H2 |
Hydrogen diatomic |
1 |
Σg |
4434 |
4161 |
0.938 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1347 |
1360 |
1.009 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
335 |
346 |
1.034 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1099 |
1133 |
1.031 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
176 |
158 |
0.895 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
2016 |
1987 |
0.986 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1497 |
1432 |
0.957 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2368 |
2269 |
0.958 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1643 |
1625 |
0.989 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2856 |
2733 |
0.957 |
10 |
10 |
|
|
1 |
Σ |
3136 |
|
|
10 |
11 |
C2 |
Carbon diatomic |
1 |
Σg |
1889 |
1827 |
0.967 |
11 |
12 |
SiH |
Silylidyne |
1 |
Σ |
2063 |
1971 |
0.956 |
12 |
13 |
Si2 |
Silicon diatomic |
1 |
Σg |
582 |
507 |
0.871 |
13 |
14 |
NH |
Imidogen |
1 |
Σ |
3321 |
3126 |
0.941 |
14 |
15 |
|
|
1 |
Σ |
3363 |
3206 |
0.953 |
14 |
16 |
CN |
Cyano radical |
1 |
Σ |
2180 |
2042 |
0.937 |
15 |
17 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2490 |
2330 |
0.936 |
16 |
18 |
|
|
1 |
Σg |
1836 |
1733 |
0.944 |
16 |
19 |
SiN |
Silicon nitride |
1 |
Σ |
1216 |
1138 |
0.936 |
17 |
20 |
PH |
phosphorus monohydride |
1 |
Σ |
2377 |
2276 |
0.958 |
18 |
21 |
|
|
1 |
Σ |
2382 |
2319 |
0.973 |
18 |
22 |
|
|
1 |
Σ |
2385 |
2319 |
0.972 |
18 |
23 |
CP |
Carbon monophosphide |
1 |
Σ |
1289 |
1226 |
0.951 |
19 |
24 |
PN |
Phosphorus mononitride |
1 |
Σ |
1463 |
1323 |
0.905 |
20 |
25 |
P2 |
Phosphorus diatomic |
1 |
Σg |
846 |
775 |
0.917 |
21 |
26 |
OH |
Hydroxyl radical |
1 |
Σ |
3778 |
3570 |
0.945 |
22 |
27 |
LiO |
lithium oxide |
1 |
Σ |
758 |
799 |
1.053 |
23 |
28 |
BeO |
beryllium oxide |
1 |
Σ |
1574 |
1435 |
0.911 |
24 |
29 |
BO |
boron monoxide |
1 |
Σ |
1930 |
1862 |
0.965 |
25 |
30 |
CO |
Carbon monoxide |
1 |
Σ |
2245 |
2143 |
0.955 |
26 |
31 |
|
|
1 |
Σ |
1829 |
|
|
26 |
32 |
NaO |
sodium monoxide |
1 |
Σ |
499 |
|
|
27 |
33 |
MgO |
magnesium oxide |
1 |
Σ |
849 |
775 |
0.913 |
28 |
34 |
SiO |
Silicon monoxide |
1 |
Σ |
1267 |
1230 |
0.970 |
29 |
35 |
HS |
Mercapto radical |
1 |
Σ |
2770 |
2599 |
0.938 |
30 |
36 |
BeS |
beryllium sulfide |
1 |
Σ |
1039 |
986 |
0.948 |
31 |
37 |
BS |
boron sulfide |
1 |
Σ |
1202 |
1167 |
0.972 |
32 |
38 |
CS |
carbon monosulfide |
1 |
Σ |
1335 |
1272 |
0.953 |
33 |
39 |
SO |
Sulfur monoxide |
1 |
Σ |
1209 |
1138 |
0.941 |
34 |
40 |
|
|
1 |
Σ |
1213 |
1054 |
0.869 |
34 |
41 |
MgS |
magnesium sulfide |
1 |
Σ |
563 |
523 |
0.930 |
35 |
42 |
AlS |
Aluminum sulfide |
1 |
Σ |
619 |
610 |
0.986 |
36 |
43 |
SiS |
silicon monosulfide |
1 |
Σ |
778 |
744 |
0.956 |
37 |
44 |
S2 |
Sulfur diatomic |
1 |
Σg |
750 |
720 |
0.960 |
38 |
45 |
HF |
Hydrogen fluoride |
1 |
Σ |
4155 |
3961 |
0.953 |
39 |
46 |
LiF |
lithium fluoride |
1 |
Σ |
859 |
896 |
1.044 |
40 |
47 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1224 |
|
|
41 |
48 |
CF |
Fluoromethylidyne |
1 |
Σ |
1328 |
1286 |
0.968 |
42 |
49 |
NF |
nitrogen fluoride |
1 |
Σ |
1191 |
1123 |
0.943 |
43 |
50 |
F2 |
Fluorine diatomic |
1 |
Σg |
1099 |
894 |
0.814 |
44 |
51 |
NaF |
sodium fluoride |
1 |
Σ |
533 |
529 |
0.992 |
45 |
52 |
MgF |
Magnesium monofluoride |
1 |
Σ |
701 |
|
|
46 |
53 |
AlF |
Aluminum monofluoride |
1 |
Σ |
768 |
793 |
1.033 |
47 |
54 |
SiF |
silicon monofluoride |
1 |
Σ |
822 |
848 |
1.031 |
48 |
55 |
PF |
phosphorus monofluoride |
1 |
Σ |
839 |
838 |
0.999 |
49 |
56 |
SF |
Monosulfur monofluoride |
1 |
Σ |
860 |
829 |
0.963 |
50 |
57 |
HCl |
Hydrogen chloride |
1 |
Σ |
2982 |
2886 |
0.968 |
51 |
58 |
LiCl |
lithium chloride |
1 |
Σ |
615 |
634 |
1.031 |
52 |
59 |
BeCl |
beryllium monochloride |
1 |
Σ |
822 |
847 |
1.030 |
53 |
60 |
BCl |
boron monochloride |
1 |
Σ |
833 |
829 |
0.995 |
54 |
61 |
CCl |
carbon monochloride |
1 |
Σ |
866 |
866 |
1.000 |
55 |
62 |
ClF |
Chlorine monofluoride |
1 |
Σ |
819 |
773 |
0.944 |
56 |
63 |
NaCl |
Sodium Chloride |
1 |
Σ |
342 |
361 |
1.055 |
57 |
64 |
MgCl |
magnesium monochloride |
1 |
Σ |
445 |
|
|
58 |
65 |
AlCl |
Aluminum monochloride |
1 |
Σ |
466 |
478 |
1.024 |
59 |
66 |
SiCl |
Clorosilylidyne |
1 |
Σ |
533 |
531 |
0.998 |
60 |
67 |
PCl |
phosphorus chloride |
1 |
Σ |
562 |
547 |
0.973 |
61 |
68 |
SCl |
sulfur monochloride |
1 |
Σ |
592 |
577 |
0.974 |
62 |
69 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
586 |
554 |
0.947 |
63 |
70 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2244 |
2159 |
0.962 |
64 |
71 |
|
|
3 |
Πu |
699 |
698 |
0.998 |
64 |
72 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1634 |
1572 |
0.962 |
65 |
73 |
|
|
3 |
Πu |
440 |
440 |
0.999 |
65 |
74 |
BH2 |
boron dihydride |
2 |
A1 |
992 |
954 |
0.962 |
66 |
75 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1864 |
1770 |
0.950 |
67 |
76 |
|
|
2 |
A1 |
767 |
760 |
0.991 |
67 |
77 |
|
|
3 |
B2 |
1900 |
1807 |
0.951 |
67 |
78 |
SiH2 |
silicon dihydride |
1 |
A1 |
2063 |
1996 |
0.968 |
68 |
79 |
|
|
2 |
A1 |
1033 |
999 |
0.968 |
68 |
80 |
|
|
3 |
B2 |
2065 |
1993 |
0.965 |
68 |
81 |
NH2 |
Amino radical |
1 |
A1 |
3409 |
3219 |
0.944 |
69 |
82 |
|
|
2 |
A1 |
1534 |
1497 |
0.976 |
69 |
83 |
|
|
3 |
B2 |
3503 |
3301 |
0.942 |
69 |
84 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3462 |
3312 |
0.957 |
70 |
85 |
|
|
2 |
Σ |
2229 |
2089 |
0.937 |
70 |
86 |
|
|
3 |
Π |
774 |
712 |
0.920 |
70 |
87 |
HNC |
hydrogen isocyanide |
1 |
Σ |
3846 |
3653 |
0.950 |
71 |
88 |
|
|
2 |
Σ |
2131 |
2029 |
0.952 |
71 |
89 |
|
|
3 |
Π |
490 |
477 |
0.973 |
71 |
90 |
PH2 |
Phosphino radical |
1 |
A1 |
2389 |
2310 |
0.967 |
72 |
91 |
|
|
2 |
A1 |
1139 |
1102 |
0.967 |
72 |
92 |
HCP |
Phosphaethyne |
1 |
Σ |
3371 |
3217 |
0.954 |
73 |
93 |
|
|
2 |
Σ |
1375 |
1278 |
0.930 |
73 |
94 |
|
|
3 |
Π |
717 |
674 |
0.940 |
73 |
95 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2167 |
2095 |
0.967 |
74 |
96 |
|
|
2 |
A' |
1262 |
1188 |
0.942 |
74 |
97 |
|
|
3 |
A' |
1014 |
986 |
0.972 |
74 |
98 |
H2O |
Water |
1 |
A1 |
3879 |
3657 |
0.943 |
75 |
99 |
|
|
2 |
A1 |
1638 |
1595 |
0.974 |
75 |
100 |
|
|
3 |
B2 |
3985 |
3756 |
0.942 |
75 |
101 |
LiOH |
lithium hydroxide |
1 |
Σ |
4070 |
3688 |
0.906 |
76 |
102 |
|
|
2 |
Σ |
882 |
871 |
0.987 |
76 |
103 |
|
|
3 |
Π |
340 |
257 |
0.753 |
76 |
104 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1249 |
1246 |
0.997 |
77 |
105 |
HBO |
Boron hydride oxide |
1 |
Σ |
2891 |
2850 |
0.986 |
78 |
106 |
|
|
2 |
Σ |
1881 |
1826 |
0.970 |
78 |
107 |
|
|
3 |
Π |
771 |
756 |
0.981 |
78 |
108 |
HCO |
Formyl radical |
1 |
A' |
2707 |
2434 |
0.899 |
79 |
109 |
|
|
2 |
A' |
1973 |
1868 |
0.947 |
79 |
110 |
|
|
3 |
A' |
1112 |
1081 |
0.972 |
79 |
111 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3681 |
3436 |
0.934 |
80 |
112 |
|
|
2 |
A' |
1464 |
1392 |
0.951 |
80 |
113 |
|
|
3 |
A' |
1238 |
1098 |
0.887 |
80 |
114 |
CO2 |
Carbon dioxide |
1 |
Σg |
1397 |
1333 |
0.954 |
81 |
115 |
|
|
2 |
Σu |
2443 |
2349 |
0.961 |
81 |
116 |
|
|
3 |
Πu |
686 |
667 |
0.972 |
81 |
117 |
N2O |
Nitrous oxide |
1 |
Σ |
2393 |
2224 |
0.929 |
82 |
118 |
|
|
2 |
Σ |
1359 |
1285 |
0.946 |
82 |
119 |
|
|
3 |
Π |
634 |
589 |
0.929 |
82 |
120 |
NaOH |
sodium hydroxide |
1 |
Σ |
4020 |
3637 |
0.905 |
83 |
121 |
|
|
2 |
Σ |
539 |
540 |
1.001 |
83 |
122 |
|
|
3 |
Π |
257 |
300 |
1.166 |
83 |
123 |
SiO2 |
silicon dioxide |
2 |
Σu |
1484 |
1416 |
0.955 |
84 |
124 |
|
|
3 |
Πu |
314 |
273 |
0.867 |
84 |
125 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2747 |
2615 |
0.952 |
85 |
126 |
|
|
2 |
A1 |
1213 |
1183 |
0.975 |
85 |
127 |
|
|
3 |
B2 |
2759 |
2626 |
0.952 |
85 |
128 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2830 |
2736 |
0.967 |
86 |
129 |
|
|
2 |
Σ |
1205 |
1172 |
0.973 |
86 |
130 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2158 |
2062 |
0.956 |
87 |
131 |
|
|
2 |
Σ |
888 |
859 |
0.967 |
87 |
132 |
|
|
3 |
Π |
538 |
520 |
0.967 |
87 |
133 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1219 |
1151 |
0.945 |
88 |
134 |
|
|
2 |
A1 |
531 |
518 |
0.975 |
88 |
135 |
|
|
3 |
B2 |
1406 |
1362 |
0.968 |
88 |
136 |
CS2 |
Carbon disulfide |
1 |
Σg |
692 |
658 |
0.951 |
89 |
137 |
|
|
2 |
Σu |
1583 |
1535 |
0.970 |
89 |
138 |
|
|
3 |
Πu |
413 |
397 |
0.960 |
89 |
139 |
SSO |
Disulfur monoxide |
1 |
A' |
1246 |
1166 |
0.936 |
90 |
140 |
|
|
2 |
A' |
718 |
679 |
0.945 |
90 |
141 |
|
|
3 |
A' |
393 |
380 |
0.966 |
90 |
142 |
HCF |
Fluoromethylene |
1 |
A' |
2790 |
2643 |
0.947 |
91 |
143 |
|
|
2 |
A' |
1446 |
1403 |
0.970 |
91 |
144 |
|
|
3 |
A' |
1236 |
1189 |
0.962 |
91 |
145 |
HOF |
Hypofluorous acid |
1 |
A' |
3804 |
3578 |
0.940 |
92 |
146 |
|
|
2 |
A' |
1443 |
1362 |
0.944 |
92 |
147 |
|
|
3 |
A' |
1036 |
893 |
0.862 |
92 |
148 |
CF2 |
Difluoromethylene |
1 |
A1 |
1254 |
1225 |
0.977 |
93 |
149 |
|
|
2 |
A1 |
682 |
667 |
0.978 |
93 |
150 |
|
|
3 |
B2 |
1143 |
1114 |
0.975 |
93 |
151 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1967 |
1844 |
0.938 |
94 |
152 |
|
|
2 |
A' |
811 |
766 |
0.945 |
94 |
153 |
|
|
3 |
A' |
555 |
520 |
0.937 |
94 |
154 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1134 |
1075 |
0.948 |
95 |
155 |
|
|
2 |
A1 |
596 |
573 |
0.961 |
95 |
156 |
|
|
3 |
B2 |
978 |
942 |
0.964 |
95 |
157 |
F2O |
Difluorine monoxide |
1 |
A1 |
1059 |
928 |
0.876 |
96 |
158 |
|
|
2 |
A1 |
510 |
461 |
0.904 |
96 |
159 |
|
|
3 |
B2 |
945 |
831 |
0.879 |
96 |
160 |
HOCl |
hypochlorous acid |
1 |
A' |
3850 |
3609 |
0.938 |
97 |
161 |
|
|
2 |
A' |
1284 |
1239 |
0.964 |
97 |
162 |
|
|
3 |
A' |
782 |
724 |
0.926 |
97 |
163 |
ClCN |
chlorocyanogen |
1 |
Σ |
2354 |
2216 |
0.941 |
98 |
164 |
|
|
2 |
Σ |
754 |
744 |
0.987 |
98 |
165 |
|
|
3 |
Π |
411 |
378 |
0.921 |
98 |
166 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1939 |
1800 |
0.928 |
99 |
167 |
|
|
2 |
A' |
636 |
596 |
0.937 |
99 |
168 |
|
|
3 |
A' |
353 |
332 |
0.941 |
99 |
169 |
OClO |
Chlorine dioxide |
1 |
A1 |
1010 |
946 |
0.936 |
100 |
170 |
|
|
2 |
A1 |
465 |
448 |
0.962 |
100 |
171 |
|
|
3 |
B2 |
1155 |
1110 |
0.962 |
100 |
172 |
CCl2 |
dichloromethylene |
1 |
A1 |
738 |
730 |
0.989 |
101 |
173 |
|
|
2 |
A1 |
341 |
335 |
0.982 |
101 |
174 |
|
|
3 |
B2 |
771 |
758 |
0.983 |
101 |
175 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
691 |
639 |
0.925 |
102 |
176 |
|
|
2 |
A1 |
307 |
296 |
0.964 |
102 |
177 |
|
|
3 |
B2 |
746 |
686 |
0.920 |
102 |
178 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
524 |
522 |
0.995 |
103 |
179 |
|
|
2 |
A1 |
198 |
201 |
1.011 |
103 |
180 |
|
|
3 |
B2 |
515 |
509 |
0.989 |
103 |
181 |
ClS2 |
Sulfur chloride |
1 |
A' |
661 |
662 |
1.002 |
104 |
182 |
|
|
2 |
A' |
469 |
450 |
0.960 |
104 |
183 |
|
|
3 |
A' |
221 |
196 |
0.886 |
104 |
184 |
BH3 |
boron trihydride |
2 |
A2" |
1144 |
1148 |
1.003 |
105 |
185 |
|
|
3 |
E' |
2678 |
2602 |
0.972 |
105 |
186 |
|
|
4 |
E' |
1205 |
1197 |
0.993 |
105 |
187 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1941 |
1900 |
0.979 |
106 |
188 |
|
|
2 |
A2" |
711 |
698 |
0.982 |
106 |
189 |
|
|
3 |
E' |
1945 |
1883 |
0.968 |
106 |
190 |
|
|
4 |
E' |
786 |
783 |
0.997 |
106 |
191 |
C2H2 |
Acetylene |
1 |
Σg |
3530 |
3374 |
0.956 |
107 |
192 |
|
|
2 |
Σg |
2090 |
1974 |
0.945 |
107 |
193 |
|
|
3 |
Σu |
3421 |
3289 |
0.961 |
107 |
194 |
|
|
4 |
Πg |
694 |
612 |
0.882 |
107 |
195 |
|
|
5 |
Πu |
781 |
730 |
0.935 |
107 |
196 |
SiH3 |
Silyl radical |
1 |
A1 |
2199 |
2136 |
0.971 |
108 |
197 |
|
|
2 |
A1 |
762 |
728 |
0.955 |
108 |
198 |
|
|
3 |
E |
2233 |
2185 |
0.979 |
108 |
199 |
|
|
4 |
E |
933 |
922 |
0.988 |
108 |
200 |
NH3 |
Ammonia |
1 |
A1 |
3511 |
3337 |
0.950 |
109 |
201 |
|
|
2 |
A1 |
1022 |
950 |
0.929 |
109 |
202 |
|
|
3 |
E |
3639 |
3444 |
0.946 |
109 |
203 |
|
|
4 |
E |
1668 |
1627 |
0.975 |
109 |
204 |
C2N2 |
Cyanogen |
1 |
Σg |
2493 |
2330 |
0.935 |
110 |
205 |
|
|
2 |
Σg |
883 |
846 |
0.958 |
110 |
206 |
|
|
3 |
Σu |
2311 |
2158 |
0.934 |
110 |
207 |
|
|
4 |
Πg |
555 |
503 |
0.907 |
110 |
208 |
|
|
5 |
Πu |
252 |
234 |
0.927 |
110 |
209 |
PH3 |
Phosphine |
1 |
A1 |
2409 |
2323 |
0.964 |
111 |
210 |
|
|
2 |
A1 |
1014 |
992 |
0.979 |
111 |
211 |
|
|
3 |
E |
2421 |
2328 |
0.962 |
111 |
212 |
|
|
4 |
E |
1148 |
1118 |
0.974 |
111 |
213 |
P4 |
Phosphorus tetramer |
1 |
A1 |
596 |
601 |
1.008 |
112 |
214 |
|
|
2 |
E |
404 |
361 |
0.893 |
112 |
215 |
|
|
3 |
T2 |
517 |
467 |
0.903 |
112 |
216 |
H2CO |
Formaldehyde |
1 |
A1 |
2911 |
2782 |
0.956 |
113 |
217 |
|
|
2 |
A1 |
1852 |
1746 |
0.943 |
113 |
218 |
|
|
3 |
A1 |
1537 |
1500 |
0.976 |
113 |
219 |
|
|
4 |
B1 |
1210 |
1167 |
0.965 |
113 |
220 |
|
|
5 |
B2 |
2971 |
2843 |
0.957 |
113 |
221 |
|
|
6 |
B2 |
1272 |
1249 |
0.982 |
113 |
222 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3840 |
3599 |
0.937 |
114 |
223 |
|
|
2 |
A |
1469 |
1402 |
0.954 |
114 |
224 |
|
|
3 |
A |
1018 |
877 |
0.862 |
114 |
225 |
|
|
4 |
A |
397 |
371 |
0.933 |
114 |
226 |
|
|
5 |
B |
3839 |
3608 |
0.940 |
114 |
227 |
|
|
6 |
B |
1362 |
1266 |
0.930 |
114 |
228 |
HNCO |
Isocyanic acid |
1 |
A' |
3721 |
3538 |
0.951 |
115 |
229 |
|
|
2 |
A' |
2357 |
2269 |
0.963 |
115 |
230 |
|
|
3 |
A' |
1357 |
1327 |
0.978 |
115 |
231 |
|
|
4 |
A' |
797 |
777 |
0.975 |
115 |
232 |
|
|
5 |
A' |
572 |
577 |
1.010 |
115 |
233 |
|
|
6 |
A" |
648 |
656 |
1.013 |
115 |
234 |
HNO2 |
Nitrous acid |
1 |
A' |
3832 |
3591 |
0.937 |
116 |
235 |
|
|
2 |
A' |
1810 |
1700 |
0.939 |
116 |
236 |
|
|
3 |
A' |
1338 |
1263 |
0.944 |
116 |
237 |
|
|
4 |
A' |
880 |
790 |
0.897 |
116 |
238 |
|
|
5 |
A' |
677 |
596 |
0.880 |
116 |
239 |
|
|
6 |
A" |
596 |
543 |
0.911 |
116 |
240 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2151 |
2060 |
0.958 |
117 |
241 |
|
|
2 |
Σg |
607 |
585 |
0.964 |
117 |
242 |
|
|
3 |
Σu |
1981 |
1898 |
0.958 |
117 |
243 |
|
|
4 |
Πg |
490 |
410 |
0.837 |
117 |
244 |
|
|
5 |
Πu |
217 |
213 |
0.980 |
117 |
245 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3093 |
2971 |
0.961 |
118 |
246 |
|
|
2 |
A1 |
1501 |
1456 |
0.970 |
118 |
247 |
|
|
3 |
A1 |
1115 |
1059 |
0.950 |
118 |
248 |
|
|
4 |
B1 |
1047 |
990 |
0.945 |
118 |
249 |
|
|
5 |
B2 |
3180 |
3025 |
0.951 |
118 |
250 |
|
|
6 |
B2 |
1008 |
991 |
0.983 |
118 |
251 |
H2S2 |
Disulfane |
1 |
A |
2677 |
2556 |
0.955 |
119 |
252 |
|
|
2 |
A |
897 |
882 |
0.983 |
119 |
253 |
|
|
3 |
A |
527 |
515 |
0.976 |
119 |
254 |
|
|
4 |
A |
438 |
417 |
0.954 |
119 |
255 |
|
|
5 |
B |
2679 |
2559 |
0.955 |
119 |
256 |
|
|
6 |
B |
896 |
878 |
0.979 |
119 |
257 |
SO3 |
Sulfur trioxide |
1 |
A1' |
1094 |
1065 |
0.973 |
120 |
258 |
|
|
2 |
A2" |
498 |
498 |
1.001 |
120 |
259 |
|
|
3 |
E' |
1417 |
1391 |
0.982 |
120 |
260 |
|
|
4 |
E' |
526 |
530 |
1.008 |
120 |
261 |
BHF2 |
Difluoroborane |
1 |
A1 |
2676 |
2621 |
0.979 |
121 |
262 |
|
|
2 |
A1 |
1167 |
1164 |
0.997 |
121 |
263 |
|
|
3 |
A1 |
537 |
542 |
1.010 |
121 |
264 |
|
|
4 |
B1 |
919 |
924 |
1.005 |
121 |
265 |
|
|
5 |
B2 |
1412 |
1402 |
0.993 |
121 |
266 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1994 |
1928 |
0.967 |
122 |
267 |
|
|
2 |
A1 |
991 |
965 |
0.973 |
122 |
268 |
|
|
3 |
A1 |
588 |
584 |
0.992 |
122 |
269 |
|
|
4 |
B1 |
794 |
774 |
0.975 |
122 |
270 |
|
|
5 |
B2 |
1267 |
1249 |
0.986 |
122 |
271 |
|
|
6 |
B2 |
628 |
626 |
0.997 |
122 |
272 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
888 |
888 |
1.000 |
123 |
273 |
|
|
2 |
A2" |
684 |
691 |
1.010 |
123 |
274 |
|
|
3 |
E' |
1453 |
1449 |
0.997 |
123 |
275 |
|
|
4 |
E' |
474 |
480 |
1.012 |
123 |
276 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1657 |
1523 |
0.919 |
124 |
277 |
|
|
2 |
Ag |
1100 |
1018 |
0.925 |
124 |
278 |
|
|
3 |
Ag |
640 |
603 |
0.943 |
124 |
279 |
|
|
4 |
Au |
380 |
364 |
0.957 |
124 |
280 |
|
|
5 |
Bu |
1057 |
991 |
0.937 |
124 |
281 |
|
|
6 |
Bu |
435 |
423 |
0.973 |
124 |
282 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1098 |
1089 |
0.992 |
125 |
283 |
|
|
2 |
A1 |
708 |
701 |
0.990 |
125 |
284 |
|
|
3 |
E |
1272 |
1260 |
0.991 |
125 |
285 |
|
|
4 |
E |
513 |
509 |
0.991 |
125 |
286 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1084 |
1032 |
0.952 |
126 |
287 |
|
|
2 |
A1 |
679 |
647 |
0.953 |
126 |
288 |
|
|
3 |
E |
941 |
907 |
0.964 |
126 |
289 |
|
|
4 |
E |
512 |
492 |
0.962 |
126 |
290 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
679 |
690 |
1.016 |
127 |
291 |
|
|
2 |
A2" |
289 |
297 |
1.028 |
127 |
292 |
|
|
3 |
E' |
934 |
935 |
1.001 |
127 |
293 |
|
|
4 |
E' |
242 |
263 |
1.085 |
127 |
294 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
881 |
892 |
1.012 |
128 |
295 |
|
|
2 |
A1 |
473 |
487 |
1.030 |
128 |
296 |
|
|
3 |
E |
843 |
860 |
1.020 |
128 |
297 |
|
|
4 |
E |
337 |
344 |
1.020 |
128 |
298 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2695 |
2617 |
0.971 |
129 |
299 |
|
|
2 |
A1 |
737 |
740 |
1.004 |
129 |
300 |
|
|
4 |
B1 |
776 |
784 |
1.010 |
129 |
301 |
|
|
5 |
B2 |
1095 |
1089 |
0.994 |
129 |
302 |
|
|
6 |
B2 |
900 |
892 |
0.991 |
129 |
303 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1378 |
1267 |
0.920 |
130 |
304 |
|
|
2 |
A1 |
827 |
793 |
0.958 |
130 |
305 |
|
|
3 |
A1 |
413 |
364 |
0.882 |
130 |
306 |
|
|
4 |
B1 |
697 |
652 |
0.936 |
130 |
307 |
|
|
5 |
B2 |
1798 |
1684 |
0.937 |
130 |
308 |
|
|
6 |
B2 |
432 |
408 |
0.946 |
130 |
309 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
787 |
752 |
0.955 |
131 |
310 |
|
|
2 |
A1 |
552 |
529 |
0.959 |
131 |
311 |
|
|
3 |
A1 |
328 |
328 |
1.000 |
131 |
312 |
|
|
4 |
B1 |
333 |
328 |
0.985 |
131 |
313 |
|
|
5 |
B2 |
710 |
702 |
0.989 |
131 |
314 |
|
|
6 |
B2 |
436 |
442 |
1.013 |
131 |
315 |
C2Cl2 |
dichloroacetylene |
4 |
Πg |
395 |
333 |
0.843 |
132 |
316 |
|
|
5 |
Πu |
179 |
172 |
0.963 |
132 |
317 |
CCl2O |
Phosgene |
1 |
A1 |
1911 |
1827 |
0.956 |
133 |
318 |
|
|
2 |
A1 |
579 |
567 |
0.979 |
133 |
319 |
|
|
3 |
A1 |
306 |
285 |
0.933 |
133 |
320 |
|
|
4 |
B1 |
600 |
580 |
0.966 |
133 |
321 |
|
|
5 |
B2 |
857 |
849 |
0.991 |
133 |
322 |
|
|
6 |
B2 |
449 |
440 |
0.980 |
133 |
323 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
817 |
820 |
1.003 |
134 |
324 |
|
|
2 |
A1 |
505 |
500 |
0.990 |
134 |
325 |
|
|
3 |
A1 |
233 |
250 |
1.071 |
134 |
326 |
|
|
4 |
B1 |
260 |
260 |
0.998 |
134 |
327 |
|
|
5 |
B2 |
934 |
900 |
0.963 |
134 |
328 |
|
|
6 |
B2 |
182 |
200 |
1.099 |
134 |
329 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
473 |
471 |
0.996 |
135 |
330 |
|
|
2 |
A2" |
453 |
460 |
1.015 |
135 |
331 |
|
|
3 |
E' |
958 |
956 |
0.998 |
135 |
332 |
|
|
4 |
E' |
254 |
243 |
0.958 |
135 |
333 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
855 |
850 |
0.995 |
136 |
334 |
|
|
2 |
A1 |
432 |
450 |
1.041 |
136 |
335 |
|
|
3 |
A1 |
149 |
150 |
1.004 |
136 |
336 |
|
|
4 |
B1 |
229 |
220 |
0.959 |
136 |
337 |
|
|
5 |
B2 |
624 |
610 |
0.978 |
136 |
338 |
|
|
6 |
B2 |
198 |
200 |
1.008 |
136 |
339 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
380 |
375 |
0.986 |
137 |
340 |
|
|
2 |
A2" |
204 |
183 |
0.899 |
137 |
341 |
|
|
3 |
E' |
609 |
595 |
0.978 |
137 |
342 |
|
|
4 |
E' |
143 |
150 |
1.046 |
137 |
343 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
526 |
504 |
0.959 |
138 |
344 |
|
|
2 |
A1 |
261 |
252 |
0.967 |
138 |
345 |
|
|
3 |
E |
513 |
482 |
0.940 |
138 |
346 |
|
|
4 |
E |
187 |
198 |
1.056 |
138 |
347 |
ClSSCl |
Disulfur dichloride |
1 |
A |
538 |
546 |
1.016 |
139 |
348 |
|
|
2 |
A |
492 |
466 |
0.947 |
139 |
349 |
|
|
3 |
A |
208 |
202 |
0.973 |
139 |
350 |
|
|
4 |
A |
94 |
95 |
1.014 |
139 |
351 |
|
|
5 |
B |
482 |
461 |
0.956 |
139 |
352 |
|
|
6 |
B |
242 |
244 |
1.007 |
139 |
353 |
CH4 |
Methane |
1 |
A1 |
3043 |
2917 |
0.959 |
140 |
354 |
|
|
2 |
E |
1564 |
1534 |
0.981 |
140 |
355 |
|
|
3 |
T2 |
3162 |
3019 |
0.955 |
140 |
356 |
|
|
4 |
T2 |
1343 |
1306 |
0.973 |
140 |
357 |
SiH4 |
Silane |
1 |
A1 |
2230 |
2187 |
0.981 |
141 |
358 |
|
|
2 |
E |
981 |
975 |
0.994 |
141 |
359 |
|
|
3 |
T2 |
2233 |
2191 |
0.981 |
141 |
360 |
|
|
4 |
T2 |
918 |
914 |
0.996 |
141 |
361 |
CH2NH |
Methanimine |
1 |
A' |
3488 |
3263 |
0.936 |
142 |
362 |
|
|
2 |
A' |
3143 |
3024 |
0.962 |
142 |
363 |
|
|
3 |
A' |
3045 |
2914 |
0.957 |
142 |
364 |
|
|
4 |
A' |
1733 |
1638 |
0.945 |
142 |
365 |
|
|
5 |
A' |
1496 |
1452 |
0.970 |
142 |
366 |
|
|
6 |
A' |
1374 |
1344 |
0.978 |
142 |
367 |
|
|
7 |
A' |
1082 |
1058 |
0.978 |
142 |
368 |
|
|
8 |
A" |
1172 |
1127 |
0.962 |
142 |
369 |
|
|
9 |
A" |
1112 |
1061 |
0.954 |
142 |
370 |
NH2OH |
hydroxylamine |
1 |
A' |
3895 |
3650 |
0.937 |
143 |
371 |
|
|
2 |
A' |
3490 |
3294 |
0.944 |
143 |
372 |
|
|
3 |
A' |
1681 |
1605 |
0.955 |
143 |
373 |
|
|
4 |
A' |
1413 |
1353 |
0.958 |
143 |
374 |
|
|
5 |
A' |
1151 |
1115 |
0.970 |
143 |
375 |
|
|
6 |
A' |
985 |
895 |
0.909 |
143 |
376 |
|
|
7 |
A" |
3571 |
3359 |
0.941 |
143 |
377 |
|
|
8 |
A" |
1348 |
1295 |
0.960 |
143 |
378 |
|
|
9 |
A" |
428 |
386 |
0.902 |
143 |
379 |
CH2CO |
Ketene |
1 |
A1 |
3203 |
3070 |
0.958 |
144 |
380 |
|
|
2 |
A1 |
2249 |
2152 |
0.957 |
144 |
381 |
|
|
3 |
A1 |
1421 |
1388 |
0.977 |
144 |
382 |
|
|
4 |
A1 |
1183 |
1118 |
0.945 |
144 |
383 |
|
|
5 |
B1 |
602 |
588 |
0.977 |
144 |
384 |
|
|
6 |
B1 |
569 |
528 |
0.928 |
144 |
385 |
|
|
7 |
B2 |
3304 |
3166 |
0.958 |
144 |
386 |
|
|
8 |
B2 |
995 |
977 |
0.982 |
144 |
387 |
|
|
9 |
B2 |
447 |
433 |
0.969 |
144 |
388 |
HCOOH |
Formic acid |
1 |
A' |
3806 |
3570 |
0.938 |
145 |
389 |
|
|
2 |
A' |
3078 |
2943 |
0.956 |
145 |
390 |
|
|
3 |
A' |
1849 |
1770 |
0.957 |
145 |
391 |
|
|
4 |
A' |
1411 |
1387 |
0.983 |
145 |
392 |
|
|
5 |
A' |
1320 |
1229 |
0.931 |
145 |
393 |
|
|
6 |
A' |
1155 |
1105 |
0.957 |
145 |
394 |
|
|
7 |
A' |
640 |
625 |
0.977 |
145 |
395 |
|
|
8 |
A" |
1067 |
1033 |
0.968 |
145 |
396 |
|
|
9 |
A" |
681 |
638 |
0.937 |
145 |
397 |
HNO3 |
Nitric acid |
1 |
A' |
3794 |
3550 |
0.936 |
146 |
398 |
|
|
2 |
A' |
1794 |
1708 |
0.952 |
146 |
399 |
|
|
3 |
A' |
1391 |
1331 |
0.957 |
146 |
400 |
|
|
4 |
A' |
1351 |
1325 |
0.981 |
146 |
401 |
|
|
5 |
A' |
956 |
879 |
0.919 |
146 |
402 |
|
|
6 |
A' |
692 |
647 |
0.935 |
146 |
403 |
|
|
7 |
A' |
609 |
579 |
0.950 |
146 |
404 |
|
|
8 |
A" |
810 |
762 |
0.941 |
146 |
405 |
|
|
9 |
A" |
502 |
456 |
0.908 |
146 |
406 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2306 |
2196 |
0.952 |
147 |
407 |
|
|
2 |
Σg |
792 |
786 |
0.992 |
147 |
408 |
|
|
3 |
Σu |
2410 |
2258 |
0.937 |
147 |
409 |
|
|
4 |
Σu |
1679 |
1573 |
0.937 |
147 |
410 |
|
|
5 |
Πg |
604 |
573 |
0.948 |
147 |
411 |
|
|
6 |
Πu |
577 |
550 |
0.953 |
147 |
412 |
|
|
7 |
Πu |
23i |
61 |
-2.630 |
147 |
413 |
CH3F |
Methyl fluoride |
1 |
A1 |
3047 |
2930 |
0.962 |
148 |
414 |
|
|
2 |
A1 |
1491 |
1464 |
0.982 |
148 |
415 |
|
|
3 |
A1 |
1077 |
1049 |
0.974 |
148 |
416 |
|
|
4 |
E |
3135 |
3006 |
0.959 |
148 |
417 |
|
|
5 |
E |
1501 |
1467 |
0.977 |
148 |
418 |
|
|
6 |
E |
1202 |
1182 |
0.983 |
148 |
419 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3064 |
2948 |
0.962 |
149 |
420 |
|
|
2 |
A1 |
1539 |
1508 |
0.980 |
149 |
421 |
|
|
3 |
A1 |
1133 |
1111 |
0.981 |
149 |
422 |
|
|
4 |
A1 |
535 |
529 |
0.988 |
149 |
423 |
|
|
5 |
A2 |
1281 |
1262 |
0.985 |
149 |
424 |
|
|
6 |
B1 |
3135 |
3014 |
0.961 |
149 |
425 |
|
|
7 |
B1 |
1190 |
1178 |
0.990 |
149 |
426 |
|
|
8 |
B2 |
1463 |
1435 |
0.981 |
149 |
427 |
|
|
9 |
B2 |
1105 |
1090 |
0.987 |
149 |
428 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3136 |
3036 |
0.968 |
150 |
429 |
|
|
2 |
A1 |
1155 |
1117 |
0.967 |
150 |
430 |
|
|
3 |
A1 |
707 |
700 |
0.991 |
150 |
431 |
|
|
4 |
E |
1399 |
1372 |
0.981 |
150 |
432 |
|
|
5 |
E |
1167 |
1152 |
0.987 |
150 |
433 |
|
|
6 |
E |
511 |
507 |
0.993 |
150 |
434 |
FNO3 |
Fluorine nitrate |
1 |
A' |
1863 |
1759 |
0.944 |
151 |
435 |
|
|
2 |
A' |
1387 |
1301 |
0.938 |
151 |
436 |
|
|
3 |
A' |
1065 |
928 |
0.872 |
151 |
437 |
|
|
4 |
A' |
848 |
804 |
0.948 |
151 |
438 |
|
|
5 |
A' |
701 |
633 |
0.903 |
151 |
439 |
|
|
6 |
A' |
506 |
455 |
0.899 |
151 |
440 |
|
|
7 |
A' |
329 |
303 |
0.921 |
151 |
441 |
|
|
8 |
A" |
758 |
709 |
0.935 |
151 |
442 |
|
|
9 |
A" |
159 |
152 |
0.958 |
151 |
443 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
922 |
909 |
0.985 |
152 |
444 |
|
|
2 |
E |
437 |
435 |
0.994 |
152 |
445 |
|
|
3 |
T2 |
1283 |
1283 |
1.000 |
152 |
446 |
|
|
4 |
T2 |
634 |
631 |
0.996 |
152 |
447 |
SiH3F |
monofluorosilane |
1 |
A1 |
2255 |
2206 |
0.978 |
153 |
448 |
|
|
2 |
A1 |
985 |
990 |
1.005 |
153 |
449 |
|
|
3 |
A1 |
870 |
872 |
1.003 |
153 |
450 |
|
|
4 |
E |
2257 |
2196 |
0.973 |
153 |
451 |
|
|
5 |
E |
964 |
956 |
0.992 |
153 |
452 |
|
|
6 |
E |
724 |
728 |
1.005 |
153 |
453 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
780 |
800 |
1.026 |
154 |
454 |
|
|
2 |
E |
254 |
268 |
1.053 |
154 |
455 |
|
|
3 |
T2 |
1012 |
1032 |
1.019 |
154 |
456 |
|
|
4 |
T2 |
380 |
389 |
1.024 |
154 |
457 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1414 |
1417 |
1.002 |
155 |
458 |
|
|
2 |
A1 |
848 |
873 |
1.029 |
155 |
459 |
|
|
3 |
A1 |
466 |
472 |
1.012 |
155 |
460 |
|
|
4 |
E |
960 |
991 |
1.032 |
155 |
461 |
|
|
5 |
E |
460 |
482 |
1.047 |
155 |
462 |
|
|
6 |
E |
322 |
336 |
1.043 |
155 |
463 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3090 |
2966 |
0.960 |
156 |
464 |
|
|
2 |
A1 |
1388 |
1355 |
0.976 |
156 |
465 |
|
|
3 |
A1 |
749 |
732 |
0.978 |
156 |
466 |
|
|
4 |
E |
3193 |
3042 |
0.953 |
156 |
467 |
|
|
5 |
E |
1489 |
1455 |
0.977 |
156 |
468 |
|
|
6 |
E |
1035 |
1015 |
0.981 |
156 |
469 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2248 |
2201 |
0.979 |
157 |
470 |
|
|
2 |
A1 |
947 |
949 |
1.002 |
157 |
471 |
|
|
3 |
A1 |
549 |
551 |
1.004 |
157 |
472 |
|
|
4 |
E |
2257 |
2195 |
0.973 |
157 |
473 |
|
|
5 |
E |
955 |
954 |
0.999 |
157 |
474 |
|
|
6 |
E |
659 |
664 |
1.007 |
157 |
475 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3140 |
2999 |
0.955 |
158 |
476 |
|
|
2 |
A1 |
1472 |
1467 |
0.997 |
158 |
477 |
|
|
3 |
A1 |
727 |
717 |
0.987 |
158 |
478 |
|
|
4 |
A1 |
285 |
282 |
0.988 |
158 |
479 |
|
|
5 |
A2 |
1185 |
1153 |
0.973 |
158 |
480 |
|
|
6 |
B1 |
3218 |
3040 |
0.945 |
158 |
481 |
|
|
7 |
B1 |
909 |
898 |
0.988 |
158 |
482 |
|
|
8 |
B2 |
1299 |
1268 |
0.976 |
158 |
483 |
|
|
9 |
B2 |
770 |
758 |
0.984 |
158 |
484 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1106 |
1105 |
0.999 |
159 |
485 |
|
|
2 |
A1 |
793 |
781 |
0.985 |
159 |
486 |
|
|
3 |
A1 |
472 |
476 |
1.007 |
159 |
487 |
|
|
4 |
E |
1233 |
1212 |
0.983 |
159 |
488 |
|
|
5 |
E |
566 |
563 |
0.995 |
159 |
489 |
|
|
6 |
E |
347 |
350 |
1.007 |
159 |
490 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2251 |
2224 |
0.988 |
160 |
491 |
|
|
2 |
A1 |
953 |
954 |
1.001 |
160 |
492 |
|
|
3 |
A1 |
529 |
527 |
0.996 |
160 |
493 |
|
|
4 |
A1 |
185 |
188 |
1.017 |
160 |
494 |
|
|
5 |
A2 |
716 |
710 |
0.992 |
160 |
495 |
|
|
6 |
B1 |
2263 |
2237 |
0.989 |
160 |
496 |
|
|
7 |
B1 |
595 |
602 |
1.012 |
160 |
497 |
|
|
8 |
B2 |
877 |
876 |
0.998 |
160 |
498 |
|
|
9 |
B2 |
590 |
590 |
1.001 |
160 |
499 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
1073 |
1061 |
0.989 |
161 |
500 |
|
|
2 |
A1 |
713 |
715 |
1.003 |
161 |
501 |
|
|
3 |
A1 |
538 |
549 |
1.020 |
161 |
502 |
|
|
4 |
E |
1319 |
1315 |
0.997 |
161 |
503 |
|
|
5 |
E |
576 |
589 |
1.023 |
161 |
504 |
|
|
6 |
E |
391 |
405 |
1.035 |
161 |
505 |
CHCl3 |
Chloroform |
1 |
A1 |
3196 |
3034 |
0.949 |
162 |
506 |
|
|
2 |
A1 |
683 |
680 |
0.996 |
162 |
507 |
|
|
3 |
A1 |
371 |
366 |
0.987 |
162 |
508 |
|
|
4 |
E |
1248 |
1220 |
0.978 |
162 |
509 |
|
|
5 |
E |
780 |
774 |
0.992 |
162 |
510 |
|
|
6 |
E |
262 |
260 |
0.992 |
162 |
511 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1125 |
1101 |
0.979 |
163 |
512 |
|
|
2 |
A1 |
677 |
667 |
0.985 |
163 |
513 |
|
|
3 |
A1 |
458 |
458 |
1.000 |
163 |
514 |
|
|
4 |
A1 |
261 |
262 |
1.004 |
163 |
515 |
|
|
5 |
A2 |
323 |
322 |
0.998 |
163 |
516 |
|
|
6 |
B1 |
902 |
902 |
1.000 |
163 |
517 |
|
|
7 |
B1 |
438 |
437 |
0.998 |
163 |
518 |
|
|
8 |
B2 |
1191 |
1159 |
0.973 |
163 |
519 |
|
|
9 |
B2 |
439 |
446 |
1.017 |
163 |
520 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1123 |
1085 |
0.967 |
164 |
521 |
|
|
2 |
A1 |
540 |
535 |
0.991 |
164 |
522 |
|
|
3 |
A1 |
350 |
350 |
1.000 |
164 |
523 |
|
|
4 |
E |
838 |
847 |
1.011 |
164 |
524 |
|
|
5 |
E |
402 |
394 |
0.980 |
164 |
525 |
|
|
6 |
E |
243 |
241 |
0.991 |
164 |
526 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1223 |
1205 |
0.985 |
165 |
527 |
|
|
2 |
A1 |
567 |
577 |
1.017 |
165 |
528 |
|
|
3 |
A1 |
402 |
408 |
1.015 |
165 |
529 |
|
|
4 |
A1 |
203 |
218 |
1.071 |
165 |
530 |
|
|
5 |
A2 |
273 |
282 |
1.033 |
165 |
531 |
|
|
6 |
B1 |
590 |
586 |
0.993 |
165 |
532 |
|
|
7 |
B1 |
383 |
388 |
1.014 |
165 |
533 |
|
|
8 |
B2 |
1462 |
1434 |
0.981 |
165 |
534 |
|
|
9 |
B2 |
355 |
362 |
1.021 |
165 |
535 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2313 |
2261 |
0.978 |
166 |
536 |
|
|
2 |
A1 |
498 |
499 |
1.003 |
166 |
537 |
|
|
3 |
A1 |
250 |
254 |
1.018 |
166 |
538 |
|
|
4 |
E |
806 |
811 |
1.007 |
166 |
539 |
|
|
5 |
E |
603 |
600 |
0.994 |
166 |
540 |
|
|
6 |
E |
172 |
176 |
1.024 |
166 |
541 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
467 |
459 |
0.983 |
167 |
542 |
|
|
2 |
E |
219 |
217 |
0.992 |
167 |
543 |
|
|
3 |
T2 |
793 |
776 |
0.979 |
167 |
544 |
|
|
4 |
T2 |
318 |
314 |
0.989 |
167 |
545 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1340 |
1322 |
0.987 |
168 |
546 |
|
|
2 |
A1 |
484 |
481 |
0.993 |
168 |
547 |
|
|
3 |
A1 |
262 |
266 |
1.015 |
168 |
548 |
|
|
4 |
E |
595 |
590 |
0.992 |
168 |
549 |
|
|
5 |
E |
332 |
333 |
1.004 |
168 |
550 |
|
|
6 |
E |
185 |
187 |
1.008 |
168 |
551 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
417 |
424 |
1.018 |
169 |
552 |
|
|
2 |
E |
144 |
150 |
1.043 |
169 |
553 |
|
|
3 |
T2 |
611 |
621 |
1.017 |
169 |
554 |
|
|
4 |
T2 |
218 |
221 |
1.015 |
169 |
555 |
C2H4 |
Ethylene |
1 |
Ag |
3164 |
3026 |
0.956 |
170 |
556 |
|
|
2 |
Ag |
1712 |
1623 |
0.948 |
170 |
557 |
|
|
3 |
Ag |
1391 |
1342 |
0.965 |
170 |
558 |
|
|
4 |
Au |
1066 |
1023 |
0.959 |
170 |
559 |
|
|
5 |
B1u |
3145 |
2989 |
0.950 |
170 |
560 |
|
|
6 |
B1u |
1479 |
1444 |
0.976 |
170 |
561 |
|
|
7 |
B2g |
1003 |
940 |
0.937 |
170 |
562 |
|
|
8 |
B2u |
3250 |
3105 |
0.955 |
170 |
563 |
|
|
9 |
B2u |
839 |
826 |
0.985 |
170 |
564 |
|
|
10 |
B3g |
3224 |
3086 |
0.957 |
170 |
565 |
|
|
11 |
B3g |
1249 |
1217 |
0.974 |
170 |
566 |
|
|
12 |
B3u |
989 |
949 |
0.959 |
170 |
567 |
C3H3 |
Propargyl radical |
1 |
A1 |
3464 |
3322 |
0.959 |
171 |
568 |
|
|
6 |
B1 |
685 |
687 |
1.004 |
171 |
569 |
|
|
7 |
B1 |
489 |
490 |
1.003 |
171 |
570 |
C4H2 |
Diacetylene |
6 |
Πg |
670 |
627 |
0.936 |
172 |
571 |
|
|
7 |
Πg |
530 |
482 |
0.909 |
172 |
572 |
|
|
8 |
Πu |
678 |
630 |
0.929 |
172 |
573 |
|
|
9 |
Πu |
228 |
231 |
1.013 |
172 |
574 |
N2H4 |
Hydrazine |
1 |
A |
3612 |
3398 |
0.941 |
173 |
575 |
|
|
2 |
A |
3518 |
3329 |
0.946 |
173 |
576 |
|
|
3 |
A |
1694 |
1642 |
0.969 |
173 |
577 |
|
|
4 |
A |
1336 |
1275 |
0.954 |
173 |
578 |
|
|
5 |
A |
1144 |
1076 |
0.941 |
173 |
579 |
|
|
6 |
A |
818 |
780 |
0.953 |
173 |
580 |
|
|
7 |
A |
438 |
377 |
0.861 |
173 |
581 |
|
|
8 |
B |
3616 |
3350 |
0.926 |
173 |
582 |
|
|
9 |
B |
3510 |
3314 |
0.944 |
173 |
583 |
|
|
10 |
B |
1681 |
1628 |
0.968 |
173 |
584 |
|
|
11 |
B |
1308 |
1275 |
0.975 |
173 |
585 |
|
|
12 |
B |
965 |
966 |
1.001 |
173 |
586 |
CH3CN |
Acetonitrile |
1 |
A1 |
3075 |
2954 |
0.961 |
174 |
587 |
|
|
2 |
A1 |
2401 |
2267 |
0.944 |
174 |
588 |
|
|
3 |
A1 |
1416 |
1385 |
0.978 |
174 |
589 |
|
|
4 |
A1 |
937 |
920 |
0.982 |
174 |
590 |
|
|
5 |
E |
3157 |
3009 |
0.953 |
174 |
591 |
|
|
6 |
E |
1481 |
1448 |
0.978 |
174 |
592 |
|
|
7 |
E |
1066 |
1041 |
0.976 |
174 |
593 |
|
|
8 |
E |
387 |
362 |
0.937 |
174 |
594 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2466 |
2290 |
0.929 |
175 |
595 |
|
|
2 |
Σg |
2271 |
2119 |
0.933 |
175 |
596 |
|
|
3 |
Σg |
616 |
692 |
1.124 |
175 |
597 |
|
|
4 |
Σu |
2403 |
2241 |
0.933 |
175 |
598 |
|
|
5 |
Σu |
1181 |
1154 |
0.977 |
175 |
599 |
|
|
6 |
Πg |
572 |
504 |
0.881 |
175 |
600 |
|
|
7 |
Πg |
282 |
263 |
0.932 |
175 |
601 |
|
|
8 |
Πu |
513 |
472 |
0.920 |
175 |
602 |
|
|
9 |
Πu |
112 |
107 |
0.959 |
175 |
603 |
CH3OH |
Methyl alcohol |
1 |
A' |
3918 |
3681 |
0.940 |
176 |
604 |
|
|
2 |
A' |
3136 |
3000 |
0.957 |
176 |
605 |
|
|
3 |
A' |
3014 |
2844 |
0.944 |
176 |
606 |
|
|
4 |
A' |
1516 |
1477 |
0.974 |
176 |
607 |
|
|
5 |
A' |
1488 |
1455 |
0.978 |
176 |
608 |
|
|
6 |
A' |
1377 |
1345 |
0.976 |
176 |
609 |
|
|
7 |
A' |
1103 |
1060 |
0.961 |
176 |
610 |
|
|
8 |
A' |
1070 |
1033 |
0.965 |
176 |
611 |
|
|
9 |
A" |
3068 |
2960 |
0.965 |
176 |
612 |
|
|
10 |
A" |
1506 |
1477 |
0.980 |
176 |
613 |
|
|
11 |
A" |
1184 |
1165 |
0.984 |
176 |
614 |
|
|
12 |
A" |
294 |
200 |
0.680 |
176 |
615 |
CHONH2 |
formamide |
1 |
A' |
3764 |
3564 |
0.947 |
177 |
616 |
|
|
2 |
A' |
3623 |
3439 |
0.949 |
177 |
617 |
|
|
3 |
A' |
2973 |
2854 |
0.960 |
177 |
618 |
|
|
4 |
A' |
1827 |
1754 |
0.960 |
177 |
619 |
|
|
5 |
A' |
1626 |
1577 |
0.970 |
177 |
620 |
|
|
6 |
A' |
1433 |
1390 |
0.970 |
177 |
621 |
|
|
7 |
A' |
1283 |
1258 |
0.981 |
177 |
622 |
|
|
8 |
A' |
1067 |
1046 |
0.980 |
177 |
623 |
|
|
9 |
A' |
575 |
581 |
1.011 |
177 |
624 |
|
|
10 |
A" |
1037 |
1021 |
0.985 |
177 |
625 |
|
|
11 |
A" |
642 |
603 |
0.939 |
177 |
626 |
|
|
12 |
A" |
259 |
289 |
1.116 |
177 |
627 |
C2H2O2 |
Ethanedial |
1 |
Ag |
2970 |
2843 |
0.957 |
178 |
628 |
|
|
2 |
Ag |
1851 |
1745 |
0.943 |
178 |
629 |
|
|
3 |
Ag |
1388 |
1338 |
0.964 |
178 |
630 |
|
|
4 |
Ag |
1080 |
1065 |
0.986 |
178 |
631 |
|
|
5 |
Ag |
558 |
551 |
0.987 |
178 |
632 |
|
|
6 |
Au |
821 |
801 |
0.975 |
178 |
633 |
|
|
7 |
Au |
128 |
127 |
0.992 |
178 |
634 |
|
|
8 |
Bg |
1093 |
1048 |
0.959 |
178 |
635 |
|
|
9 |
Bu |
2965 |
2835 |
0.956 |
178 |
636 |
|
|
10 |
Bu |
1841 |
1732 |
0.941 |
178 |
637 |
|
|
11 |
Bu |
1346 |
1312 |
0.975 |
178 |
638 |
|
|
12 |
Bu |
341 |
339 |
0.993 |
178 |
639 |
CH3SH |
Methanethiol |
1 |
A' |
3166 |
3000 |
0.948 |
179 |
640 |
|
|
2 |
A' |
3075 |
2931 |
0.953 |
179 |
641 |
|
|
3 |
A' |
2733 |
2597 |
0.950 |
179 |
642 |
|
|
4 |
A' |
1494 |
1475 |
0.987 |
179 |
643 |
|
|
5 |
A' |
1366 |
1335 |
0.977 |
179 |
644 |
|
|
6 |
A' |
1101 |
1074 |
0.975 |
179 |
645 |
|
|
7 |
A' |
804 |
803 |
0.999 |
179 |
646 |
|
|
8 |
A' |
722 |
708 |
0.981 |
179 |
647 |
|
|
9 |
A" |
3167 |
3000 |
0.947 |
179 |
648 |
|
|
10 |
A" |
1482 |
1430 |
0.965 |
179 |
649 |
|
|
11 |
A" |
981 |
976 |
0.995 |
179 |
650 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3285 |
3115 |
0.948 |
180 |
651 |
|
|
2 |
A' |
3219 |
3080 |
0.957 |
180 |
652 |
|
|
3 |
A' |
3184 |
3052 |
0.959 |
180 |
653 |
|
|
4 |
A' |
1735 |
1654 |
0.953 |
180 |
654 |
|
|
5 |
A' |
1421 |
1380 |
0.971 |
180 |
655 |
|
|
6 |
A' |
1343 |
1306 |
0.972 |
180 |
656 |
|
|
7 |
A' |
1188 |
1156 |
0.973 |
180 |
657 |
|
|
8 |
A' |
952 |
929 |
0.976 |
180 |
658 |
|
|
9 |
A' |
495 |
483 |
0.976 |
180 |
659 |
|
|
10 |
A" |
984 |
940 |
0.955 |
180 |
660 |
|
|
11 |
A" |
915 |
863 |
0.943 |
180 |
661 |
|
|
12 |
A" |
741 |
711 |
0.959 |
180 |
662 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3218 |
3070 |
0.954 |
181 |
663 |
|
|
2 |
A1 |
1798 |
1728 |
0.961 |
181 |
664 |
|
|
3 |
A1 |
1425 |
1360 |
0.954 |
181 |
665 |
|
|
4 |
A1 |
959 |
926 |
0.966 |
181 |
666 |
|
|
5 |
A1 |
560 |
550 |
0.981 |
181 |
667 |
|
|
6 |
A2 |
720 |
714 |
0.991 |
181 |
668 |
|
|
7 |
B1 |
840 |
803 |
0.956 |
181 |
669 |
|
|
8 |
B1 |
652 |
611 |
0.938 |
181 |
670 |
|
|
9 |
B2 |
3322 |
3154 |
0.949 |
181 |
671 |
|
|
10 |
B2 |
1333 |
1302 |
0.976 |
181 |
672 |
|
|
11 |
B2 |
978 |
955 |
0.977 |
181 |
673 |
|
|
12 |
B2 |
450 |
438 |
0.974 |
181 |
674 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2425 |
2275 |
0.938 |
182 |
675 |
|
|
2 |
A1 |
1245 |
1227 |
0.986 |
182 |
676 |
|
|
3 |
A1 |
824 |
802 |
0.974 |
182 |
677 |
|
|
4 |
A1 |
525 |
522 |
0.994 |
182 |
678 |
|
|
5 |
E |
1222 |
1214 |
0.993 |
182 |
679 |
|
|
6 |
E |
636 |
618 |
0.972 |
182 |
680 |
|
|
7 |
E |
472 |
463 |
0.982 |
182 |
681 |
|
|
8 |
E |
197 |
196 |
0.996 |
182 |
682 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1946 |
1872 |
0.962 |
183 |
683 |
|
|
2 |
Ag |
813 |
778 |
0.957 |
183 |
684 |
|
|
3 |
Ag |
406 |
394 |
0.971 |
183 |
685 |
|
|
4 |
Au |
204 |
190 |
0.931 |
183 |
686 |
|
|
5 |
B1u |
1211 |
1186 |
0.980 |
183 |
687 |
|
|
6 |
B1u |
564 |
558 |
0.989 |
183 |
688 |
|
|
7 |
B2g |
580 |
508 |
0.876 |
183 |
689 |
|
|
8 |
B2u |
1363 |
1337 |
0.981 |
183 |
690 |
|
|
9 |
B2u |
212 |
218 |
1.026 |
183 |
691 |
|
|
10 |
B3g |
1362 |
1340 |
0.984 |
183 |
692 |
|
|
11 |
B3g |
559 |
551 |
0.985 |
183 |
693 |
|
|
12 |
B3u |
433 |
406 |
0.938 |
183 |
694 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
804 |
816 |
1.015 |
184 |
695 |
|
|
2 |
A1' |
638 |
648 |
1.015 |
184 |
696 |
|
|
3 |
A2" |
934 |
947 |
1.013 |
184 |
697 |
|
|
4 |
A2" |
562 |
575 |
1.024 |
184 |
698 |
|
|
5 |
E' |
1015 |
1024 |
1.009 |
184 |
699 |
|
|
6 |
E' |
518 |
533 |
1.028 |
184 |
700 |
|
|
7 |
E' |
167 |
174 |
1.042 |
184 |
701 |
|
|
8 |
E" |
498 |
520 |
1.043 |
184 |
702 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3824 |
3602 |
0.942 |
185 |
703 |
|
|
2 |
A |
1492 |
1486 |
0.996 |
185 |
704 |
|
|
3 |
A |
1251 |
1243 |
0.994 |
185 |
705 |
|
|
4 |
A |
1170 |
1150 |
0.983 |
185 |
706 |
|
|
5 |
A |
897 |
896 |
0.999 |
185 |
707 |
|
|
6 |
A |
821 |
823 |
1.003 |
185 |
708 |
|
|
7 |
A |
547 |
562 |
1.028 |
185 |
709 |
|
|
8 |
A |
533 |
551 |
1.034 |
185 |
710 |
|
|
9 |
A |
509 |
518 |
1.017 |
185 |
711 |
|
|
10 |
A |
411 |
409 |
0.996 |
185 |
712 |
|
|
11 |
A |
370 |
390 |
1.055 |
185 |
713 |
|
|
12 |
A |
284 |
266 |
0.937 |
185 |
714 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3273 |
3121 |
0.954 |
186 |
715 |
|
|
2 |
A' |
3242 |
3086 |
0.952 |
186 |
716 |
|
|
3 |
A' |
3176 |
3030 |
0.954 |
186 |
717 |
|
|
4 |
A' |
1697 |
1608 |
0.948 |
186 |
718 |
|
|
5 |
A' |
1419 |
1368 |
0.964 |
186 |
719 |
|
|
6 |
A' |
1328 |
1279 |
0.963 |
186 |
720 |
|
|
7 |
A' |
1057 |
1030 |
0.974 |
186 |
721 |
|
|
8 |
A' |
728 |
720 |
0.990 |
186 |
722 |
|
|
9 |
A' |
407 |
395 |
0.970 |
186 |
723 |
|
|
10 |
A" |
996 |
941 |
0.945 |
186 |
724 |
|
|
11 |
A" |
952 |
896 |
0.942 |
186 |
725 |
|
|
12 |
A" |
641 |
620 |
0.968 |
186 |
726 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3192 |
3035 |
0.951 |
187 |
727 |
|
|
2 |
A1 |
1698 |
1627 |
0.958 |
187 |
728 |
|
|
3 |
A1 |
1416 |
1400 |
0.989 |
187 |
729 |
|
|
4 |
A1 |
612 |
603 |
0.986 |
187 |
730 |
|
|
5 |
A1 |
302 |
299 |
0.990 |
187 |
731 |
|
|
6 |
A2 |
700 |
686 |
0.979 |
187 |
732 |
|
|
7 |
B1 |
919 |
875 |
0.952 |
187 |
733 |
|
|
8 |
B1 |
485 |
460 |
0.948 |
187 |
734 |
|
|
9 |
B2 |
3292 |
3130 |
0.951 |
187 |
735 |
|
|
10 |
B2 |
1114 |
1095 |
0.983 |
187 |
736 |
|
|
11 |
B2 |
800 |
800 |
1.000 |
187 |
737 |
|
|
12 |
B2 |
380 |
372 |
0.980 |
187 |
738 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3254 |
3077 |
0.946 |
188 |
739 |
|
|
2 |
A1 |
1688 |
1587 |
0.940 |
188 |
740 |
|
|
3 |
A1 |
1228 |
1179 |
0.960 |
188 |
741 |
|
|
4 |
A1 |
726 |
711 |
0.980 |
188 |
742 |
|
|
5 |
A1 |
168 |
173 |
1.027 |
188 |
743 |
|
|
6 |
A2 |
930 |
876 |
0.942 |
188 |
744 |
|
|
7 |
A2 |
429 |
406 |
0.946 |
188 |
745 |
|
|
8 |
B1 |
721 |
697 |
0.967 |
188 |
746 |
|
|
9 |
B2 |
3232 |
3072 |
0.951 |
188 |
747 |
|
|
10 |
B2 |
1333 |
1303 |
0.977 |
188 |
748 |
|
|
11 |
B2 |
863 |
857 |
0.993 |
188 |
749 |
|
|
12 |
B2 |
579 |
571 |
0.986 |
188 |
750 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3251 |
3073 |
0.945 |
189 |
751 |
|
|
2 |
Ag |
1681 |
1578 |
0.939 |
189 |
752 |
|
|
3 |
Ag |
1297 |
1274 |
0.982 |
189 |
753 |
|
|
4 |
Ag |
864 |
846 |
0.979 |
189 |
754 |
|
|
5 |
Ag |
357 |
350 |
0.981 |
189 |
755 |
|
|
6 |
Au |
933 |
900 |
0.965 |
189 |
756 |
|
|
7 |
Au |
214 |
227 |
1.060 |
189 |
757 |
|
|
8 |
Bg |
810 |
763 |
0.942 |
189 |
758 |
|
|
9 |
Bu |
3246 |
3090 |
0.952 |
189 |
759 |
|
|
10 |
Bu |
1212 |
1200 |
0.990 |
189 |
760 |
|
|
11 |
Bu |
837 |
828 |
0.989 |
189 |
761 |
|
|
12 |
Bu |
240 |
250 |
1.040 |
189 |
762 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3256 |
3082 |
0.946 |
190 |
763 |
|
|
2 |
A' |
1685 |
1586 |
0.941 |
190 |
764 |
|
|
3 |
A' |
1272 |
1247 |
0.981 |
190 |
765 |
|
|
4 |
A' |
941 |
931 |
0.989 |
190 |
766 |
|
|
5 |
A' |
857 |
840 |
0.981 |
190 |
767 |
|
|
6 |
A' |
640 |
630 |
0.985 |
190 |
768 |
|
|
7 |
A' |
392 |
384 |
0.979 |
190 |
769 |
|
|
8 |
A' |
278 |
277 |
0.995 |
190 |
770 |
|
|
9 |
A' |
173 |
178 |
1.031 |
190 |
771 |
|
|
10 |
A" |
822 |
780 |
0.949 |
190 |
772 |
|
|
11 |
A" |
482 |
451 |
0.935 |
190 |
773 |
|
|
12 |
A" |
207 |
215 |
1.039 |
190 |
774 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1142 |
1122 |
0.982 |
191 |
775 |
|
|
2 |
A1 |
404 |
401 |
0.992 |
191 |
776 |
|
|
3 |
A1 |
171 |
176 |
1.027 |
191 |
777 |
|
|
5 |
B2 |
733 |
728 |
0.994 |
191 |
778 |
|
|
6 |
B2 |
289 |
289 |
1.000 |
191 |
779 |
|
|
7 |
E |
924 |
917 |
0.992 |
191 |
780 |
|
|
8 |
E |
490 |
512 |
1.044 |
191 |
781 |
|
|
9 |
E |
97 |
104 |
1.073 |
191 |
782 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1670 |
1571 |
0.941 |
192 |
783 |
|
|
2 |
Ag |
458 |
447 |
0.976 |
192 |
784 |
|
|
3 |
Ag |
243 |
237 |
0.976 |
192 |
785 |
|
|
4 |
Au |
103 |
110 |
1.065 |
192 |
786 |
|
|
5 |
B1u |
792 |
777 |
0.981 |
192 |
787 |
|
|
6 |
B1u |
318 |
310 |
0.974 |
192 |
788 |
|
|
7 |
B2g |
563 |
512 |
0.910 |
192 |
789 |
|
|
8 |
B2u |
919 |
908 |
0.988 |
192 |
790 |
|
|
9 |
B2u |
184 |
176 |
0.954 |
192 |
791 |
|
|
10 |
B3g |
999 |
1000 |
1.001 |
192 |
792 |
|
|
11 |
B3g |
351 |
347 |
0.987 |
192 |
793 |
|
|
12 |
B3u |
304 |
288 |
0.946 |
192 |
794 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
401 |
394 |
0.984 |
193 |
795 |
|
|
2 |
A1' |
292 |
264 |
0.905 |
193 |
796 |
|
|
3 |
A2" |
477 |
465 |
0.975 |
193 |
797 |
|
|
4 |
A2" |
299 |
299 |
1.000 |
193 |
798 |
|
|
5 |
E' |
586 |
592 |
1.011 |
193 |
799 |
|
|
6 |
E' |
273 |
273 |
1.001 |
193 |
800 |
|
|
7 |
E' |
90 |
100 |
1.105 |
193 |
801 |
|
|
8 |
E" |
259 |
282 |
1.087 |
193 |
802 |
CH3CCH |
propyne |
1 |
A1 |
3483 |
3334 |
0.957 |
194 |
803 |
|
|
2 |
A1 |
3058 |
2918 |
0.954 |
194 |
804 |
|
|
3 |
A1 |
2254 |
2124 |
0.942 |
194 |
805 |
|
|
4 |
A1 |
1418 |
1382 |
0.975 |
194 |
806 |
|
|
5 |
A1 |
949 |
931 |
0.981 |
194 |
807 |
|
|
6 |
E |
3131 |
3008 |
0.961 |
194 |
808 |
|
|
7 |
E |
1485 |
1452 |
0.978 |
194 |
809 |
|
|
8 |
E |
1061 |
1053 |
0.992 |
194 |
810 |
|
|
9 |
E |
695 |
633 |
0.910 |
194 |
811 |
|
|
10 |
E |
353 |
328 |
0.929 |
194 |
812 |
CH2CCH2 |
allene |
1 |
A1 |
3155 |
3015 |
0.956 |
195 |
813 |
|
|
2 |
A1 |
1491 |
1443 |
0.968 |
195 |
814 |
|
|
3 |
A1 |
1120 |
1073 |
0.958 |
195 |
815 |
|
|
4 |
B1 |
888 |
865 |
0.974 |
195 |
816 |
|
|
5 |
B2 |
3152 |
3007 |
0.954 |
195 |
817 |
|
|
6 |
B2 |
2074 |
1957 |
0.943 |
195 |
818 |
|
|
7 |
B2 |
1429 |
1398 |
0.978 |
195 |
819 |
|
|
8 |
E |
3235 |
3086 |
0.954 |
195 |
820 |
|
|
9 |
E |
1023 |
999 |
0.976 |
195 |
821 |
|
|
10 |
E |
888 |
841 |
0.947 |
195 |
822 |
|
|
11 |
E |
376 |
355 |
0.943 |
195 |
823 |
C3H4 |
cyclopropene |
1 |
A1 |
3321 |
3158 |
0.951 |
196 |
824 |
|
|
2 |
A1 |
3066 |
2909 |
0.949 |
196 |
825 |
|
|
3 |
A1 |
1752 |
1653 |
0.944 |
196 |
826 |
|
|
4 |
A1 |
1529 |
1483 |
0.970 |
196 |
827 |
|
|
5 |
A1 |
1156 |
1110 |
0.960 |
196 |
828 |
|
|
6 |
A1 |
925 |
905 |
0.979 |
196 |
829 |
|
|
7 |
A2 |
1025 |
996 |
0.972 |
196 |
830 |
|
|
8 |
A2 |
889 |
820 |
0.923 |
196 |
831 |
|
|
9 |
B1 |
3133 |
2995 |
0.956 |
196 |
832 |
|
|
10 |
B1 |
1116 |
1088 |
0.975 |
196 |
833 |
|
|
11 |
B1 |
611 |
569 |
0.932 |
196 |
834 |
|
|
12 |
B2 |
3274 |
3124 |
0.954 |
196 |
835 |
|
|
13 |
B2 |
1083 |
1043 |
0.963 |
196 |
836 |
|
|
14 |
B2 |
1052 |
1011 |
0.961 |
196 |
837 |
|
|
15 |
B2 |
808 |
769 |
0.952 |
196 |
838 |
CH3NH2 |
methyl amine |
1 |
A' |
3550 |
3361 |
0.947 |
197 |
839 |
|
|
2 |
A' |
3086 |
2961 |
0.959 |
197 |
840 |
|
|
3 |
A' |
2997 |
2820 |
0.941 |
197 |
841 |
|
|
4 |
A' |
1668 |
1623 |
0.973 |
197 |
842 |
|
|
5 |
A' |
1506 |
1473 |
0.978 |
197 |
843 |
|
|
6 |
A' |
1466 |
1430 |
0.976 |
197 |
844 |
|
|
7 |
A' |
1175 |
1130 |
0.962 |
197 |
845 |
|
|
8 |
A' |
1088 |
1044 |
0.960 |
197 |
846 |
|
|
9 |
A' |
825 |
780 |
0.946 |
197 |
847 |
|
|
10 |
A" |
3630 |
3427 |
0.944 |
197 |
848 |
|
|
11 |
A" |
3124 |
2985 |
0.955 |
197 |
849 |
|
|
12 |
A" |
1523 |
1485 |
0.975 |
197 |
850 |
|
|
13 |
A" |
1350 |
1335 |
0.989 |
197 |
851 |
|
|
14 |
A" |
981 |
|
|
197 |
852 |
|
|
15 |
A" |
293 |
268 |
0.916 |
197 |
853 |
C3H3N |
acrylonitrile |
1 |
A' |
3276 |
3125 |
0.954 |
198 |
854 |
|
|
2 |
A' |
3214 |
3078 |
0.958 |
198 |
855 |
|
|
3 |
A' |
3182 |
3042 |
0.956 |
198 |
856 |
|
|
4 |
A' |
2382 |
2239 |
0.940 |
198 |
857 |
|
|
5 |
A' |
1710 |
1615 |
0.944 |
198 |
858 |
|
|
6 |
A' |
1454 |
1416 |
0.974 |
198 |
859 |
|
|
7 |
A' |
1328 |
1282 |
0.966 |
198 |
860 |
|
|
8 |
A' |
1117 |
1096 |
0.981 |
198 |
861 |
|
|
9 |
A' |
885 |
869 |
0.982 |
198 |
862 |
|
|
10 |
A' |
588 |
570 |
0.970 |
198 |
863 |
|
|
11 |
A' |
241 |
242 |
1.006 |
198 |
864 |
|
|
12 |
A" |
1023 |
972 |
0.950 |
198 |
865 |
|
|
13 |
A" |
1014 |
954 |
0.941 |
198 |
866 |
|
|
14 |
A" |
715 |
683 |
0.956 |
198 |
867 |
|
|
15 |
A" |
349 |
362 |
1.038 |
198 |
868 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3080 |
2935 |
0.953 |
199 |
869 |
|
|
2 |
A1 |
2418 |
2275 |
0.941 |
199 |
870 |
|
|
3 |
A1 |
1443 |
1395 |
0.967 |
199 |
871 |
|
|
4 |
A1 |
911 |
890 |
0.976 |
199 |
872 |
|
|
5 |
A1 |
593 |
582 |
0.982 |
199 |
873 |
|
|
6 |
A1 |
149 |
167 |
1.121 |
199 |
874 |
|
|
7 |
A2 |
1263 |
1220 |
0.966 |
199 |
875 |
|
|
8 |
A2 |
383 |
367 |
0.957 |
199 |
876 |
|
|
9 |
B1 |
3124 |
2968 |
0.950 |
199 |
877 |
|
|
10 |
B1 |
939 |
933 |
0.993 |
199 |
878 |
|
|
11 |
B1 |
338 |
337 |
0.997 |
199 |
879 |
|
|
12 |
B2 |
2414 |
2275 |
0.942 |
199 |
880 |
|
|
13 |
B2 |
1361 |
1318 |
0.969 |
199 |
881 |
|
|
14 |
B2 |
1000 |
982 |
0.982 |
199 |
882 |
|
|
15 |
B2 |
379 |
366 |
0.966 |
199 |
883 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3698 |
3447 |
0.932 |
200 |
884 |
|
|
2 |
A' |
3301 |
3102 |
0.940 |
200 |
885 |
|
|
3 |
A' |
1534 |
1441 |
0.939 |
200 |
886 |
|
|
4 |
A' |
1483 |
1384 |
0.933 |
200 |
887 |
|
|
5 |
A' |
1331 |
1259 |
0.946 |
200 |
888 |
|
|
6 |
A' |
1287 |
1159 |
0.901 |
200 |
889 |
|
|
7 |
A' |
1156 |
1084 |
0.938 |
200 |
890 |
|
|
8 |
A' |
1093 |
1015 |
0.929 |
200 |
891 |
|
|
9 |
A' |
1075 |
1002 |
0.932 |
200 |
892 |
|
|
10 |
A' |
1027 |
969 |
0.944 |
200 |
893 |
|
|
11 |
A' |
988 |
925 |
0.937 |
200 |
894 |
|
|
12 |
A" |
878 |
906 |
1.032 |
200 |
895 |
|
|
13 |
A" |
755 |
663 |
0.879 |
200 |
896 |
|
|
14 |
A" |
701 |
658 |
0.939 |
200 |
897 |
|
|
15 |
A" |
612 |
578 |
0.945 |
200 |
898 |
CH3PH2 |
Methyl phosphine |
1 |
A' |
3163 |
3000 |
0.948 |
201 |
899 |
|
|
2 |
A' |
3070 |
2938 |
0.957 |
201 |
900 |
|
|
3 |
A' |
2396 |
2297 |
0.959 |
201 |
901 |
|
|
4 |
A' |
1479 |
1450 |
0.980 |
201 |
902 |
|
|
5 |
A' |
1334 |
1238 |
0.928 |
201 |
903 |
|
|
6 |
A' |
1128 |
1086 |
0.963 |
201 |
904 |
|
|
7 |
A' |
997 |
977 |
0.980 |
201 |
905 |
|
|
8 |
A' |
743 |
740 |
0.995 |
201 |
906 |
|
|
9 |
A' |
691 |
677 |
0.980 |
201 |
907 |
|
|
10 |
A" |
3149 |
2992 |
0.950 |
201 |
908 |
|
|
11 |
A" |
2402 |
2312 |
0.962 |
201 |
909 |
|
|
12 |
A" |
1477 |
1450 |
0.982 |
201 |
910 |
|
|
13 |
A" |
1038 |
1017 |
0.979 |
201 |
911 |
|
|
15 |
A" |
221 |
207 |
0.935 |
201 |
912 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3167 |
3014 |
0.952 |
202 |
913 |
|
|
2 |
A' |
3048 |
2923 |
0.959 |
202 |
914 |
|
|
3 |
A' |
2902 |
2716 |
0.936 |
202 |
915 |
|
|
4 |
A' |
1848 |
1743 |
0.943 |
202 |
916 |
|
|
5 |
A' |
1466 |
1433 |
0.977 |
202 |
917 |
|
|
6 |
A' |
1431 |
1395 |
0.975 |
202 |
918 |
|
|
7 |
A' |
1387 |
1352 |
0.975 |
202 |
919 |
|
|
8 |
A' |
1138 |
1114 |
0.979 |
202 |
920 |
|
|
9 |
A' |
897 |
867 |
0.967 |
202 |
921 |
|
|
10 |
A' |
514 |
509 |
0.990 |
202 |
922 |
|
|
11 |
A" |
3114 |
2964 |
0.952 |
202 |
923 |
|
|
12 |
A" |
1476 |
1431 |
0.970 |
202 |
924 |
|
|
13 |
A" |
1145 |
1102 |
0.963 |
202 |
925 |
|
|
14 |
A" |
779 |
764 |
0.980 |
202 |
926 |
|
|
15 |
A" |
152 |
150 |
0.988 |
202 |
927 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3116 |
3006 |
0.965 |
203 |
928 |
|
|
2 |
A1 |
1554 |
1467 |
0.944 |
203 |
929 |
|
|
3 |
A1 |
1326 |
1267 |
0.956 |
203 |
930 |
|
|
4 |
A1 |
1171 |
1146 |
0.978 |
203 |
931 |
|
|
5 |
A1 |
922 |
857 |
0.930 |
203 |
932 |
|
|
6 |
A2 |
3193 |
3063 |
0.959 |
203 |
933 |
|
|
7 |
A2 |
1182 |
1050 |
0.889 |
203 |
934 |
|
|
8 |
A2 |
1061 |
1020 |
0.961 |
203 |
935 |
|
|
9 |
B1 |
3207 |
3065 |
0.956 |
203 |
936 |
|
|
10 |
B1 |
1185 |
1146 |
0.967 |
203 |
937 |
|
|
11 |
B1 |
829 |
797 |
0.962 |
203 |
938 |
|
|
12 |
B2 |
3108 |
3006 |
0.967 |
203 |
939 |
|
|
13 |
B2 |
1511 |
1459 |
0.965 |
203 |
940 |
|
|
14 |
B2 |
1179 |
1159 |
0.983 |
203 |
941 |
|
|
15 |
B2 |
901 |
824 |
0.914 |
203 |
942 |
CH3ONO |
Methyl nitrite |
1 |
A' |
3188 |
3037 |
0.952 |
204 |
943 |
|
|
2 |
A' |
3068 |
2950 |
0.962 |
204 |
944 |
|
|
3 |
A' |
1720 |
1613 |
0.938 |
204 |
945 |
|
|
4 |
A' |
1484 |
1454 |
0.980 |
204 |
946 |
|
|
5 |
A' |
1449 |
1408 |
0.972 |
204 |
947 |
|
|
6 |
A' |
1197 |
1239 |
1.035 |
204 |
948 |
|
|
7 |
A' |
1042 |
991 |
0.951 |
204 |
949 |
|
|
8 |
A' |
894 |
838 |
0.938 |
204 |
950 |
|
|
9 |
A' |
731 |
627 |
0.858 |
204 |
951 |
|
|
10 |
A' |
369 |
346 |
0.936 |
204 |
952 |
|
|
11 |
A" |
3146 |
2991 |
0.951 |
204 |
953 |
|
|
12 |
A" |
1490 |
1438 |
0.965 |
204 |
954 |
|
|
13 |
A" |
1162 |
1143 |
0.983 |
204 |
955 |
|
|
14 |
A" |
366 |
|
|
204 |
956 |
|
|
15 |
A" |
187 |
186 |
0.995 |
204 |
957 |
C2H4S |
Thiirane |
1 |
A1 |
3155 |
3014 |
0.955 |
205 |
958 |
|
|
2 |
A1 |
1509 |
1457 |
0.966 |
205 |
959 |
|
|
5 |
A1 |
645 |
627 |
0.973 |
205 |
960 |
|
|
11 |
B1 |
855 |
824 |
0.964 |
205 |
961 |
|
|
12 |
B2 |
3152 |
3013 |
0.956 |
205 |
962 |
|
|
14 |
B2 |
1089 |
1051 |
0.965 |
205 |
963 |
H2SO4 |
Sulfuric acid |
1 |
A |
3837 |
3563 |
0.929 |
206 |
964 |
|
|
2 |
A |
1238 |
1216 |
0.983 |
206 |
965 |
|
|
3 |
A |
1159 |
1136 |
0.980 |
206 |
966 |
|
|
4 |
A |
834 |
831 |
0.997 |
206 |
967 |
|
|
5 |
A |
542 |
548 |
1.011 |
206 |
968 |
|
|
6 |
A |
431 |
422 |
0.978 |
206 |
969 |
|
|
7 |
A |
371 |
379 |
1.021 |
206 |
970 |
|
|
8 |
A |
237 |
224 |
0.946 |
206 |
971 |
|
|
9 |
B |
3833 |
3567 |
0.931 |
206 |
972 |
|
|
10 |
B |
1485 |
1452 |
0.978 |
206 |
973 |
|
|
11 |
B |
1178 |
1157 |
0.982 |
206 |
974 |
|
|
12 |
B |
885 |
882 |
0.996 |
206 |
975 |
|
|
13 |
B |
553 |
558 |
1.008 |
206 |
976 |
|
|
14 |
B |
494 |
506 |
1.024 |
206 |
977 |
|
|
15 |
B |
318 |
288 |
0.906 |
206 |
978 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3201 |
3043 |
0.951 |
207 |
979 |
|
|
2 |
A' |
3084 |
2955 |
0.958 |
207 |
980 |
|
|
3 |
A' |
1938 |
1870 |
0.965 |
207 |
981 |
|
|
4 |
A' |
1470 |
1440 |
0.980 |
207 |
982 |
|
|
5 |
A' |
1403 |
1378 |
0.982 |
207 |
983 |
|
|
6 |
A' |
1215 |
1188 |
0.978 |
207 |
984 |
|
|
7 |
A' |
1017 |
1000 |
0.984 |
207 |
985 |
|
|
8 |
A' |
852 |
826 |
0.970 |
207 |
986 |
|
|
9 |
A' |
610 |
598 |
0.981 |
207 |
987 |
|
|
10 |
A' |
423 |
420 |
0.993 |
207 |
988 |
|
|
11 |
A" |
3156 |
3004 |
0.952 |
207 |
989 |
|
|
12 |
A" |
1474 |
1437 |
0.975 |
207 |
990 |
|
|
13 |
A" |
1066 |
1054 |
0.989 |
207 |
991 |
|
|
14 |
A" |
568 |
567 |
0.998 |
207 |
992 |
|
|
15 |
A" |
86i |
123 |
-1.431 |
207 |
993 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
766 |
774 |
1.010 |
208 |
994 |
|
|
2 |
Eg |
638 |
642 |
1.006 |
208 |
995 |
|
|
3 |
T1u |
945 |
948 |
1.003 |
208 |
996 |
|
|
4 |
T1u |
599 |
616 |
1.027 |
208 |
997 |
|
|
5 |
T2g |
508 |
525 |
1.034 |
208 |
998 |
|
|
6 |
T2u |
337 |
347 |
1.030 |
208 |
999 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3183 |
3027 |
0.951 |
209 |
1000 |
|
|
2 |
A' |
3079 |
2948 |
0.957 |
209 |
1001 |
|
|
3 |
A' |
1919 |
1818 |
0.948 |
209 |
1002 |
|
|
4 |
A' |
1477 |
1415 |
0.958 |
209 |
1003 |
|
|
5 |
A' |
1407 |
1368 |
0.972 |
209 |
1004 |
|
|
6 |
A' |
1133 |
1108 |
0.978 |
209 |
1005 |
|
|
7 |
A' |
973 |
956 |
0.982 |
209 |
1006 |
|
|
8 |
A' |
620 |
604 |
0.975 |
209 |
1007 |
|
|
9 |
A' |
451 |
445 |
0.986 |
209 |
1008 |
|
|
10 |
A' |
351 |
348 |
0.991 |
209 |
1009 |
|
|
11 |
A" |
3159 |
2990 |
0.946 |
209 |
1010 |
|
|
12 |
A" |
1472 |
1431 |
0.972 |
209 |
1011 |
|
|
13 |
A" |
1055 |
1032 |
0.979 |
209 |
1012 |
|
|
14 |
A" |
529 |
518 |
0.978 |
209 |
1013 |
|
|
15 |
A" |
145 |
166 |
1.145 |
209 |
1014 |
B2H6 |
Diborane |
1 |
Ag |
2615 |
2530 |
0.967 |
210 |
1015 |
|
|
2 |
Ag |
2183 |
2088 |
0.957 |
210 |
1016 |
|
|
3 |
Ag |
1204 |
1183 |
0.982 |
210 |
1017 |
|
|
4 |
Ag |
813 |
790 |
0.971 |
210 |
1018 |
|
|
5 |
Au |
854 |
833 |
0.975 |
210 |
1019 |
|
|
6 |
B1g |
2691 |
2596 |
0.965 |
210 |
1020 |
|
|
7 |
B1g |
938 |
915 |
0.975 |
210 |
1021 |
|
|
8 |
B1u |
2026 |
1930 |
0.953 |
210 |
1022 |
|
|
9 |
B1u |
989 |
973 |
0.983 |
210 |
1023 |
|
|
10 |
B2g |
1883 |
1760 |
0.935 |
210 |
1024 |
|
|
11 |
B2g |
907 |
860 |
0.948 |
210 |
1025 |
|
|
12 |
B2u |
2706 |
2609 |
0.964 |
210 |
1026 |
|
|
13 |
B2u |
949 |
949 |
1.000 |
210 |
1027 |
|
|
14 |
B2u |
351 |
369 |
1.049 |
210 |
1028 |
|
|
15 |
B3g |
1030 |
1020 |
0.990 |
210 |
1029 |
|
|
16 |
B3u |
2600 |
2520 |
0.969 |
210 |
1030 |
|
|
17 |
B3u |
1710 |
1603 |
0.938 |
210 |
1031 |
|
|
18 |
B3u |
1196 |
1172 |
0.980 |
210 |
1032 |
C2H6 |
Ethane |
1 |
A1g |
3051 |
2954 |
0.968 |
211 |
1033 |
|
|
2 |
A1g |
1431 |
1388 |
0.970 |
211 |
1034 |
|
|
3 |
A1g |
1014 |
995 |
0.981 |
211 |
1035 |
|
|
4 |
A1u |
305 |
289 |
0.947 |
211 |
1036 |
|
|
5 |
A2u |
3050 |
2896 |
0.950 |
211 |
1037 |
|
|
6 |
A2u |
1411 |
1379 |
0.977 |
211 |
1038 |
|
|
7 |
Eg |
3107 |
2969 |
0.955 |
211 |
1039 |
|
|
8 |
Eg |
1509 |
1468 |
0.973 |
211 |
1040 |
|
|
9 |
Eg |
1226 |
1190 |
0.971 |
211 |
1041 |
|
|
10 |
Eu |
3131 |
2985 |
0.953 |
211 |
1042 |
|
|
11 |
Eu |
1509 |
1469 |
0.973 |
211 |
1043 |
|
|
12 |
Eu |
832 |
822 |
0.989 |
211 |
1044 |
C3H5 |
Allyl radical |
1 |
A1 |
3263 |
3114 |
0.954 |
212 |
1045 |
|
|
2 |
A1 |
3171 |
3048 |
0.961 |
212 |
1046 |
|
|
4 |
A1 |
1528 |
1488 |
0.974 |
212 |
1047 |
|
|
5 |
A1 |
1283 |
1245 |
0.971 |
212 |
1048 |
|
|
6 |
A1 |
1047 |
1066 |
1.018 |
212 |
1049 |
|
|
7 |
A1 |
438 |
427 |
0.975 |
212 |
1050 |
|
|
9 |
A2 |
539 |
549 |
1.018 |
212 |
1051 |
|
|
10 |
B1 |
1005 |
968 |
0.963 |
212 |
1052 |
|
|
11 |
B1 |
814 |
802 |
0.985 |
212 |
1053 |
|
|
12 |
B1 |
531 |
518 |
0.976 |
212 |
1054 |
|
|
13 |
B2 |
3260 |
3105 |
0.952 |
212 |
1055 |
|
|
14 |
B2 |
3160 |
3016 |
0.954 |
212 |
1056 |
|
|
15 |
B2 |
1515 |
1463 |
0.966 |
212 |
1057 |
|
|
16 |
B2 |
1422 |
1389 |
0.976 |
212 |
1058 |
|
|
17 |
B2 |
1196 |
1182 |
0.989 |
212 |
1059 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3063 |
2898 |
0.946 |
213 |
1060 |
|
|
2 |
A1 |
2197 |
2166 |
0.986 |
213 |
1061 |
|
|
3 |
A1 |
1301 |
1260 |
0.969 |
213 |
1062 |
|
|
4 |
A1 |
945 |
940 |
0.995 |
213 |
1063 |
|
|
5 |
A1 |
716 |
700 |
0.977 |
213 |
1064 |
|
|
6 |
A2 |
205 |
187 |
0.912 |
213 |
1065 |
|
|
7 |
E |
3145 |
2982 |
0.948 |
213 |
1066 |
|
|
8 |
E |
2194 |
2169 |
0.989 |
213 |
1067 |
|
|
9 |
E |
1472 |
1403 |
0.953 |
213 |
1068 |
|
|
10 |
E |
965 |
980 |
1.016 |
213 |
1069 |
|
|
11 |
E |
890 |
868 |
0.975 |
213 |
1070 |
|
|
12 |
E |
525 |
540 |
1.028 |
213 |
1071 |
Si2H6 |
disilane |
1 |
A1g |
2201 |
2152 |
0.978 |
214 |
1072 |
|
|
2 |
A1g |
925 |
909 |
0.983 |
214 |
1073 |
|
|
3 |
A1g |
435 |
434 |
0.999 |
214 |
1074 |
|
|
4 |
A1u |
146 |
131 |
0.894 |
214 |
1075 |
|
|
5 |
A2u |
2193 |
2154 |
0.982 |
214 |
1076 |
|
|
6 |
A2u |
850 |
844 |
0.992 |
214 |
1077 |
|
|
7 |
Eg |
2199 |
2155 |
0.980 |
214 |
1078 |
|
|
8 |
Eg |
946 |
929 |
0.982 |
214 |
1079 |
|
|
9 |
Eg |
636 |
625 |
0.983 |
214 |
1080 |
|
|
10 |
Eu |
2208 |
2179 |
0.987 |
214 |
1081 |
|
|
11 |
Eu |
959 |
940 |
0.979 |
214 |
1082 |
|
|
12 |
Eu |
379 |
379 |
1.000 |
214 |
1083 |
C2H5N |
Aziridine |
1 |
A' |
3564 |
3338 |
0.937 |
215 |
1084 |
|
|
2 |
A' |
3230 |
3079 |
0.953 |
215 |
1085 |
|
|
3 |
A' |
3140 |
3015 |
0.960 |
215 |
1086 |
|
|
4 |
A' |
1538 |
1482 |
0.963 |
215 |
1087 |
|
|
5 |
A' |
1306 |
1237 |
0.947 |
215 |
1088 |
|
|
6 |
A' |
1256 |
1211 |
0.964 |
215 |
1089 |
|
|
7 |
A' |
1133 |
1090 |
0.962 |
215 |
1090 |
|
|
8 |
A' |
1017 |
998 |
0.981 |
215 |
1091 |
|
|
9 |
A' |
896 |
856 |
0.955 |
215 |
1092 |
|
|
10 |
A' |
797 |
773 |
0.970 |
215 |
1093 |
|
|
11 |
A" |
3216 |
3079 |
0.957 |
215 |
1094 |
|
|
12 |
A" |
3134 |
3015 |
0.962 |
215 |
1095 |
|
|
13 |
A" |
1503 |
1463 |
0.973 |
215 |
1096 |
|
|
14 |
A" |
1272 |
1268 |
0.997 |
215 |
1097 |
|
|
15 |
A" |
1168 |
1131 |
0.968 |
215 |
1098 |
|
|
16 |
A" |
1130 |
1095 |
0.969 |
215 |
1099 |
|
|
17 |
A" |
927 |
904 |
0.975 |
215 |
1100 |
|
|
18 |
A" |
901 |
817 |
0.907 |
215 |
1101 |
CH3COOH |
Acetic acid |
1 |
A' |
3823 |
3583 |
0.937 |
216 |
1102 |
|
|
2 |
A' |
3199 |
3051 |
0.954 |
216 |
1103 |
|
|
3 |
A' |
3082 |
2944 |
0.955 |
216 |
1104 |
|
|
4 |
A' |
1854 |
1788 |
0.965 |
216 |
1105 |
|
|
5 |
A' |
1472 |
1430 |
0.971 |
216 |
1106 |
|
|
6 |
A' |
1419 |
1382 |
0.974 |
216 |
1107 |
|
|
7 |
A' |
1352 |
1264 |
0.935 |
216 |
1108 |
|
|
8 |
A' |
1227 |
1182 |
0.963 |
216 |
1109 |
|
|
9 |
A' |
1015 |
989 |
0.975 |
216 |
1110 |
|
|
10 |
A' |
876 |
847 |
0.967 |
216 |
1111 |
|
|
11 |
A' |
594 |
657 |
1.105 |
216 |
1112 |
|
|
12 |
A' |
431 |
|
|
216 |
1113 |
|
|
13 |
A" |
3152 |
2996 |
0.951 |
216 |
1114 |
|
|
14 |
A" |
1476 |
1430 |
0.969 |
216 |
1115 |
|
|
15 |
A" |
1064 |
1048 |
0.985 |
216 |
1116 |
|
|
16 |
A" |
666 |
642 |
0.963 |
216 |
1117 |
|
|
17 |
A" |
542 |
534 |
0.986 |
216 |
1118 |
|
|
18 |
A" |
130i |
93 |
-0.714 |
216 |
1119 |
CH3OCHO |
methyl formate |
1 |
A' |
3181 |
3045 |
0.957 |
217 |
1120 |
|
|
2 |
A' |
3071 |
2969 |
0.967 |
217 |
1121 |
|
|
3 |
A' |
3067 |
2943 |
0.960 |
217 |
1122 |
|
|
4 |
A' |
1829 |
1754 |
0.959 |
217 |
1123 |
|
|
5 |
A' |
1493 |
1454 |
0.974 |
217 |
1124 |
|
|
6 |
A' |
1473 |
1445 |
0.981 |
217 |
1125 |
|
|
7 |
A' |
1418 |
1371 |
0.967 |
217 |
1126 |
|
|
8 |
A' |
1266 |
1207 |
0.953 |
217 |
1127 |
|
|
9 |
A' |
1197 |
1166 |
0.974 |
217 |
1128 |
|
|
10 |
A' |
965 |
925 |
0.959 |
217 |
1129 |
|
|
11 |
A' |
786 |
767 |
0.976 |
217 |
1130 |
|
|
12 |
A' |
310 |
318 |
1.027 |
217 |
1131 |
|
|
13 |
A" |
3149 |
3012 |
0.956 |
217 |
1132 |
|
|
14 |
A" |
1499 |
1443 |
0.963 |
217 |
1133 |
|
|
15 |
A" |
1179 |
1168 |
0.991 |
217 |
1134 |
|
|
16 |
A" |
1040 |
1032 |
0.992 |
217 |
1135 |
|
|
17 |
A" |
334 |
332 |
0.993 |
217 |
1136 |
|
|
18 |
A" |
131 |
130 |
0.994 |
217 |
1137 |
C3H3NO |
Isoxazole |
1 |
A' |
3305 |
3160 |
0.956 |
218 |
1138 |
|
|
2 |
A' |
3280 |
3128 |
0.954 |
218 |
1139 |
|
|
3 |
A' |
3263 |
3086 |
0.946 |
218 |
1140 |
|
|
4 |
A' |
1630 |
1561 |
0.958 |
218 |
1141 |
|
|
5 |
A' |
1493 |
1433 |
0.960 |
218 |
1142 |
|
|
6 |
A' |
1425 |
1371 |
0.962 |
218 |
1143 |
|
|
7 |
A' |
1269 |
1218 |
0.960 |
218 |
1144 |
|
|
8 |
A' |
1178 |
1130 |
0.959 |
218 |
1145 |
|
|
9 |
A' |
1143 |
1096 |
0.959 |
218 |
1146 |
|
|
10 |
A' |
1052 |
1024 |
0.974 |
218 |
1147 |
|
|
11 |
A' |
952 |
920 |
0.966 |
218 |
1148 |
|
|
12 |
A' |
933 |
900 |
0.965 |
218 |
1149 |
|
|
13 |
A' |
931 |
857 |
0.921 |
218 |
1150 |
|
|
14 |
A" |
939 |
890 |
0.948 |
218 |
1151 |
|
|
15 |
A" |
907 |
866 |
0.955 |
218 |
1152 |
|
|
16 |
A" |
797 |
765 |
0.959 |
218 |
1153 |
|
|
17 |
A" |
660 |
631 |
0.955 |
218 |
1154 |
|
|
18 |
A" |
618 |
592 |
0.957 |
218 |
1155 |
C3H3NO |
Oxazole |
1 |
A' |
3323 |
3170 |
0.954 |
219 |
1156 |
|
|
2 |
A' |
3292 |
3144 |
0.955 |
219 |
1157 |
|
|
3 |
A' |
3289 |
3141 |
0.955 |
219 |
1158 |
|
|
4 |
A' |
1612 |
1537 |
0.954 |
219 |
1159 |
|
|
5 |
A' |
1563 |
1504 |
0.962 |
219 |
1160 |
|
|
6 |
A' |
1389 |
1324 |
0.953 |
219 |
1161 |
|
|
7 |
A' |
1301 |
1252 |
0.963 |
219 |
1162 |
|
|
8 |
A' |
1200 |
1139 |
0.949 |
219 |
1163 |
|
|
9 |
A' |
1147 |
1086 |
0.947 |
219 |
1164 |
|
|
10 |
A' |
1128 |
1078 |
0.956 |
219 |
1165 |
|
|
11 |
A' |
1100 |
1046 |
0.951 |
219 |
1166 |
|
|
12 |
A' |
940 |
899 |
0.957 |
219 |
1167 |
|
|
13 |
A' |
924 |
854 |
0.924 |
219 |
1168 |
|
|
14 |
A" |
917 |
907 |
0.989 |
219 |
1169 |
|
|
15 |
A" |
859 |
830 |
0.966 |
219 |
1170 |
|
|
16 |
A" |
796 |
750 |
0.942 |
219 |
1171 |
|
|
17 |
A" |
669 |
647 |
0.967 |
219 |
1172 |
|
|
18 |
A" |
636 |
607 |
0.955 |
219 |
1173 |
CH3NO3 |
Methyl nitrate |
1 |
A' |
3188 |
3008 |
0.944 |
220 |
1174 |
|
|
2 |
A' |
3074 |
2941 |
0.957 |
220 |
1175 |
|
|
3 |
A' |
1750 |
1678 |
0.959 |
220 |
1176 |
|
|
4 |
A' |
1498 |
1468 |
0.980 |
220 |
1177 |
|
|
5 |
A' |
1478 |
1430 |
0.967 |
220 |
1178 |
|
|
6 |
A' |
1367 |
1287 |
0.941 |
220 |
1179 |
|
|
7 |
A' |
1210 |
1176 |
0.972 |
220 |
1180 |
|
|
8 |
A' |
1070 |
1017 |
0.951 |
220 |
1181 |
|
|
9 |
A' |
916 |
854 |
0.932 |
220 |
1182 |
|
|
10 |
A' |
703 |
657 |
0.935 |
220 |
1183 |
|
|
11 |
A' |
606 |
578 |
0.954 |
220 |
1184 |
|
|
12 |
A' |
355 |
340 |
0.958 |
220 |
1185 |
|
|
13 |
A" |
3160 |
3008 |
0.952 |
220 |
1186 |
|
|
14 |
A" |
1488 |
1455 |
0.978 |
220 |
1187 |
|
|
15 |
A" |
1183 |
1136 |
0.960 |
220 |
1188 |
|
|
16 |
A" |
808 |
758 |
0.939 |
220 |
1189 |
|
|
17 |
A" |
208 |
|
|
220 |
1190 |
|
|
18 |
A" |
131 |
|
|
220 |
1191 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
1 |
A' |
3161 |
3015 |
0.954 |
221 |
1192 |
|
|
2 |
A' |
3085 |
2975 |
0.964 |
221 |
1193 |
|
|
3 |
A' |
3070 |
2964 |
0.965 |
221 |
1194 |
|
|
4 |
A' |
1491 |
1457 |
0.977 |
221 |
1195 |
|
|
5 |
A' |
1444 |
1413 |
0.979 |
221 |
1196 |
|
|
6 |
A' |
1396 |
1357 |
0.972 |
221 |
1197 |
|
|
7 |
A' |
1170 |
1171 |
1.001 |
221 |
1198 |
|
|
8 |
A' |
1152 |
1140 |
0.989 |
221 |
1199 |
|
|
9 |
A' |
881 |
868 |
0.986 |
221 |
1200 |
|
|
10 |
A' |
575 |
569 |
0.990 |
221 |
1201 |
|
|
11 |
A' |
472 |
468 |
0.992 |
221 |
1202 |
|
|
12 |
A" |
3158 |
|
|
221 |
1203 |
|
|
13 |
A" |
1492 |
|
|
221 |
1204 |
|
|
14 |
A" |
1390 |
1362 |
0.980 |
221 |
1205 |
|
|
15 |
A" |
1154 |
1135 |
0.983 |
221 |
1206 |
|
|
16 |
A" |
956 |
942 |
0.985 |
221 |
1207 |
|
|
17 |
A" |
388 |
|
|
221 |
1208 |
|
|
18 |
A" |
232 |
|
|
221 |
1209 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3096 |
2974 |
0.961 |
222 |
1210 |
|
|
2 |
A1 |
1439 |
1412 |
0.982 |
222 |
1211 |
|
|
3 |
A1 |
1295 |
1278 |
0.987 |
222 |
1212 |
|
|
4 |
A1 |
844 |
828 |
0.981 |
222 |
1213 |
|
|
5 |
A1 |
606 |
606 |
1.000 |
222 |
1214 |
|
|
6 |
A2 |
231 |
225 |
0.976 |
222 |
1215 |
|
|
7 |
E |
3188 |
3042 |
0.954 |
222 |
1216 |
|
|
8 |
E |
1493 |
1450 |
0.971 |
222 |
1217 |
|
|
9 |
E |
1240 |
1230 |
0.992 |
222 |
1218 |
|
|
10 |
E |
981 |
964 |
0.983 |
222 |
1219 |
|
|
11 |
E |
545 |
540 |
0.992 |
222 |
1220 |
|
|
12 |
E |
367 |
365 |
0.995 |
222 |
1221 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1414 |
1420 |
1.004 |
223 |
1222 |
|
|
2 |
A1g |
817 |
809 |
0.990 |
223 |
1223 |
|
|
3 |
A1g |
347 |
349 |
1.005 |
223 |
1224 |
|
|
4 |
A1u |
68 |
68 |
0.995 |
223 |
1225 |
|
|
5 |
A2u |
1128 |
1117 |
0.990 |
223 |
1226 |
|
|
6 |
A2u |
721 |
714 |
0.990 |
223 |
1227 |
|
|
7 |
Eg |
1243 |
1237 |
0.995 |
223 |
1228 |
|
|
8 |
Eg |
620 |
620 |
0.999 |
223 |
1229 |
|
|
9 |
Eg |
381 |
380 |
0.998 |
223 |
1230 |
|
|
10 |
Eu |
1258 |
1251 |
0.994 |
223 |
1231 |
|
|
11 |
Eu |
525 |
523 |
0.995 |
223 |
1232 |
|
|
12 |
Eu |
218 |
216 |
0.990 |
223 |
1233 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3136 |
2967 |
0.946 |
224 |
1234 |
|
|
2 |
A' |
3112 |
2946 |
0.947 |
224 |
1235 |
|
|
3 |
A' |
3061 |
2881 |
0.941 |
224 |
1236 |
|
|
4 |
A' |
1508 |
1463 |
0.970 |
224 |
1237 |
|
|
5 |
A' |
1502 |
1448 |
0.964 |
224 |
1238 |
|
|
6 |
A' |
1423 |
1385 |
0.973 |
224 |
1239 |
|
|
7 |
A' |
1319 |
1289 |
0.977 |
224 |
1240 |
|
|
8 |
A' |
1098 |
1081 |
0.985 |
224 |
1241 |
|
|
9 |
A' |
996 |
974 |
0.978 |
224 |
1242 |
|
|
10 |
A' |
686 |
677 |
0.987 |
224 |
1243 |
|
|
11 |
A' |
338 |
336 |
0.994 |
224 |
1244 |
|
|
12 |
A" |
3176 |
3014 |
0.949 |
224 |
1245 |
|
|
13 |
A" |
3143 |
2986 |
0.950 |
224 |
1246 |
|
|
14 |
A" |
1484 |
1448 |
0.976 |
224 |
1247 |
|
|
15 |
A" |
1278 |
1251 |
0.979 |
224 |
1248 |
|
|
16 |
A" |
1082 |
974 |
0.900 |
224 |
1249 |
|
|
17 |
A" |
798 |
786 |
0.985 |
224 |
1250 |
|
|
18 |
A" |
232 |
251 |
1.081 |
224 |
1251 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3115 |
2957 |
0.949 |
225 |
1252 |
|
|
1 |
A |
3165 |
3005 |
0.950 |
225 |
1253 |
|
|
2 |
A |
3110 |
2957 |
0.951 |
225 |
1254 |
|
|
2 |
Ag |
1488 |
1445 |
0.971 |
225 |
1255 |
|
|
3 |
Ag |
1352 |
1304 |
0.964 |
225 |
1256 |
|
|
3 |
A |
1473 |
1433 |
0.973 |
225 |
1257 |
|
|
4 |
A |
1345 |
1315 |
0.978 |
225 |
1258 |
|
|
4 |
Ag |
1076 |
1052 |
0.978 |
225 |
1259 |
|
|
5 |
Ag |
789 |
754 |
0.956 |
225 |
1260 |
|
|
5 |
A |
1246 |
1207 |
0.968 |
225 |
1261 |
|
|
6 |
A |
1058 |
1027 |
0.970 |
225 |
1262 |
|
|
6 |
Ag |
305 |
300 |
0.984 |
225 |
1263 |
|
|
7 |
Au |
3194 |
3005 |
0.941 |
225 |
1264 |
|
|
7 |
A |
959 |
948 |
0.988 |
225 |
1265 |
|
|
8 |
A |
678 |
669 |
0.987 |
225 |
1266 |
|
|
8 |
Au |
1159 |
1123 |
0.969 |
225 |
1267 |
|
|
9 |
Au |
767 |
773 |
1.008 |
225 |
1268 |
|
|
9 |
A |
259 |
272 |
1.049 |
225 |
1269 |
|
|
10 |
A |
107 |
125 |
1.165 |
225 |
1270 |
|
|
10 |
Au |
117 |
123 |
1.053 |
225 |
1271 |
|
|
11 |
Bg |
3172 |
3005 |
0.947 |
225 |
1272 |
|
|
11 |
B |
3176 |
3005 |
0.946 |
225 |
1273 |
|
|
12 |
B |
3102 |
2957 |
0.953 |
225 |
1274 |
|
|
12 |
Bg |
1308 |
1264 |
0.967 |
225 |
1275 |
|
|
13 |
Bg |
1009 |
989 |
0.980 |
225 |
1276 |
|
|
13 |
B |
1472 |
1436 |
0.976 |
225 |
1277 |
|
|
14 |
B |
1331 |
1292 |
0.971 |
225 |
1278 |
|
|
14 |
Bu |
3122 |
2983 |
0.955 |
225 |
1279 |
|
|
15 |
Bu |
1487 |
1461 |
0.982 |
225 |
1280 |
|
|
15 |
B |
1171 |
1146 |
0.979 |
225 |
1281 |
|
|
16 |
B |
900 |
890 |
0.989 |
225 |
1282 |
|
|
16 |
Bu |
1272 |
1232 |
0.969 |
225 |
1283 |
|
|
17 |
Bu |
745 |
728 |
0.977 |
225 |
1284 |
|
|
17 |
B |
700 |
693 |
0.991 |
225 |
1285 |
|
|
18 |
B |
411 |
410 |
0.997 |
225 |
1286 |
|
|
18 |
Bu |
220 |
222 |
1.010 |
225 |
1287 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3080 |
2951 |
0.958 |
226 |
1288 |
|
|
2 |
A1 |
1421 |
1386 |
0.975 |
226 |
1289 |
|
|
3 |
A1 |
1091 |
1075 |
0.985 |
226 |
1290 |
|
|
4 |
A1 |
534 |
526 |
0.985 |
226 |
1291 |
|
|
5 |
A1 |
347 |
344 |
0.991 |
226 |
1292 |
|
|
6 |
A2 |
305 |
214 |
0.701 |
226 |
1293 |
|
|
7 |
E |
3171 |
3014 |
0.950 |
226 |
1294 |
|
|
8 |
E |
1489 |
1457 |
0.979 |
226 |
1295 |
|
|
9 |
E |
1111 |
1088 |
0.980 |
226 |
1296 |
|
|
10 |
E |
725 |
724 |
0.999 |
226 |
1297 |
|
|
11 |
E |
347 |
351 |
1.011 |
226 |
1298 |
|
|
12 |
E |
240 |
239 |
0.995 |
226 |
1299 |
C3H6 |
Cyclopropane |
1 |
A1' |
3160 |
3038 |
0.961 |
227 |
1300 |
|
|
2 |
A1' |
1532 |
1479 |
0.966 |
227 |
1301 |
|
|
3 |
A1' |
1219 |
1188 |
0.975 |
227 |
1302 |
|
|
4 |
A1" |
1160 |
1126 |
0.971 |
227 |
1303 |
|
|
5 |
A2' |
1103 |
1070 |
0.970 |
227 |
1304 |
|
|
6 |
A2" |
3251 |
3103 |
0.955 |
227 |
1305 |
|
|
7 |
A2" |
866 |
854 |
0.986 |
227 |
1306 |
|
|
8 |
E' |
3151 |
3025 |
0.960 |
227 |
1307 |
|
|
9 |
E' |
1480 |
1438 |
0.971 |
227 |
1308 |
|
|
10 |
E' |
1065 |
1029 |
0.967 |
227 |
1309 |
|
|
11 |
E' |
898 |
866 |
0.964 |
227 |
1310 |
|
|
12 |
E" |
3230 |
3082 |
0.954 |
227 |
1311 |
|
|
13 |
E" |
1218 |
1188 |
0.975 |
227 |
1312 |
|
|
14 |
E" |
752 |
739 |
0.983 |
227 |
1313 |
CH2CHCH3 |
Propene |
1 |
A' |
3237 |
3090 |
0.955 |
228 |
1314 |
|
|
2 |
A' |
3158 |
3013 |
0.954 |
228 |
1315 |
|
|
3 |
A' |
3146 |
2991 |
0.951 |
228 |
1316 |
|
|
4 |
A' |
3125 |
2954 |
0.945 |
228 |
1317 |
|
|
5 |
A' |
3041 |
2871 |
0.944 |
228 |
1318 |
|
|
6 |
A' |
1737 |
1650 |
0.950 |
228 |
1319 |
|
|
7 |
A' |
1500 |
1470 |
0.980 |
228 |
1320 |
|
|
8 |
A' |
1458 |
1420 |
0.974 |
228 |
1321 |
|
|
9 |
A' |
1413 |
1378 |
0.975 |
228 |
1322 |
|
|
10 |
A' |
1337 |
1297 |
0.970 |
228 |
1323 |
|
|
11 |
A' |
1200 |
1171 |
0.975 |
228 |
1324 |
|
|
12 |
A' |
955 |
963 |
1.008 |
228 |
1325 |
|
|
13 |
A' |
936 |
920 |
0.983 |
228 |
1326 |
|
|
14 |
A' |
436 |
428 |
0.982 |
228 |
1327 |
|
|
15 |
A" |
3099 |
2954 |
0.953 |
228 |
1328 |
|
|
16 |
A" |
1485 |
1443 |
0.972 |
228 |
1329 |
|
|
17 |
A" |
1082 |
1045 |
0.965 |
228 |
1330 |
|
|
18 |
A" |
1036 |
991 |
0.956 |
228 |
1331 |
|
|
19 |
A" |
961 |
912 |
0.949 |
228 |
1332 |
|
|
20 |
A" |
597 |
578 |
0.968 |
228 |
1333 |
|
|
21 |
A" |
200 |
174 |
0.869 |
228 |
1334 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3707 |
3523 |
0.950 |
229 |
1335 |
|
|
2 |
A' |
3295 |
3155 |
0.957 |
229 |
1336 |
|
|
3 |
A' |
3279 |
3137 |
0.957 |
229 |
1337 |
|
|
4 |
A' |
3267 |
3126 |
0.957 |
229 |
1338 |
|
|
5 |
A' |
1592 |
1531 |
0.961 |
229 |
1339 |
|
|
6 |
A' |
1508 |
1447 |
0.960 |
229 |
1340 |
|
|
7 |
A' |
1445 |
1395 |
0.965 |
229 |
1341 |
|
|
8 |
A' |
1409 |
1358 |
0.964 |
229 |
1342 |
|
|
9 |
A' |
1304 |
1254 |
0.962 |
229 |
1343 |
|
|
10 |
A' |
1201 |
1159 |
0.965 |
229 |
1344 |
|
|
11 |
A' |
1163 |
1121 |
0.964 |
229 |
1345 |
|
|
12 |
A' |
1068 |
1054 |
0.987 |
229 |
1346 |
|
|
13 |
A' |
1056 |
1009 |
0.955 |
229 |
1347 |
|
|
14 |
A' |
947 |
924 |
0.976 |
229 |
1348 |
|
|
15 |
A' |
929 |
908 |
0.977 |
229 |
1349 |
|
|
16 |
A" |
930 |
879 |
0.946 |
229 |
1350 |
|
|
17 |
A" |
872 |
833 |
0.955 |
229 |
1351 |
|
|
18 |
A" |
769 |
745 |
0.969 |
229 |
1352 |
|
|
19 |
A" |
702 |
674 |
0.960 |
229 |
1353 |
|
|
20 |
A" |
646 |
623 |
0.964 |
229 |
1354 |
|
|
21 |
A" |
568 |
516 |
0.909 |
229 |
1355 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3705 |
3517 |
0.949 |
230 |
1356 |
|
|
2 |
A' |
3301 |
3143 |
0.952 |
230 |
1357 |
|
|
3 |
A' |
3269 |
3123 |
0.955 |
230 |
1358 |
|
|
4 |
A' |
3266 |
3110 |
0.952 |
230 |
1359 |
|
|
5 |
A' |
1582 |
1448 |
0.915 |
230 |
1360 |
|
|
6 |
A' |
1525 |
1404 |
0.921 |
230 |
1361 |
|
|
7 |
A' |
1460 |
1328 |
0.909 |
230 |
1362 |
|
|
8 |
A' |
1391 |
1265 |
0.909 |
230 |
1363 |
|
|
9 |
A' |
1289 |
1188 |
0.921 |
230 |
1364 |
|
|
10 |
A' |
1185 |
1098 |
0.926 |
230 |
1365 |
|
|
11 |
A' |
1157 |
1062 |
0.918 |
230 |
1366 |
|
|
12 |
A' |
1110 |
1013 |
0.913 |
230 |
1367 |
|
|
13 |
A' |
1085 |
988 |
0.911 |
230 |
1368 |
|
|
14 |
A' |
950 |
923 |
0.971 |
230 |
1369 |
|
|
15 |
A' |
909 |
898 |
0.988 |
230 |
1370 |
|
|
16 |
A" |
901 |
831 |
0.922 |
230 |
1371 |
|
|
17 |
A" |
838 |
758 |
0.905 |
230 |
1372 |
|
|
18 |
A" |
744 |
674 |
0.906 |
230 |
1373 |
|
|
19 |
A" |
687 |
663 |
0.964 |
230 |
1374 |
|
|
20 |
A" |
653 |
621 |
0.950 |
230 |
1375 |
|
|
21 |
A" |
555 |
539 |
0.972 |
230 |
1376 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3201 |
3042 |
0.950 |
231 |
1377 |
|
|
2 |
A1' |
1168 |
1132 |
0.970 |
231 |
1378 |
|
|
3 |
A1' |
1025 |
992 |
0.967 |
231 |
1379 |
|
|
4 |
A2' |
1414 |
1278 |
0.904 |
231 |
1380 |
|
|
5 |
A2' |
1177 |
1068 |
0.908 |
231 |
1381 |
|
|
6 |
A2" |
967 |
925 |
0.956 |
231 |
1382 |
|
|
7 |
A2" |
759 |
737 |
0.971 |
231 |
1383 |
|
|
8 |
E' |
3196 |
3056 |
0.956 |
231 |
1384 |
|
|
9 |
E' |
1637 |
1555 |
0.950 |
231 |
1385 |
|
|
10 |
E' |
1462 |
1410 |
0.964 |
231 |
1386 |
|
|
11 |
E' |
1215 |
1176 |
0.968 |
231 |
1387 |
|
|
12 |
E' |
694 |
657 |
0.947 |
231 |
1388 |
|
|
13 |
E" |
1058 |
830 |
0.785 |
231 |
1389 |
|
|
14 |
E" |
352 |
340 |
0.967 |
231 |
1390 |
CH3CH2OH |
Ethanol |
1 |
A' |
3916 |
3653 |
0.933 |
232 |
1391 |
|
|
2 |
A' |
3135 |
2984 |
0.952 |
232 |
1392 |
|
|
3 |
A' |
3056 |
2939 |
0.962 |
232 |
1393 |
|
|
4 |
A' |
3005 |
2900 |
0.965 |
232 |
1394 |
|
|
5 |
A' |
1533 |
1490 |
0.972 |
232 |
1395 |
|
|
6 |
A' |
1507 |
1464 |
0.971 |
232 |
1396 |
|
|
7 |
A' |
1462 |
1412 |
0.966 |
232 |
1397 |
|
|
8 |
A' |
1408 |
1371 |
0.974 |
232 |
1398 |
|
|
9 |
A' |
1281 |
1256 |
0.980 |
232 |
1399 |
|
|
10 |
A' |
1127 |
1091 |
0.968 |
232 |
1400 |
|
|
11 |
A' |
1049 |
1028 |
0.979 |
232 |
1401 |
|
|
12 |
A' |
913 |
888 |
0.972 |
232 |
1402 |
|
|
13 |
A' |
423 |
417 |
0.985 |
232 |
1403 |
|
|
14 |
A" |
3136 |
2991 |
0.954 |
232 |
1404 |
|
|
15 |
A" |
3036 |
2910 |
0.958 |
232 |
1405 |
|
|
16 |
A" |
1489 |
1446 |
0.971 |
232 |
1406 |
|
|
17 |
A" |
1312 |
1275 |
0.972 |
232 |
1407 |
|
|
18 |
A" |
1188 |
1161 |
0.977 |
232 |
1408 |
|
|
19 |
A" |
827 |
812 |
0.982 |
232 |
1409 |
|
|
20 |
A" |
284 |
251 |
0.884 |
232 |
1410 |
|
|
21 |
A" |
240 |
200 |
0.833 |
232 |
1411 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3136 |
2996 |
0.955 |
233 |
1412 |
|
|
2 |
A1 |
2989 |
2817 |
0.942 |
233 |
1413 |
|
|
3 |
A1 |
1519 |
1464 |
0.964 |
233 |
1414 |
|
|
4 |
A1 |
1498 |
1452 |
0.969 |
233 |
1415 |
|
|
5 |
A1 |
1279 |
1244 |
0.973 |
233 |
1416 |
|
|
6 |
A1 |
970 |
928 |
0.956 |
233 |
1417 |
|
|
7 |
A1 |
424 |
418 |
0.986 |
233 |
1418 |
|
|
8 |
A2 |
3036 |
2952 |
0.972 |
233 |
1419 |
|
|
9 |
A2 |
1491 |
1464 |
0.982 |
233 |
1420 |
|
|
10 |
A2 |
1173 |
1150 |
0.981 |
233 |
1421 |
|
|
11 |
A2 |
204 |
203 |
0.995 |
233 |
1422 |
|
|
12 |
B1 |
3029 |
2925 |
0.966 |
233 |
1423 |
|
|
13 |
B1 |
1502 |
1464 |
0.975 |
233 |
1424 |
|
|
14 |
B1 |
1204 |
1179 |
0.979 |
233 |
1425 |
|
|
15 |
B1 |
253 |
242 |
0.956 |
233 |
1426 |
|
|
16 |
B2 |
3135 |
2996 |
0.956 |
233 |
1427 |
|
|
17 |
B2 |
2980 |
2817 |
0.945 |
233 |
1428 |
|
|
18 |
B2 |
1502 |
1464 |
0.974 |
233 |
1429 |
|
|
19 |
B2 |
1467 |
1452 |
0.990 |
233 |
1430 |
|
|
20 |
B2 |
1229 |
1227 |
0.998 |
233 |
1431 |
|
|
21 |
B2 |
1138 |
1102 |
0.968 |
233 |
1432 |
C4H4O |
Furan |
1 |
A1 |
3302 |
3161 |
0.957 |
234 |
1433 |
|
|
2 |
A1 |
3276 |
3140 |
0.958 |
234 |
1434 |
|
|
3 |
A1 |
1540 |
1491 |
0.968 |
234 |
1435 |
|
|
4 |
A1 |
1436 |
1384 |
0.964 |
234 |
1436 |
|
|
5 |
A1 |
1178 |
1140 |
0.968 |
234 |
1437 |
|
|
6 |
A1 |
1108 |
1066 |
0.962 |
234 |
1438 |
|
|
7 |
A1 |
1026 |
995 |
0.970 |
234 |
1439 |
|
|
8 |
A1 |
893 |
871 |
0.975 |
234 |
1440 |
|
|
9 |
A2 |
915 |
838 |
0.916 |
234 |
1441 |
|
|
10 |
A2 |
762 |
728 |
0.955 |
234 |
1442 |
|
|
11 |
A2 |
623 |
603 |
0.968 |
234 |
1443 |
|
|
12 |
B1 |
887 |
863 |
0.973 |
234 |
1444 |
|
|
13 |
B1 |
776 |
745 |
0.960 |
234 |
1445 |
|
|
14 |
B1 |
632 |
613 |
0.970 |
234 |
1446 |
|
|
15 |
B2 |
3295 |
3154 |
0.957 |
234 |
1447 |
|
|
16 |
B2 |
3266 |
3129 |
0.958 |
234 |
1448 |
|
|
17 |
B2 |
1621 |
1556 |
0.960 |
234 |
1449 |
|
|
18 |
B2 |
1301 |
1267 |
0.974 |
234 |
1450 |
|
|
19 |
B2 |
1236 |
1180 |
0.954 |
234 |
1451 |
|
|
20 |
B2 |
1078 |
1040 |
0.965 |
234 |
1452 |
|
|
21 |
B2 |
898 |
873 |
0.972 |
234 |
1453 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3116 |
3001 |
0.963 |
235 |
1454 |
|
|
2 |
A' |
3108 |
2935 |
0.944 |
235 |
1455 |
|
|
3 |
A' |
1950 |
1882 |
0.965 |
235 |
1456 |
|
|
4 |
A' |
1519 |
1475 |
0.971 |
235 |
1457 |
|
|
5 |
A' |
1453 |
1427 |
0.982 |
235 |
1458 |
|
|
6 |
A' |
1360 |
1319 |
0.970 |
235 |
1459 |
|
|
7 |
A' |
1240 |
1199 |
0.967 |
235 |
1460 |
|
|
8 |
A' |
1144 |
1093 |
0.956 |
235 |
1461 |
|
|
9 |
A' |
1032 |
1005 |
0.974 |
235 |
1462 |
|
|
10 |
A' |
984 |
924 |
0.939 |
235 |
1463 |
|
|
11 |
A' |
908 |
891 |
0.982 |
235 |
1464 |
|
|
12 |
A' |
765 |
746 |
0.975 |
235 |
1465 |
|
|
13 |
A' |
502 |
513 |
1.022 |
235 |
1466 |
|
|
14 |
A" |
3181 |
3028 |
0.952 |
235 |
1467 |
|
|
15 |
A" |
3166 |
3000 |
0.948 |
235 |
1468 |
|
|
16 |
A" |
1212 |
1184 |
0.977 |
235 |
1469 |
|
|
17 |
A" |
1164 |
1139 |
0.978 |
235 |
1470 |
|
|
18 |
A" |
1068 |
1046 |
0.979 |
235 |
1471 |
|
|
19 |
A" |
800 |
790 |
0.988 |
235 |
1472 |
|
|
20 |
A" |
518 |
490 |
0.947 |
235 |
1473 |
|
|
21 |
A" |
170 |
113 |
0.665 |
235 |
1474 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3135 |
2966 |
0.946 |
236 |
1475 |
|
|
1 |
A |
3143 |
2980 |
0.948 |
236 |
1476 |
|
|
2 |
A |
3123 |
2967 |
0.950 |
236 |
1477 |
|
|
2 |
A' |
3087 |
2872 |
0.930 |
236 |
1478 |
|
|
3 |
A' |
3058 |
2872 |
0.939 |
236 |
1479 |
|
|
3 |
A |
3115 |
2930 |
0.941 |
236 |
1480 |
|
|
4 |
A |
3082 |
2902 |
0.941 |
236 |
1481 |
|
|
4 |
A' |
2747 |
2580 |
0.939 |
236 |
1482 |
|
|
5 |
A' |
1511 |
1453 |
0.962 |
236 |
1483 |
|
|
5 |
A |
3047 |
2875 |
0.944 |
236 |
1484 |
|
|
6 |
A |
2730 |
2591 |
0.949 |
236 |
1485 |
|
|
6 |
A' |
1498 |
1453 |
0.970 |
236 |
1486 |
|
|
7 |
A' |
1424 |
1385 |
0.972 |
236 |
1487 |
|
|
7 |
A |
1503 |
1462 |
0.973 |
236 |
1488 |
|
|
8 |
A |
1497 |
1452 |
0.970 |
236 |
1489 |
|
|
8 |
A' |
1304 |
1309 |
1.004 |
236 |
1490 |
|
|
9 |
A' |
1120 |
1097 |
0.980 |
236 |
1491 |
|
|
9 |
A |
1486 |
1437 |
0.967 |
236 |
1492 |
|
|
10 |
A |
1420 |
1377 |
0.970 |
236 |
1493 |
|
|
10 |
A' |
1006 |
978 |
0.972 |
236 |
1494 |
|
|
11 |
A' |
862 |
870 |
1.009 |
236 |
1495 |
|
|
11 |
A |
1316 |
1269 |
0.964 |
236 |
1496 |
|
|
12 |
A |
1289 |
1246 |
0.967 |
236 |
1497 |
|
|
12 |
A' |
686 |
660 |
0.962 |
236 |
1498 |
|
|
13 |
A' |
307 |
332 |
1.081 |
236 |
1499 |
|
|
13 |
A |
1128 |
1093 |
0.969 |
236 |
1500 |
|
|
14 |
A |
1076 |
1051 |
0.977 |
236 |
1501 |
|
|
14 |
A" |
3147 |
2966 |
0.942 |
236 |
1502 |
|
|
15 |
A" |
3124 |
2930 |
0.938 |
236 |
1503 |
|
|
15 |
A |
998 |
970 |
0.972 |
236 |
1504 |
|
|
16 |
A |
883 |
867 |
0.982 |
236 |
1505 |
|
|
16 |
A" |
1493 |
1453 |
0.973 |
236 |
1506 |
|
|
17 |
A" |
1273 |
1269 |
0.997 |
236 |
1507 |
|
|
17 |
A |
743 |
735 |
0.989 |
236 |
1508 |
|
|
18 |
A |
670 |
658 |
0.982 |
236 |
1509 |
|
|
18 |
A" |
1050 |
1049 |
0.999 |
236 |
1510 |
|
|
19 |
A" |
797 |
745 |
0.935 |
236 |
1511 |
|
|
19 |
A |
334 |
319 |
0.955 |
236 |
1512 |
|
|
20 |
A |
257 |
|
|
236 |
1513 |
|
|
21 |
A |
205 |
|
|
236 |
1514 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3156 |
2997 |
0.950 |
237 |
1515 |
|
|
2 |
A1 |
3049 |
2925 |
0.959 |
237 |
1516 |
|
|
3 |
A1 |
1492 |
1447 |
0.970 |
237 |
1517 |
|
|
4 |
A1 |
1375 |
1337 |
0.973 |
237 |
1518 |
|
|
5 |
A1 |
1058 |
1030 |
0.973 |
237 |
1519 |
|
|
6 |
A1 |
710 |
695 |
0.978 |
237 |
1520 |
|
|
7 |
A1 |
270 |
280 |
1.035 |
237 |
1521 |
|
|
8 |
A2 |
3135 |
2970 |
0.947 |
237 |
1522 |
|
|
9 |
A2 |
1471 |
1427 |
0.970 |
237 |
1523 |
|
|
10 |
A2 |
962 |
946 |
0.983 |
237 |
1524 |
|
|
11 |
A2 |
182 |
175 |
0.960 |
237 |
1525 |
|
|
12 |
B1 |
3127 |
2970 |
0.950 |
237 |
1526 |
|
|
13 |
B1 |
1480 |
1439 |
0.972 |
237 |
1527 |
|
|
14 |
B1 |
997 |
973 |
0.976 |
237 |
1528 |
|
|
15 |
B1 |
188 |
183 |
0.973 |
237 |
1529 |
|
|
16 |
B2 |
3157 |
2999 |
0.950 |
237 |
1530 |
|
|
17 |
B2 |
3053 |
2919 |
0.956 |
237 |
1531 |
|
|
18 |
B2 |
1485 |
1442 |
0.971 |
237 |
1532 |
|
|
19 |
B2 |
1352 |
1315 |
0.973 |
237 |
1533 |
|
|
20 |
B2 |
920 |
903 |
0.981 |
237 |
1534 |
|
|
21 |
B2 |
763 |
742 |
0.973 |
237 |
1535 |
C4H4S |
Thiophene |
1 |
A1 |
3270 |
3126 |
0.956 |
238 |
1536 |
|
|
2 |
A1 |
3233 |
3098 |
0.958 |
238 |
1537 |
|
|
3 |
A1 |
1468 |
1409 |
0.960 |
238 |
1538 |
|
|
4 |
A1 |
1411 |
1360 |
0.964 |
238 |
1539 |
|
|
5 |
A1 |
1100 |
1083 |
0.985 |
238 |
1540 |
|
|
6 |
A1 |
1061 |
1036 |
0.976 |
238 |
1541 |
|
|
7 |
A1 |
859 |
872 |
1.016 |
238 |
1542 |
|
|
8 |
A1 |
621 |
608 |
0.979 |
238 |
1543 |
|
|
9 |
A2 |
949 |
867 |
0.913 |
238 |
1544 |
|
|
10 |
A2 |
701 |
688 |
0.981 |
238 |
1545 |
|
|
11 |
A2 |
584 |
567 |
0.971 |
238 |
1546 |
|
|
12 |
B1 |
911 |
839 |
0.921 |
238 |
1547 |
|
|
13 |
B1 |
735 |
712 |
0.969 |
238 |
1548 |
|
|
14 |
B1 |
464 |
452 |
0.975 |
238 |
1549 |
|
|
15 |
B2 |
3267 |
3125 |
0.956 |
238 |
1550 |
|
|
16 |
B2 |
3220 |
3086 |
0.959 |
238 |
1551 |
|
|
17 |
B2 |
1582 |
1504 |
0.951 |
238 |
1552 |
|
|
18 |
B2 |
1284 |
1256 |
0.978 |
238 |
1553 |
|
|
19 |
B2 |
1105 |
1085 |
0.982 |
238 |
1554 |
|
|
20 |
B2 |
894 |
903 |
1.010 |
238 |
1555 |
|
|
21 |
B2 |
769 |
751 |
0.977 |
238 |
1556 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3252 |
3087 |
0.949 |
239 |
1557 |
|
|
2 |
Ag |
3167 |
3003 |
0.948 |
239 |
1558 |
|
|
3 |
Ag |
3156 |
2992 |
0.948 |
239 |
1559 |
|
|
4 |
Ag |
1744 |
1630 |
0.934 |
239 |
1560 |
|
|
5 |
Ag |
1482 |
1438 |
0.970 |
239 |
1561 |
|
|
6 |
Ag |
1318 |
1280 |
0.971 |
239 |
1562 |
|
|
7 |
Ag |
1232 |
1196 |
0.970 |
239 |
1563 |
|
|
8 |
Ag |
907 |
894 |
0.986 |
239 |
1564 |
|
|
9 |
Ag |
524 |
512 |
0.976 |
239 |
1565 |
|
|
10 |
Au |
1051 |
1013 |
0.964 |
239 |
1566 |
|
|
11 |
Au |
952 |
908 |
0.954 |
239 |
1567 |
|
|
12 |
Au |
524 |
522 |
0.997 |
239 |
1568 |
|
|
13 |
Au |
155 |
162 |
1.048 |
239 |
1569 |
|
|
14 |
Bg |
1003 |
976 |
0.973 |
239 |
1570 |
|
|
15 |
Bg |
947 |
912 |
0.963 |
239 |
1571 |
|
|
16 |
Bg |
781 |
770 |
0.986 |
239 |
1572 |
|
|
17 |
Bu |
3252 |
3101 |
0.954 |
239 |
1573 |
|
|
18 |
Bu |
3171 |
3055 |
0.963 |
239 |
1574 |
|
|
19 |
Bu |
3159 |
2984 |
0.945 |
239 |
1575 |
|
|
20 |
Bu |
1680 |
1596 |
0.950 |
239 |
1576 |
|
|
21 |
Bu |
1427 |
1381 |
0.968 |
239 |
1577 |
|
|
22 |
Bu |
1320 |
1294 |
0.980 |
239 |
1578 |
|
|
23 |
Bu |
1008 |
990 |
0.982 |
239 |
1579 |
|
|
24 |
Bu |
303 |
301 |
0.992 |
239 |
1580 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3059 |
2916 |
0.953 |
240 |
1581 |
|
|
2 |
A1' |
2395 |
2240 |
0.935 |
240 |
1582 |
|
|
3 |
A1' |
1422 |
1380 |
0.970 |
240 |
1583 |
|
|
4 |
A1' |
729 |
725 |
0.994 |
240 |
1584 |
|
|
6 |
A2" |
3059 |
2938 |
0.960 |
240 |
1585 |
|
|
7 |
A2" |
1420 |
1382 |
0.973 |
240 |
1586 |
|
|
8 |
A2" |
1175 |
1152 |
0.981 |
240 |
1587 |
|
|
9 |
E' |
3128 |
2973 |
0.951 |
240 |
1588 |
|
|
10 |
E' |
1491 |
1456 |
0.977 |
240 |
1589 |
|
|
11 |
E' |
1070 |
1054 |
0.985 |
240 |
1590 |
|
|
12 |
E' |
200 |
213 |
1.063 |
240 |
1591 |
|
|
13 |
E" |
3128 |
2966 |
0.948 |
240 |
1592 |
|
|
14 |
E" |
1491 |
1448 |
0.971 |
240 |
1593 |
|
|
15 |
E" |
1055 |
1029 |
0.975 |
240 |
1594 |
|
|
16 |
E" |
408 |
371 |
0.910 |
240 |
1595 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3163 |
3061 |
0.968 |
241 |
1596 |
|
|
2 |
A' |
3153 |
3010 |
0.955 |
241 |
1597 |
|
|
3 |
A' |
3145 |
2965 |
0.943 |
241 |
1598 |
|
|
4 |
A' |
3049 |
2905 |
0.953 |
241 |
1599 |
|
|
5 |
A' |
2082 |
1970 |
0.946 |
241 |
1600 |
|
|
6 |
A' |
1512 |
1453 |
0.961 |
241 |
1601 |
|
|
7 |
A' |
1482 |
1437 |
0.970 |
241 |
1602 |
|
|
8 |
A' |
1409 |
1389 |
0.986 |
241 |
1603 |
|
|
9 |
A' |
1368 |
1330 |
0.972 |
241 |
1604 |
|
|
10 |
A' |
1157 |
1132 |
0.978 |
241 |
1605 |
|
|
11 |
A' |
1098 |
1074 |
0.978 |
241 |
1606 |
|
|
12 |
A' |
889 |
876 |
0.986 |
241 |
1607 |
|
|
13 |
A' |
882 |
859 |
0.974 |
241 |
1608 |
|
|
14 |
A' |
579 |
555 |
0.959 |
241 |
1609 |
|
|
15 |
A' |
209 |
210 |
1.005 |
241 |
1610 |
|
|
16 |
A" |
3232 |
3061 |
0.947 |
241 |
1611 |
|
|
17 |
A" |
3108 |
2965 |
0.954 |
241 |
1612 |
|
|
18 |
A" |
1482 |
1453 |
0.980 |
241 |
1613 |
|
|
19 |
A" |
1063 |
1110 |
1.045 |
241 |
1614 |
|
|
20 |
A" |
1034 |
1011 |
0.978 |
241 |
1615 |
|
|
21 |
A" |
891 |
842 |
0.945 |
241 |
1616 |
|
|
22 |
A" |
532 |
523 |
0.984 |
241 |
1617 |
|
|
23 |
A" |
346 |
322 |
0.930 |
241 |
1618 |
C4H6 |
Cyclobutene |
1 |
A1 |
3235 |
3060 |
0.946 |
242 |
1619 |
|
|
2 |
A1 |
3074 |
2935 |
0.955 |
242 |
1620 |
|
|
3 |
A1 |
1666 |
1570 |
0.943 |
242 |
1621 |
|
|
4 |
A1 |
1505 |
1450 |
0.963 |
242 |
1622 |
|
|
5 |
A1 |
1243 |
1276 |
1.026 |
242 |
1623 |
|
|
6 |
A1 |
1156 |
1186 |
1.026 |
242 |
1624 |
|
|
7 |
A1 |
1018 |
1113 |
1.094 |
242 |
1625 |
|
|
8 |
A1 |
912 |
886 |
0.972 |
242 |
1626 |
|
|
9 |
A2 |
3111 |
2955 |
0.950 |
242 |
1627 |
|
|
10 |
A2 |
1192 |
1276 |
1.070 |
242 |
1628 |
|
|
11 |
A2 |
1054 |
1081 |
1.025 |
242 |
1629 |
|
|
12 |
A2 |
967 |
850 |
0.879 |
242 |
1630 |
|
|
13 |
A2 |
330 |
325 |
0.983 |
242 |
1631 |
|
|
14 |
B1 |
3125 |
2955 |
0.946 |
242 |
1632 |
|
|
15 |
B1 |
1120 |
1074 |
0.959 |
242 |
1633 |
|
|
16 |
B1 |
890 |
846 |
0.951 |
242 |
1634 |
|
|
17 |
B1 |
669 |
635 |
0.949 |
242 |
1635 |
|
|
18 |
B2 |
3203 |
3047 |
0.951 |
242 |
1636 |
|
|
19 |
B2 |
3069 |
2916 |
0.950 |
242 |
1637 |
|
|
20 |
B2 |
1482 |
1427 |
0.963 |
242 |
1638 |
|
|
21 |
B2 |
1347 |
1294 |
0.961 |
242 |
1639 |
|
|
22 |
B2 |
1262 |
1214 |
0.962 |
242 |
1640 |
|
|
23 |
B2 |
917 |
888 |
0.968 |
242 |
1641 |
|
|
24 |
B2 |
868 |
740 |
0.852 |
242 |
1642 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3147 |
3010 |
0.956 |
243 |
1643 |
|
|
2 |
A1 |
3140 |
3002 |
0.956 |
243 |
1644 |
|
|
3 |
A1 |
1863 |
1743 |
0.936 |
243 |
1645 |
|
|
4 |
A1 |
1494 |
1437 |
0.962 |
243 |
1646 |
|
|
5 |
A1 |
1453 |
1410 |
0.970 |
243 |
1647 |
|
|
6 |
A1 |
1068 |
1036 |
0.970 |
243 |
1648 |
|
|
7 |
A1 |
1040 |
1002 |
0.964 |
243 |
1649 |
|
|
8 |
A1 |
752 |
723 |
0.961 |
243 |
1650 |
|
|
9 |
A2 |
3216 |
3051 |
0.949 |
243 |
1651 |
|
|
10 |
A2 |
1179 |
1144 |
0.971 |
243 |
1652 |
|
|
11 |
A2 |
959 |
937 |
0.978 |
243 |
1653 |
|
|
12 |
A2 |
626 |
616 |
0.984 |
243 |
1654 |
|
|
13 |
B1 |
3228 |
3071 |
0.951 |
243 |
1655 |
|
|
14 |
B1 |
1102 |
1072 |
0.973 |
243 |
1656 |
|
|
15 |
B1 |
941 |
889 |
0.945 |
243 |
1657 |
|
|
16 |
B1 |
771 |
748 |
0.971 |
243 |
1658 |
|
|
17 |
B1 |
293 |
360 |
1.228 |
243 |
1659 |
|
|
18 |
B2 |
3233 |
3086 |
0.955 |
243 |
1660 |
|
|
19 |
B2 |
3138 |
2999 |
0.956 |
243 |
1661 |
|
|
20 |
B2 |
1459 |
1353 |
0.928 |
243 |
1662 |
|
|
21 |
B2 |
1153 |
1174 |
1.018 |
243 |
1663 |
|
|
22 |
B2 |
1079 |
1125 |
1.043 |
243 |
1664 |
|
|
23 |
B2 |
908 |
792 |
0.872 |
243 |
1665 |
|
|
24 |
B2 |
355 |
290 |
0.818 |
243 |
1666 |
C4H6 |
Bicyclo[1.1.0]butane |
1 |
A1 |
3276 |
3131 |
0.956 |
244 |
1667 |
|
|
2 |
A1 |
3194 |
3044 |
0.953 |
244 |
1668 |
|
|
3 |
A1 |
3083 |
2935 |
0.952 |
244 |
1669 |
|
|
4 |
A1 |
1545 |
1501 |
0.972 |
244 |
1670 |
|
|
5 |
A1 |
1302 |
1266 |
0.973 |
244 |
1671 |
|
|
6 |
A1 |
1122 |
1081 |
0.963 |
244 |
1672 |
|
|
7 |
A1 |
886 |
839 |
0.946 |
244 |
1673 |
|
|
8 |
A1 |
714 |
657 |
0.920 |
244 |
1674 |
|
|
9 |
A1 |
447 |
423 |
0.946 |
244 |
1675 |
|
|
10 |
A2 |
1195 |
1172 |
0.981 |
244 |
1676 |
|
|
11 |
A2 |
1073 |
1063 |
0.990 |
244 |
1677 |
|
|
12 |
A2 |
935 |
909 |
0.972 |
244 |
1678 |
|
|
13 |
A2 |
864 |
838 |
0.970 |
244 |
1679 |
|
|
14 |
B1 |
3263 |
3120 |
0.956 |
244 |
1680 |
|
|
15 |
B1 |
1179 |
1110 |
0.941 |
244 |
1681 |
|
|
16 |
B1 |
1125 |
1092 |
0.971 |
244 |
1682 |
|
|
17 |
B1 |
1018 |
980 |
0.962 |
244 |
1683 |
|
|
18 |
B1 |
759 |
737 |
0.971 |
244 |
1684 |
|
|
19 |
B2 |
3195 |
3044 |
0.953 |
244 |
1685 |
|
|
20 |
B2 |
3089 |
2969 |
0.961 |
244 |
1686 |
|
|
21 |
B2 |
1507 |
1485 |
0.985 |
244 |
1687 |
|
|
22 |
B2 |
1331 |
1261 |
0.948 |
244 |
1688 |
|
|
23 |
B2 |
1110 |
1081 |
0.974 |
244 |
1689 |
|
|
24 |
B2 |
964 |
935 |
0.970 |
244 |
1690 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3530 |
3345 |
0.948 |
245 |
1691 |
|
|
2 |
A' |
3115 |
2985 |
0.958 |
245 |
1692 |
|
|
3 |
A' |
3056 |
2840 |
0.929 |
245 |
1693 |
|
|
4 |
A' |
3036 |
2860 |
0.942 |
245 |
1694 |
|
|
5 |
A' |
1662 |
1622 |
0.976 |
245 |
1695 |
|
|
6 |
A' |
1504 |
1487 |
0.989 |
245 |
1696 |
|
|
7 |
A' |
1485 |
1465 |
0.986 |
245 |
1697 |
|
|
8 |
A' |
1419 |
1378 |
0.971 |
245 |
1698 |
|
|
9 |
A' |
1392 |
1397 |
1.004 |
245 |
1699 |
|
|
10 |
A' |
1161 |
1016 |
0.875 |
245 |
1700 |
|
|
11 |
A' |
1084 |
1086 |
1.002 |
245 |
1701 |
|
|
12 |
A' |
903 |
892 |
0.987 |
245 |
1702 |
|
|
13 |
A' |
845 |
773 |
0.915 |
245 |
1703 |
|
|
14 |
A' |
411 |
403 |
0.981 |
245 |
1704 |
|
|
15 |
A" |
3609 |
3412 |
0.945 |
245 |
1705 |
|
|
16 |
A" |
3114 |
2924 |
0.939 |
245 |
1706 |
|
|
17 |
A" |
3085 |
2906 |
0.942 |
245 |
1707 |
|
|
18 |
A" |
1499 |
1455 |
0.971 |
245 |
1708 |
|
|
19 |
A" |
1396 |
1238 |
0.887 |
245 |
1709 |
|
|
20 |
A" |
1273 |
1293 |
1.015 |
245 |
1710 |
|
|
21 |
A" |
1013 |
1117 |
1.103 |
245 |
1711 |
|
|
22 |
A" |
775 |
816 |
1.053 |
245 |
1712 |
|
|
23 |
A" |
273 |
259 |
0.947 |
245 |
1713 |
|
|
24 |
A" |
227 |
218 |
0.959 |
245 |
1714 |
C4H5N |
Pyrrole |
1 |
A1 |
3716 |
3531 |
0.950 |
246 |
1715 |
|
|
2 |
A1 |
3292 |
3149 |
0.956 |
246 |
1716 |
|
|
3 |
A1 |
3267 |
3128 |
0.957 |
246 |
1717 |
|
|
4 |
A1 |
1526 |
1472 |
0.965 |
246 |
1718 |
|
|
5 |
A1 |
1435 |
1401 |
0.977 |
246 |
1719 |
|
|
6 |
A1 |
1191 |
1148 |
0.964 |
246 |
1720 |
|
|
7 |
A1 |
1102 |
1075 |
0.975 |
246 |
1721 |
|
|
8 |
A1 |
1035 |
1017 |
0.982 |
246 |
1722 |
|
|
9 |
A1 |
904 |
882 |
0.975 |
246 |
1723 |
|
|
10 |
A2 |
917 |
864 |
0.943 |
246 |
1724 |
|
|
11 |
A2 |
710 |
692 |
0.975 |
246 |
1725 |
|
|
12 |
A2 |
636 |
614 |
0.965 |
246 |
1726 |
|
|
13 |
B1 |
869 |
827 |
0.951 |
246 |
1727 |
|
|
14 |
B1 |
747 |
722 |
0.967 |
246 |
1728 |
|
|
15 |
B1 |
649 |
621 |
0.956 |
246 |
1729 |
|
|
16 |
B1 |
518 |
475 |
0.916 |
246 |
1730 |
|
|
17 |
B2 |
3287 |
3143 |
0.956 |
246 |
1731 |
|
|
18 |
B2 |
3255 |
3119 |
0.958 |
246 |
1732 |
|
|
19 |
B2 |
1596 |
1519 |
0.951 |
246 |
1733 |
|
|
20 |
B2 |
1478 |
1424 |
0.964 |
246 |
1734 |
|
|
21 |
B2 |
1320 |
1288 |
0.976 |
246 |
1735 |
|
|
22 |
B2 |
1173 |
1134 |
0.966 |
246 |
1736 |
|
|
23 |
B2 |
1072 |
1049 |
0.978 |
246 |
1737 |
|
|
24 |
B2 |
884 |
866 |
0.979 |
246 |
1738 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3269 |
3120 |
0.954 |
247 |
1739 |
|
|
2 |
A' |
3208 |
3052 |
0.951 |
247 |
1740 |
|
|
3 |
A' |
3173 |
3044 |
0.959 |
247 |
1741 |
|
|
4 |
A' |
2387 |
2264 |
0.948 |
247 |
1742 |
|
|
5 |
A' |
1518 |
1468 |
0.967 |
247 |
1743 |
|
|
6 |
A' |
1399 |
1344 |
0.961 |
247 |
1744 |
|
|
7 |
A' |
1223 |
1195 |
0.977 |
247 |
1745 |
|
|
8 |
A' |
1145 |
1125 |
0.982 |
247 |
1746 |
|
|
9 |
A' |
1073 |
1049 |
0.977 |
247 |
1747 |
|
|
10 |
A' |
971 |
941 |
0.969 |
247 |
1748 |
|
|
11 |
A' |
825 |
808 |
0.979 |
247 |
1749 |
|
|
12 |
A' |
762 |
736 |
0.966 |
247 |
1750 |
|
|
13 |
A' |
540 |
527 |
0.976 |
247 |
1751 |
|
|
14 |
A' |
202 |
222 |
1.100 |
247 |
1752 |
|
|
15 |
A" |
3256 |
3094 |
0.950 |
247 |
1753 |
|
|
16 |
A" |
3169 |
3040 |
0.959 |
247 |
1754 |
|
|
17 |
A" |
1480 |
1442 |
0.974 |
247 |
1755 |
|
|
18 |
A" |
1209 |
1180 |
0.976 |
247 |
1756 |
|
|
19 |
A" |
1112 |
1070 |
0.962 |
247 |
1757 |
|
|
20 |
A" |
1099 |
1088 |
0.990 |
247 |
1758 |
|
|
21 |
A" |
925 |
880 |
0.951 |
247 |
1759 |
|
|
22 |
A" |
830 |
821 |
0.990 |
247 |
1760 |
|
|
23 |
A" |
561 |
543 |
0.968 |
247 |
1761 |
|
|
24 |
A" |
212 |
222 |
1.045 |
247 |
1762 |
C4H4N2 |
Succinonitrile |
1 |
Ag |
3085 |
2947 |
0.955 |
248 |
1763 |
|
|
2 |
Ag |
2401 |
2254 |
0.939 |
248 |
1764 |
|
|
3 |
Ag |
1468 |
1422 |
0.969 |
248 |
1765 |
|
|
4 |
Ag |
1405 |
1328 |
0.945 |
248 |
1766 |
|
|
5 |
Ag |
1042 |
1023 |
0.982 |
248 |
1767 |
|
|
6 |
Ag |
979 |
809 |
0.826 |
248 |
1768 |
|
|
7 |
Ag |
525 |
508 |
0.968 |
248 |
1769 |
|
|
8 |
Ag |
226 |
187 |
0.826 |
248 |
1770 |
|
|
9 |
Au |
3144 |
2985 |
0.949 |
248 |
1771 |
|
|
10 |
Au |
1227 |
1197 |
0.975 |
248 |
1772 |
|
|
11 |
Au |
770 |
760 |
0.987 |
248 |
1773 |
|
|
12 |
Au |
404 |
357 |
0.885 |
248 |
1774 |
|
|
13 |
Au |
84 |
|
|
248 |
1775 |
|
|
14 |
Bg |
3126 |
2982 |
0.954 |
248 |
1776 |
|
|
15 |
Bg |
1331 |
1226 |
0.921 |
248 |
1777 |
|
|
16 |
Bg |
1039 |
951 |
0.915 |
248 |
1778 |
|
|
17 |
Bg |
366 |
387 |
1.057 |
248 |
1779 |
|
|
18 |
Bu |
3094 |
2965 |
0.958 |
248 |
1780 |
|
|
19 |
Bu |
2402 |
2255 |
0.939 |
248 |
1781 |
|
|
20 |
Bu |
1475 |
1425 |
0.966 |
248 |
1782 |
|
|
21 |
Bu |
1308 |
1270 |
0.971 |
248 |
1783 |
|
|
22 |
Bu |
942 |
917 |
0.973 |
248 |
1784 |
|
|
23 |
Bu |
540 |
526 |
0.974 |
248 |
1785 |
|
|
24 |
Bu |
132 |
|
|
248 |
1786 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3226 |
3063 |
0.950 |
249 |
1787 |
|
|
2 |
A1 |
3200 |
3043 |
0.951 |
249 |
1788 |
|
|
3 |
A1 |
1642 |
1572 |
0.957 |
249 |
1789 |
|
|
4 |
A1 |
1502 |
1414 |
0.942 |
249 |
1790 |
|
|
5 |
A1 |
1190 |
1283 |
1.078 |
249 |
1791 |
|
|
6 |
A1 |
1182 |
1160 |
0.981 |
249 |
1792 |
|
|
7 |
A1 |
1108 |
1063 |
0.959 |
249 |
1793 |
|
|
8 |
A1 |
1030 |
964 |
0.936 |
249 |
1794 |
|
|
9 |
A1 |
686 |
619 |
0.903 |
249 |
1795 |
|
|
10 |
A2 |
1040 |
936 |
0.900 |
249 |
1796 |
|
|
11 |
A2 |
950 |
863 |
0.908 |
249 |
1797 |
|
|
12 |
A2 |
786 |
751 |
0.956 |
249 |
1798 |
|
|
13 |
A2 |
379 |
421 |
1.110 |
249 |
1799 |
|
|
14 |
B1 |
996 |
|
|
249 |
1800 |
|
|
15 |
B1 |
772 |
760 |
0.984 |
249 |
1801 |
|
|
16 |
B1 |
377 |
370 |
0.981 |
249 |
1802 |
|
|
17 |
B2 |
3212 |
3075 |
0.957 |
249 |
1803 |
|
|
18 |
B2 |
3195 |
3043 |
0.952 |
249 |
1804 |
|
|
19 |
B2 |
1642 |
1565 |
0.953 |
249 |
1805 |
|
|
20 |
B2 |
1455 |
1444 |
0.992 |
249 |
1806 |
|
|
21 |
B2 |
1330 |
1239 |
0.932 |
249 |
1807 |
|
|
22 |
B2 |
1098 |
1052 |
0.958 |
249 |
1808 |
|
|
23 |
B2 |
1067 |
1009 |
0.946 |
249 |
1809 |
|
|
24 |
B2 |
638 |
664 |
1.040 |
249 |
1810 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3236 |
3082 |
0.953 |
250 |
1811 |
|
|
2 |
A1 |
3196 |
3053 |
0.955 |
250 |
1812 |
|
|
3 |
A1 |
3186 |
3049 |
0.957 |
250 |
1813 |
|
|
4 |
A1 |
1650 |
1572 |
0.953 |
250 |
1814 |
|
|
5 |
A1 |
1462 |
1465 |
1.002 |
250 |
1815 |
|
|
6 |
A1 |
1180 |
1155 |
0.979 |
250 |
1816 |
|
|
7 |
A1 |
1095 |
1065 |
0.972 |
250 |
1817 |
|
|
8 |
A1 |
1023 |
969 |
0.947 |
250 |
1818 |
|
|
9 |
A1 |
701 |
679 |
0.969 |
250 |
1819 |
|
|
10 |
A2 |
1011 |
960 |
0.950 |
250 |
1820 |
|
|
11 |
A2 |
410 |
398 |
0.972 |
250 |
1821 |
|
|
12 |
B1 |
1040 |
1033 |
0.993 |
250 |
1822 |
|
|
13 |
B1 |
992 |
980 |
0.988 |
250 |
1823 |
|
|
14 |
B1 |
827 |
804 |
0.972 |
250 |
1824 |
|
|
15 |
B1 |
737 |
719 |
0.976 |
250 |
1825 |
|
|
16 |
B1 |
352 |
347 |
0.986 |
250 |
1826 |
|
|
17 |
B2 |
3189 |
3047 |
0.955 |
250 |
1827 |
|
|
18 |
B2 |
1646 |
1569 |
0.953 |
250 |
1828 |
|
|
19 |
B2 |
1508 |
1411 |
0.935 |
250 |
1829 |
|
|
20 |
B2 |
1401 |
1356 |
0.968 |
250 |
1830 |
|
|
21 |
B2 |
1269 |
1224 |
0.964 |
250 |
1831 |
|
|
22 |
B2 |
1216 |
1158 |
0.953 |
250 |
1832 |
|
|
23 |
B2 |
1100 |
1071 |
0.974 |
250 |
1833 |
|
|
24 |
B2 |
636 |
621 |
0.977 |
250 |
1834 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3206 |
3055 |
0.953 |
251 |
1835 |
|
|
2 |
Ag |
1653 |
1580 |
0.956 |
251 |
1836 |
|
|
3 |
Ag |
1267 |
1233 |
0.973 |
251 |
1837 |
|
|
4 |
Ag |
1060 |
1016 |
0.959 |
251 |
1838 |
|
|
5 |
Ag |
615 |
602 |
0.979 |
251 |
1839 |
|
|
6 |
Au |
1024 |
960 |
0.937 |
251 |
1840 |
|
|
7 |
Au |
358 |
350 |
0.977 |
251 |
1841 |
|
|
8 |
B1g |
957 |
927 |
0.968 |
251 |
1842 |
|
|
9 |
B1u |
3186 |
3012 |
0.946 |
251 |
1843 |
|
|
10 |
B1u |
1536 |
1483 |
0.965 |
251 |
1844 |
|
|
11 |
B1u |
1178 |
1130 |
0.959 |
251 |
1845 |
|
|
12 |
B1u |
1044 |
1018 |
0.975 |
251 |
1846 |
|
|
13 |
B2g |
1012 |
983 |
0.971 |
251 |
1847 |
|
|
14 |
B2g |
791 |
756 |
0.956 |
251 |
1848 |
|
|
15 |
B2u |
3200 |
3069 |
0.959 |
251 |
1849 |
|
|
16 |
B2u |
1459 |
1411 |
0.967 |
251 |
1850 |
|
|
17 |
B2u |
1215 |
1149 |
0.946 |
251 |
1851 |
|
|
18 |
B2u |
1104 |
1063 |
0.962 |
251 |
1852 |
|
|
19 |
B3g |
3184 |
3040 |
0.955 |
251 |
1853 |
|
|
20 |
B3g |
1622 |
1525 |
0.940 |
251 |
1854 |
|
|
21 |
B3g |
1385 |
1346 |
0.972 |
251 |
1855 |
|
|
22 |
B3g |
723 |
704 |
0.973 |
251 |
1856 |
|
|
23 |
B3u |
816 |
785 |
0.963 |
251 |
1857 |
|
|
24 |
B3u |
440 |
418 |
0.950 |
251 |
1858 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3911 |
3675 |
0.940 |
252 |
1859 |
|
|
2 |
A |
3238 |
3102 |
0.958 |
252 |
1860 |
|
|
3 |
A |
3176 |
3022 |
0.952 |
252 |
1861 |
|
|
4 |
A |
3149 |
2995 |
0.951 |
252 |
1862 |
|
|
5 |
A |
3041 |
2934 |
0.965 |
252 |
1863 |
|
|
6 |
A |
2998 |
2866 |
0.956 |
252 |
1864 |
|
|
7 |
A |
1741 |
1654 |
0.950 |
252 |
1865 |
|
|
8 |
A |
1529 |
1453 |
0.950 |
252 |
1866 |
|
|
9 |
A |
1483 |
1414 |
0.954 |
252 |
1867 |
|
|
10 |
A |
1431 |
1384 |
0.967 |
252 |
1868 |
|
|
11 |
A |
1326 |
1320 |
0.995 |
252 |
1869 |
|
|
12 |
A |
1297 |
1293 |
0.997 |
252 |
1870 |
|
|
13 |
A |
1250 |
1191 |
0.953 |
252 |
1871 |
|
|
14 |
A |
1173 |
1132 |
0.964 |
252 |
1872 |
|
|
15 |
A |
1092 |
1110 |
1.017 |
252 |
1873 |
|
|
16 |
A |
1041 |
1038 |
0.997 |
252 |
1874 |
|
|
17 |
A |
988 |
995 |
1.007 |
252 |
1875 |
|
|
18 |
A |
978 |
919 |
0.940 |
252 |
1876 |
|
|
19 |
A |
926 |
885 |
0.956 |
252 |
1877 |
|
|
20 |
A |
666 |
606 |
0.909 |
252 |
1878 |
|
|
22 |
A |
337 |
377 |
1.118 |
252 |
1879 |
|
|
23 |
A |
239 |
277 |
1.159 |
252 |
1880 |
|
|
24 |
A |
120 |
188 |
1.573 |
252 |
1881 |
CH3CH2CHO |
Propanal |
1 |
A' |
3142 |
2981 |
0.949 |
253 |
1882 |
|
|
2 |
A' |
3067 |
2904 |
0.947 |
253 |
1883 |
|
|
3 |
A' |
3036 |
2895 |
0.954 |
253 |
1884 |
|
|
4 |
A' |
2898 |
2809 |
0.969 |
253 |
1885 |
|
|
5 |
A' |
1846 |
1743 |
0.944 |
253 |
1886 |
|
|
6 |
A' |
1497 |
1460 |
0.975 |
253 |
1887 |
|
|
7 |
A' |
1448 |
1416 |
0.978 |
253 |
1888 |
|
|
8 |
A' |
1425 |
1390 |
0.976 |
253 |
1889 |
|
|
9 |
A' |
1411 |
1376 |
0.975 |
253 |
1890 |
|
|
10 |
A' |
1378 |
1335 |
0.969 |
253 |
1891 |
|
|
11 |
A' |
1121 |
1093 |
0.975 |
253 |
1892 |
|
|
12 |
A' |
1012 |
993 |
0.981 |
253 |
1893 |
|
|
13 |
A' |
862 |
848 |
0.984 |
253 |
1894 |
|
|
14 |
A' |
676 |
668 |
0.989 |
253 |
1895 |
|
|
15 |
A' |
260 |
271 |
1.043 |
253 |
1896 |
|
|
16 |
A" |
3143 |
2992 |
0.952 |
253 |
1897 |
|
|
17 |
A" |
3065 |
2942 |
0.960 |
253 |
1898 |
|
|
18 |
A" |
1505 |
1451 |
0.964 |
253 |
1899 |
|
|
19 |
A" |
1290 |
1250 |
0.969 |
253 |
1900 |
|
|
20 |
A" |
1149 |
1118 |
0.973 |
253 |
1901 |
|
|
21 |
A" |
907 |
892 |
0.983 |
253 |
1902 |
|
|
22 |
A" |
655 |
660 |
1.008 |
253 |
1903 |
|
|
23 |
A" |
225 |
220 |
0.977 |
253 |
1904 |
|
|
24 |
A" |
111 |
135 |
1.221 |
253 |
1905 |
C3H6O |
Oxetane |
1 |
A1 |
3101 |
2959 |
0.954 |
254 |
1906 |
|
|
2 |
A1 |
3048 |
2930 |
0.961 |
254 |
1907 |
|
|
3 |
A1 |
1539 |
1473 |
0.957 |
254 |
1908 |
|
|
4 |
A1 |
1488 |
1461 |
0.982 |
254 |
1909 |
|
|
5 |
A1 |
1386 |
1342 |
0.968 |
254 |
1910 |
|
|
6 |
A1 |
1071 |
1134 |
1.059 |
254 |
1911 |
|
|
7 |
A1 |
952 |
1018 |
1.069 |
254 |
1912 |
|
|
8 |
A1 |
817 |
908 |
1.111 |
254 |
1913 |
|
|
9 |
A2 |
3086 |
3000 |
0.972 |
254 |
1914 |
|
|
10 |
A2 |
1243 |
1283 |
1.032 |
254 |
1915 |
|
|
11 |
A2 |
1167 |
1185 |
1.015 |
254 |
1916 |
|
|
12 |
A2 |
841 |
986 |
1.173 |
254 |
1917 |
|
|
13 |
B1 |
3159 |
3007 |
0.952 |
254 |
1918 |
|
|
14 |
B1 |
3085 |
2940 |
0.953 |
254 |
1919 |
|
|
15 |
B1 |
1206 |
1225 |
1.016 |
254 |
1920 |
|
|
16 |
B1 |
1148 |
1142 |
0.995 |
254 |
1921 |
|
|
17 |
B1 |
763 |
836 |
1.095 |
254 |
1922 |
|
|
18 |
B1 |
95i |
90 |
-0.947 |
254 |
1923 |
|
|
19 |
B2 |
3039 |
2966 |
0.976 |
254 |
1924 |
|
|
20 |
B2 |
1511 |
1508 |
0.998 |
254 |
1925 |
|
|
21 |
B2 |
1324 |
1458 |
1.101 |
254 |
1926 |
|
|
22 |
B2 |
1275 |
1363 |
1.069 |
254 |
1927 |
|
|
23 |
B2 |
1075 |
1228 |
1.142 |
254 |
1928 |
|
|
24 |
B2 |
959 |
936 |
0.976 |
254 |
1929 |
C3H6S |
Thietane |
1 |
A' |
3159 |
2994 |
0.948 |
255 |
1930 |
|
|
2 |
A' |
3128 |
2972 |
0.950 |
255 |
1931 |
|
|
3 |
A' |
3094 |
2946 |
0.952 |
255 |
1932 |
|
|
4 |
A' |
3081 |
2903 |
0.942 |
255 |
1933 |
|
|
5 |
A' |
1520 |
1470 |
0.967 |
255 |
1934 |
|
|
6 |
A' |
1490 |
1452 |
0.975 |
255 |
1935 |
|
|
7 |
A' |
1270 |
1224 |
0.964 |
255 |
1936 |
|
|
8 |
A' |
1212 |
1183 |
0.976 |
255 |
1937 |
|
|
9 |
A' |
992 |
975 |
0.983 |
255 |
1938 |
|
|
10 |
A' |
957 |
933 |
0.975 |
255 |
1939 |
|
|
11 |
A' |
858 |
845 |
0.985 |
255 |
1940 |
|
|
12 |
A' |
726 |
700 |
0.964 |
255 |
1941 |
|
|
13 |
A' |
541 |
529 |
0.978 |
255 |
1942 |
|
|
14 |
A' |
122 |
|
|
255 |
1943 |
|
|
15 |
A" |
3153 |
2994 |
0.949 |
255 |
1944 |
|
|
16 |
A" |
3093 |
2950 |
0.954 |
255 |
1945 |
|
|
17 |
A" |
1495 |
1454 |
0.972 |
255 |
1946 |
|
|
18 |
A" |
1324 |
1281 |
0.967 |
255 |
1947 |
|
|
19 |
A" |
1274 |
1229 |
0.965 |
255 |
1948 |
|
|
20 |
A" |
1208 |
1165 |
0.965 |
255 |
1949 |
|
|
21 |
A" |
1049 |
1011 |
0.964 |
255 |
1950 |
|
|
22 |
A" |
1005 |
986 |
0.981 |
255 |
1951 |
|
|
23 |
A" |
838 |
823 |
0.982 |
255 |
1952 |
|
|
24 |
A" |
708 |
677 |
0.957 |
255 |
1953 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3167 |
2990 |
0.944 |
256 |
1954 |
|
|
2 |
A |
3152 |
2983 |
0.946 |
256 |
1955 |
|
|
3 |
A |
3065 |
2913 |
0.950 |
256 |
1956 |
|
|
4 |
A |
1487 |
1426 |
0.959 |
256 |
1957 |
|
|
5 |
A |
1470 |
1419 |
0.965 |
256 |
1958 |
|
|
6 |
A |
1360 |
1311 |
0.964 |
256 |
1959 |
|
|
7 |
A |
988 |
955 |
0.966 |
256 |
1960 |
|
|
8 |
A |
975 |
949 |
0.974 |
256 |
1961 |
|
|
9 |
A |
710 |
694 |
0.977 |
256 |
1962 |
|
|
10 |
A |
520 |
509 |
0.979 |
256 |
1963 |
|
|
11 |
A |
237 |
240 |
1.011 |
256 |
1964 |
|
|
12 |
A |
158 |
134 |
0.847 |
256 |
1965 |
|
|
13 |
A |
106 |
117 |
1.099 |
256 |
1966 |
|
|
14 |
B |
3167 |
2990 |
0.944 |
256 |
1967 |
|
|
15 |
B |
3153 |
2983 |
0.946 |
256 |
1968 |
|
|
16 |
B |
3063 |
2915 |
0.952 |
256 |
1969 |
|
|
17 |
B |
1492 |
1430 |
0.958 |
256 |
1970 |
|
|
18 |
B |
1464 |
1415 |
0.966 |
256 |
1971 |
|
|
19 |
B |
1353 |
1303 |
0.963 |
256 |
1972 |
|
|
20 |
B |
984 |
955 |
0.971 |
256 |
1973 |
|
|
21 |
B |
977 |
949 |
0.971 |
256 |
1974 |
|
|
22 |
B |
707 |
691 |
0.977 |
256 |
1975 |
|
|
23 |
B |
273 |
274 |
1.005 |
256 |
1976 |
|
|
24 |
B |
171 |
134 |
0.786 |
256 |
1977 |
C3H8 |
Propane |
1 |
A1 |
3119 |
2977 |
0.955 |
257 |
1978 |
|
|
2 |
A1 |
3044 |
2962 |
0.973 |
257 |
1979 |
|
|
3 |
A1 |
3040 |
2887 |
0.950 |
257 |
1980 |
|
|
4 |
A1 |
1518 |
1476 |
0.973 |
257 |
1981 |
|
|
5 |
A1 |
1499 |
1462 |
0.975 |
257 |
1982 |
|
|
6 |
A1 |
1428 |
1392 |
0.975 |
257 |
1983 |
|
|
7 |
A1 |
1186 |
1158 |
0.976 |
257 |
1984 |
|
|
8 |
A1 |
887 |
869 |
0.980 |
257 |
1985 |
|
|
9 |
A1 |
374 |
369 |
0.988 |
257 |
1986 |
|
|
10 |
A2 |
3104 |
2967 |
0.956 |
257 |
1987 |
|
|
11 |
A2 |
1496 |
1451 |
0.970 |
257 |
1988 |
|
|
12 |
A2 |
1325 |
1278 |
0.965 |
257 |
1989 |
|
|
13 |
A2 |
918 |
940 |
1.024 |
257 |
1990 |
|
|
14 |
A2 |
221 |
216 |
0.977 |
257 |
1991 |
|
|
15 |
B1 |
3114 |
2973 |
0.955 |
257 |
1992 |
|
|
16 |
B1 |
3071 |
2968 |
0.967 |
257 |
1993 |
|
|
17 |
B1 |
1514 |
1472 |
0.972 |
257 |
1994 |
|
|
18 |
B1 |
1221 |
1192 |
0.976 |
257 |
1995 |
|
|
19 |
B1 |
755 |
748 |
0.990 |
257 |
1996 |
|
|
20 |
B1 |
276 |
268 |
0.971 |
257 |
1997 |
|
|
21 |
B2 |
3116 |
2968 |
0.952 |
257 |
1998 |
|
|
22 |
B2 |
3038 |
2887 |
0.950 |
257 |
1999 |
|
|
23 |
B2 |
1502 |
1464 |
0.975 |
257 |
2000 |
|
|
24 |
B2 |
1415 |
1378 |
0.974 |
257 |
2001 |
|
|
25 |
B2 |
1375 |
1338 |
0.973 |
257 |
2002 |
|
|
26 |
B2 |
1074 |
1054 |
0.981 |
257 |
2003 |
|
|
27 |
B2 |
940 |
922 |
0.981 |
257 |
2004 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3250 |
3091 |
0.951 |
258 |
2005 |
|
|
2 |
A1 |
3222 |
3075 |
0.954 |
258 |
2006 |
|
|
3 |
A1 |
3047 |
2886 |
0.947 |
258 |
2007 |
|
|
4 |
A1 |
1583 |
1500 |
0.948 |
258 |
2008 |
|
|
5 |
A1 |
1414 |
1378 |
0.974 |
258 |
2009 |
|
|
6 |
A1 |
1400 |
1365 |
0.975 |
258 |
2010 |
|
|
7 |
A1 |
1126 |
1106 |
0.982 |
258 |
2011 |
|
|
8 |
A1 |
1020 |
994 |
0.975 |
258 |
2012 |
|
|
9 |
A1 |
933 |
915 |
0.981 |
258 |
2013 |
|
|
10 |
A1 |
819 |
802 |
0.980 |
258 |
2014 |
|
|
11 |
A2 |
1144 |
1100 |
0.962 |
258 |
2015 |
|
|
12 |
A2 |
981 |
941 |
0.959 |
258 |
2016 |
|
|
13 |
A2 |
717 |
700 |
0.976 |
258 |
2017 |
|
|
14 |
A2 |
533 |
516 |
0.968 |
258 |
2018 |
|
|
15 |
B1 |
3078 |
2900 |
0.942 |
258 |
2019 |
|
|
16 |
B1 |
979 |
925 |
0.944 |
258 |
2020 |
|
|
17 |
B1 |
922 |
891 |
0.966 |
258 |
2021 |
|
|
18 |
B1 |
679 |
664 |
0.978 |
258 |
2022 |
|
|
19 |
B1 |
333 |
350 |
1.052 |
258 |
2023 |
|
|
20 |
B2 |
3244 |
3105 |
0.957 |
258 |
2024 |
|
|
21 |
B2 |
3211 |
3043 |
0.948 |
258 |
2025 |
|
|
22 |
B2 |
1664 |
1580 |
0.950 |
258 |
2026 |
|
|
23 |
B2 |
1324 |
1292 |
0.976 |
258 |
2027 |
|
|
24 |
B2 |
1282 |
1239 |
0.967 |
258 |
2028 |
|
|
25 |
B2 |
1105 |
1090 |
0.986 |
258 |
2029 |
|
|
26 |
B2 |
982 |
959 |
0.977 |
258 |
2030 |
|
|
27 |
B2 |
819 |
805 |
0.983 |
258 |
2031 |
C3H7N |
Cyclopropylamine |
1 |
A' |
3543 |
3348 |
0.945 |
259 |
2032 |
|
|
2 |
A' |
3258 |
3100 |
0.952 |
259 |
2033 |
|
|
3 |
A' |
3165 |
3032 |
0.958 |
259 |
2034 |
|
|
4 |
A' |
3109 |
2975 |
0.957 |
259 |
2035 |
|
|
5 |
A' |
1659 |
1617 |
0.975 |
259 |
2036 |
|
|
6 |
A' |
1518 |
1456 |
0.959 |
259 |
2037 |
|
|
7 |
A' |
1426 |
1374 |
0.964 |
259 |
2038 |
|
|
8 |
A' |
1253 |
1214 |
0.969 |
259 |
2039 |
|
|
9 |
A' |
1189 |
1168 |
0.983 |
259 |
2040 |
|
|
10 |
A' |
1059 |
1150 |
1.086 |
259 |
2041 |
|
|
11 |
A' |
1017 |
1020 |
1.003 |
259 |
2042 |
|
|
12 |
A' |
848 |
989 |
1.166 |
259 |
2043 |
|
|
13 |
A' |
804 |
805 |
1.001 |
259 |
2044 |
|
|
14 |
A' |
785 |
762 |
0.971 |
259 |
2045 |
|
|
15 |
A' |
413 |
408 |
0.988 |
259 |
2046 |
|
|
16 |
A" |
3624 |
3412 |
0.942 |
259 |
2047 |
|
|
17 |
A" |
3245 |
3100 |
0.955 |
259 |
2048 |
|
|
18 |
A" |
3159 |
3023 |
0.957 |
259 |
2049 |
|
|
19 |
A" |
1467 |
1424 |
0.971 |
259 |
2050 |
|
|
20 |
A" |
1271 |
1104 |
0.869 |
259 |
2051 |
|
|
21 |
A" |
1209 |
1045 |
0.864 |
259 |
2052 |
|
|
22 |
A" |
1136 |
1026 |
0.903 |
259 |
2053 |
|
|
23 |
A" |
1080 |
940 |
0.870 |
259 |
2054 |
|
|
24 |
A" |
911 |
884 |
0.971 |
259 |
2055 |
|
|
25 |
A" |
849 |
830 |
0.977 |
259 |
2056 |
|
|
26 |
A" |
406 |
396 |
0.976 |
259 |
2057 |
|
|
27 |
A" |
252 |
254 |
1.008 |
259 |
2058 |
C5H5N |
Pyridine |
1 |
A1 |
3232 |
3094 |
0.957 |
260 |
2059 |
|
|
2 |
A1 |
3206 |
3073 |
0.958 |
260 |
2060 |
|
|
3 |
A1 |
3178 |
3030 |
0.953 |
260 |
2061 |
|
|
4 |
A1 |
1661 |
1584 |
0.954 |
260 |
2062 |
|
|
5 |
A1 |
1532 |
1483 |
0.969 |
260 |
2063 |
|
|
6 |
A1 |
1253 |
1218 |
0.972 |
260 |
2064 |
|
|
7 |
A1 |
1110 |
1072 |
0.966 |
260 |
2065 |
|
|
8 |
A1 |
1061 |
1032 |
0.972 |
260 |
2066 |
|
|
9 |
A1 |
1025 |
991 |
0.968 |
260 |
2067 |
|
|
10 |
A1 |
621 |
601 |
0.969 |
260 |
2068 |
|
|
11 |
A2 |
1030 |
980 |
0.952 |
260 |
2069 |
|
|
12 |
A2 |
903 |
880 |
0.974 |
260 |
2070 |
|
|
13 |
A2 |
387 |
373 |
0.963 |
260 |
2071 |
|
|
14 |
B1 |
1029 |
1007 |
0.979 |
260 |
2072 |
|
|
15 |
B1 |
977 |
937 |
0.959 |
260 |
2073 |
|
|
16 |
B1 |
773 |
744 |
0.963 |
260 |
2074 |
|
|
17 |
B1 |
719 |
700 |
0.974 |
260 |
2075 |
|
|
18 |
B1 |
422 |
403 |
0.956 |
260 |
2076 |
|
|
19 |
B2 |
3225 |
3087 |
0.957 |
260 |
2077 |
|
|
20 |
B2 |
3175 |
3042 |
0.958 |
260 |
2078 |
|
|
21 |
B2 |
1653 |
1581 |
0.956 |
260 |
2079 |
|
|
22 |
B2 |
1488 |
1442 |
0.969 |
260 |
2080 |
|
|
23 |
B2 |
1390 |
1362 |
0.980 |
260 |
2081 |
|
|
24 |
B2 |
1288 |
1227 |
0.953 |
260 |
2082 |
|
|
25 |
B2 |
1173 |
1143 |
0.975 |
260 |
2083 |
|
|
26 |
B2 |
1091 |
1079 |
0.989 |
260 |
2084 |
|
|
27 |
B2 |
672 |
652 |
0.970 |
260 |
2085 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3183 |
3058 |
0.961 |
261 |
2086 |
|
|
2 |
A' |
3152 |
2995 |
0.950 |
261 |
2087 |
|
|
3 |
A' |
3135 |
2963 |
0.945 |
261 |
2088 |
|
|
4 |
A' |
3051 |
2938 |
0.963 |
261 |
2089 |
|
|
5 |
A' |
2897 |
2805 |
0.968 |
261 |
2090 |
|
|
6 |
A' |
1816 |
1720 |
0.947 |
261 |
2091 |
|
|
7 |
A' |
1735 |
1649 |
0.950 |
261 |
2092 |
|
|
8 |
A' |
1494 |
1455 |
0.974 |
261 |
2093 |
|
|
9 |
A' |
1428 |
1391 |
0.974 |
261 |
2094 |
|
|
10 |
A' |
1422 |
1375 |
0.967 |
261 |
2095 |
|
|
11 |
A' |
1333 |
1304 |
0.978 |
261 |
2096 |
|
|
12 |
A' |
1283 |
1253 |
0.977 |
261 |
2097 |
|
|
13 |
A' |
1175 |
1147 |
0.976 |
261 |
2098 |
|
|
14 |
A' |
1104 |
1074 |
0.973 |
261 |
2099 |
|
|
15 |
A' |
950 |
973 |
1.024 |
261 |
2100 |
|
|
16 |
A' |
551 |
539 |
0.979 |
261 |
2101 |
|
|
17 |
A' |
468 |
464 |
0.992 |
261 |
2102 |
|
|
18 |
A' |
214 |
230 |
1.076 |
261 |
2103 |
|
|
19 |
A" |
3111 |
2980 |
0.958 |
261 |
2104 |
|
|
20 |
A" |
1483 |
1455 |
0.981 |
261 |
2105 |
|
|
21 |
A" |
1082 |
1042 |
0.963 |
261 |
2106 |
|
|
22 |
A" |
1032 |
973 |
0.943 |
261 |
2107 |
|
|
23 |
A" |
1005 |
928 |
0.924 |
261 |
2108 |
|
|
24 |
A" |
794 |
780 |
0.983 |
261 |
2109 |
|
|
25 |
A" |
291 |
295 |
1.012 |
261 |
2110 |
|
|
26 |
A" |
199 |
173 |
0.868 |
261 |
2111 |
|
|
27 |
A" |
126 |
122 |
0.965 |
261 |
2112 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3194 |
3035 |
0.950 |
262 |
2113 |
|
|
2 |
A' |
3179 |
3031 |
0.953 |
262 |
2114 |
|
|
3 |
A' |
3081 |
2966 |
0.963 |
262 |
2115 |
|
|
4 |
A' |
3068 |
2964 |
0.966 |
262 |
2116 |
|
|
5 |
A' |
1836 |
1771 |
0.965 |
262 |
2117 |
|
|
6 |
A' |
1497 |
1460 |
0.975 |
262 |
2118 |
|
|
7 |
A' |
1482 |
1440 |
0.972 |
262 |
2119 |
|
|
8 |
A' |
1468 |
1430 |
0.974 |
262 |
2120 |
|
|
9 |
A' |
1401 |
1375 |
0.982 |
262 |
2121 |
|
|
10 |
A' |
1300 |
1248 |
0.960 |
262 |
2122 |
|
|
11 |
A' |
1223 |
1159 |
0.947 |
262 |
2123 |
|
|
12 |
A' |
1102 |
1060 |
0.962 |
262 |
2124 |
|
|
13 |
A' |
998 |
980 |
0.982 |
262 |
2125 |
|
|
14 |
A' |
877 |
844 |
0.962 |
262 |
2126 |
|
|
15 |
A' |
654 |
639 |
0.978 |
262 |
2127 |
|
|
16 |
A' |
430 |
429 |
0.997 |
262 |
2128 |
|
|
17 |
A' |
290 |
303 |
1.045 |
262 |
2129 |
|
|
18 |
A" |
3153 |
3005 |
0.953 |
262 |
2130 |
|
|
19 |
A" |
3144 |
2994 |
0.952 |
262 |
2131 |
|
|
20 |
A" |
1492 |
1460 |
0.978 |
262 |
2132 |
|
|
21 |
A" |
1476 |
1430 |
0.969 |
262 |
2133 |
|
|
22 |
A" |
1175 |
1187 |
1.011 |
262 |
2134 |
|
|
23 |
A" |
1065 |
1036 |
0.973 |
262 |
2135 |
|
|
24 |
A" |
608 |
607 |
0.998 |
262 |
2136 |
|
|
25 |
A" |
176 |
187 |
1.061 |
262 |
2137 |
|
|
26 |
A" |
101 |
136 |
1.344 |
262 |
2138 |
|
|
27 |
A" |
142i |
110 |
-0.775 |
262 |
2139 |
C2H6O2S |
Dimethyl sulfone |
1 |
A1 |
3182 |
3018 |
0.948 |
263 |
2140 |
|
|
2 |
A1 |
3077 |
2936 |
0.954 |
263 |
2141 |
|
|
3 |
A1 |
1455 |
1451 |
0.997 |
263 |
2142 |
|
|
4 |
A1 |
1351 |
1337 |
0.989 |
263 |
2143 |
|
|
5 |
A1 |
1182 |
1121 |
0.948 |
263 |
2144 |
|
|
6 |
A1 |
1011 |
1013 |
1.002 |
263 |
2145 |
|
|
7 |
A1 |
687 |
703 |
1.023 |
263 |
2146 |
|
|
8 |
A1 |
489 |
496 |
1.014 |
263 |
2147 |
|
|
9 |
A1 |
271 |
294 |
1.087 |
263 |
2148 |
|
|
10 |
A2 |
3185 |
3024 |
0.949 |
263 |
2149 |
|
|
11 |
A2 |
1456 |
1405 |
0.965 |
263 |
2150 |
|
|
12 |
A2 |
936 |
937 |
1.002 |
263 |
2151 |
|
|
13 |
A2 |
300 |
326 |
1.086 |
263 |
2152 |
|
|
14 |
A2 |
179 |
|
|
263 |
2153 |
|
|
15 |
B1 |
3189 |
3025 |
0.949 |
263 |
2154 |
|
|
16 |
B1 |
1474 |
1428 |
0.969 |
263 |
2155 |
|
|
17 |
B1 |
1370 |
1269 |
0.926 |
263 |
2156 |
|
|
18 |
B1 |
993 |
986 |
0.993 |
263 |
2157 |
|
|
19 |
B1 |
361 |
396 |
1.097 |
263 |
2158 |
|
|
20 |
B1 |
216 |
262 |
1.215 |
263 |
2159 |
|
|
21 |
B2 |
3181 |
3017 |
0.948 |
263 |
2160 |
|
|
22 |
B2 |
3075 |
2936 |
0.955 |
263 |
2161 |
|
|
23 |
B2 |
1445 |
1438 |
0.995 |
263 |
2162 |
|
|
24 |
B2 |
1337 |
1322 |
0.989 |
263 |
2163 |
|
|
25 |
B2 |
945 |
958 |
1.013 |
263 |
2164 |
|
|
26 |
B2 |
747 |
771 |
1.032 |
263 |
2165 |
|
|
27 |
B2 |
457 |
465 |
1.017 |
263 |
2166 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3149 |
3005 |
0.954 |
264 |
2167 |
|
|
2 |
A' |
3129 |
2955 |
0.944 |
264 |
2168 |
|
|
3 |
A' |
3106 |
2927 |
0.942 |
264 |
2169 |
|
|
4 |
A' |
3052 |
2878 |
0.943 |
264 |
2170 |
|
|
5 |
A' |
1514 |
1472 |
0.972 |
264 |
2171 |
|
|
6 |
A' |
1499 |
1454 |
0.970 |
264 |
2172 |
|
|
7 |
A' |
1430 |
1390 |
0.972 |
264 |
2173 |
|
|
8 |
A' |
1297 |
1270 |
0.979 |
264 |
2174 |
|
|
9 |
A' |
1196 |
1163 |
0.973 |
264 |
2175 |
|
|
10 |
A' |
1091 |
1065 |
0.976 |
264 |
2176 |
|
|
11 |
A' |
907 |
888 |
0.979 |
264 |
2177 |
|
|
12 |
A' |
641 |
633 |
0.988 |
264 |
2178 |
|
|
13 |
A' |
429 |
418 |
0.975 |
264 |
2179 |
|
|
14 |
A' |
343 |
336 |
0.979 |
264 |
2180 |
|
|
15 |
A' |
272 |
253 |
0.932 |
264 |
2181 |
|
|
16 |
A" |
3144 |
2997 |
0.953 |
264 |
2182 |
|
|
17 |
A" |
3121 |
2985 |
0.956 |
264 |
2183 |
|
|
18 |
A" |
3048 |
2947 |
0.967 |
264 |
2184 |
|
|
19 |
A" |
1492 |
1472 |
0.987 |
264 |
2185 |
|
|
20 |
A" |
1486 |
1454 |
0.978 |
264 |
2186 |
|
|
21 |
A" |
1417 |
1377 |
0.972 |
264 |
2187 |
|
|
22 |
A" |
1369 |
1334 |
0.974 |
264 |
2188 |
|
|
23 |
A" |
1159 |
1123 |
0.969 |
264 |
2189 |
|
|
24 |
A" |
962 |
972 |
1.010 |
264 |
2190 |
|
|
25 |
A" |
951 |
936 |
0.985 |
264 |
2191 |
|
|
26 |
A" |
326 |
317 |
0.971 |
264 |
2192 |
|
|
27 |
A" |
240 |
276 |
1.149 |
264 |
2193 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3190 |
3022 |
0.947 |
265 |
2194 |
|
|
2 |
A |
3157 |
3004 |
0.951 |
265 |
2195 |
|
|
3 |
A |
3147 |
2991 |
0.950 |
265 |
2196 |
|
|
4 |
A |
3129 |
2970 |
0.949 |
265 |
2197 |
|
|
5 |
A |
3116 |
2949 |
0.946 |
265 |
2198 |
|
|
6 |
A |
3067 |
2908 |
0.948 |
265 |
2199 |
|
|
7 |
A |
1506 |
1462 |
0.971 |
265 |
2200 |
|
|
8 |
A |
1498 |
1459 |
0.974 |
265 |
2201 |
|
|
9 |
A |
1479 |
1446 |
0.978 |
265 |
2202 |
|
|
10 |
A |
1426 |
1391 |
0.976 |
265 |
2203 |
|
|
11 |
A |
1384 |
1347 |
0.973 |
265 |
2204 |
|
|
12 |
A |
1325 |
1286 |
0.971 |
265 |
2205 |
|
|
13 |
A |
1275 |
1238 |
0.971 |
265 |
2206 |
|
|
14 |
A |
1230 |
1181 |
0.961 |
265 |
2207 |
|
|
15 |
A |
1157 |
1120 |
0.968 |
265 |
2208 |
|
|
16 |
A |
1095 |
1076 |
0.983 |
265 |
2209 |
|
|
17 |
A |
1043 |
1023 |
0.981 |
265 |
2210 |
|
|
18 |
A |
924 |
890 |
0.964 |
265 |
2211 |
|
|
19 |
A |
874 |
850 |
0.973 |
265 |
2212 |
|
|
20 |
A |
766 |
750 |
0.980 |
265 |
2213 |
|
|
21 |
A |
696 |
685 |
0.984 |
265 |
2214 |
|
|
22 |
A |
411 |
417 |
1.014 |
265 |
2215 |
|
|
23 |
A |
358 |
358 |
1.000 |
265 |
2216 |
|
|
24 |
A |
286 |
285 |
0.998 |
265 |
2217 |
|
|
25 |
A |
259 |
250 |
0.966 |
265 |
2218 |
|
|
26 |
A |
210 |
203 |
0.968 |
265 |
2219 |
|
|
27 |
A |
109 |
108 |
0.994 |
265 |
2220 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3152 |
2989 |
0.948 |
266 |
2221 |
|
|
2 |
A1 |
3134 |
2941 |
0.938 |
266 |
2222 |
|
|
3 |
A1 |
3038 |
2911 |
0.958 |
266 |
2223 |
|
|
4 |
A1 |
1747 |
1661 |
0.951 |
266 |
2224 |
|
|
5 |
A1 |
1501 |
1470 |
0.979 |
266 |
2225 |
|
|
6 |
A1 |
1447 |
1416 |
0.978 |
266 |
2226 |
|
|
7 |
A1 |
1416 |
1366 |
0.965 |
266 |
2227 |
|
|
8 |
A1 |
1086 |
1064 |
0.980 |
266 |
2228 |
|
|
9 |
A1 |
828 |
801 |
0.968 |
266 |
2229 |
|
|
10 |
A1 |
387 |
383 |
0.990 |
266 |
2230 |
|
|
11 |
A2 |
3090 |
2970 |
0.961 |
266 |
2231 |
|
|
12 |
A2 |
1478 |
1459 |
0.987 |
266 |
2232 |
|
|
13 |
A2 |
1027 |
1076 |
1.048 |
266 |
2233 |
|
|
14 |
A2 |
713 |
|
|
266 |
2234 |
|
|
15 |
A2 |
131 |
193 |
1.471 |
266 |
2235 |
|
|
16 |
B1 |
3092 |
2945 |
0.952 |
266 |
2236 |
|
|
17 |
B1 |
1498 |
1444 |
0.964 |
266 |
2237 |
|
|
18 |
B1 |
1116 |
1079 |
0.967 |
266 |
2238 |
|
|
19 |
B1 |
937 |
890 |
0.950 |
266 |
2239 |
|
|
20 |
B1 |
455 |
429 |
0.944 |
266 |
2240 |
|
|
21 |
B1 |
189 |
196 |
1.035 |
266 |
2241 |
|
|
22 |
B2 |
3236 |
3086 |
0.954 |
266 |
2242 |
|
|
23 |
B2 |
3132 |
2980 |
0.952 |
266 |
2243 |
|
|
24 |
B2 |
3034 |
2893 |
0.953 |
266 |
2244 |
|
|
25 |
B2 |
1477 |
1458 |
0.987 |
266 |
2245 |
|
|
26 |
B2 |
1419 |
1381 |
0.973 |
266 |
2246 |
|
|
27 |
B2 |
1307 |
1282 |
0.981 |
266 |
2247 |
|
|
28 |
B2 |
994 |
1043 |
1.049 |
266 |
2248 |
|
|
29 |
B2 |
965 |
974 |
1.009 |
266 |
2249 |
|
|
30 |
B2 |
445 |
430 |
0.965 |
266 |
2250 |
CH3CHCHCH3 |
2-Butene, (Z)- |
1 |
A1 |
3181 |
3033 |
0.954 |
267 |
2251 |
|
|
2 |
A1 |
3150 |
2965 |
0.941 |
267 |
2252 |
|
|
3 |
A1 |
3047 |
2878 |
0.945 |
267 |
2253 |
|
|
4 |
A1 |
1765 |
1669 |
0.946 |
267 |
2254 |
|
|
5 |
A1 |
1503 |
1448 |
0.964 |
267 |
2255 |
|
|
6 |
A1 |
1425 |
1397 |
0.980 |
267 |
2256 |
|
|
7 |
A1 |
1313 |
1261 |
0.960 |
267 |
2257 |
|
|
8 |
A1 |
1045 |
986 |
0.944 |
267 |
2258 |
|
|
9 |
A1 |
882 |
880 |
0.997 |
267 |
2259 |
|
|
10 |
A1 |
309 |
290 |
0.937 |
267 |
2260 |
|
|
11 |
A2 |
3095 |
2988 |
0.965 |
267 |
2261 |
|
|
12 |
A2 |
1485 |
1464 |
0.986 |
267 |
2262 |
|
|
13 |
A2 |
1071 |
1037 |
0.968 |
267 |
2263 |
|
|
14 |
A2 |
1010 |
880 |
0.871 |
267 |
2264 |
|
|
15 |
A2 |
402 |
396 |
0.984 |
267 |
2265 |
|
|
17 |
B1 |
3096 |
2965 |
0.958 |
267 |
2266 |
|
|
18 |
B1 |
1490 |
1448 |
0.972 |
267 |
2267 |
|
|
19 |
B1 |
1065 |
986 |
0.926 |
267 |
2268 |
|
|
20 |
B1 |
690 |
673 |
0.975 |
267 |
2269 |
|
|
22 |
B2 |
3157 |
3033 |
0.961 |
267 |
2270 |
|
|
23 |
B2 |
3136 |
2965 |
0.945 |
267 |
2271 |
|
|
24 |
B2 |
3044 |
2900 |
0.953 |
267 |
2272 |
|
|
25 |
B2 |
1494 |
1448 |
0.969 |
267 |
2273 |
|
|
26 |
B2 |
1453 |
1420 |
0.977 |
267 |
2274 |
|
|
27 |
B2 |
1402 |
1397 |
0.996 |
267 |
2275 |
|
|
28 |
B2 |
1168 |
1135 |
0.972 |
267 |
2276 |
|
|
29 |
B2 |
992 |
986 |
0.994 |
267 |
2277 |
|
|
30 |
B2 |
580 |
583 |
1.005 |
267 |
2278 |
CH3CHCHCH3 |
2-Butene, (E)- |
1 |
Ag |
3145 |
3011 |
0.957 |
268 |
2279 |
|
|
2 |
Ag |
3123 |
2954 |
0.946 |
268 |
2280 |
|
|
3 |
Ag |
3037 |
2874 |
0.946 |
268 |
2281 |
|
|
4 |
Ag |
1770 |
1680 |
0.949 |
268 |
2282 |
|
|
5 |
Ag |
1492 |
1457 |
0.977 |
268 |
2283 |
|
|
6 |
Ag |
1420 |
1385 |
0.976 |
268 |
2284 |
|
|
7 |
Ag |
1336 |
1309 |
0.980 |
268 |
2285 |
|
|
8 |
Ag |
1176 |
1146 |
0.975 |
268 |
2286 |
|
|
9 |
Ag |
885 |
866 |
0.978 |
268 |
2287 |
|
|
10 |
Ag |
511 |
501 |
0.981 |
268 |
2288 |
|
|
11 |
Au |
3092 |
2960 |
0.957 |
268 |
2289 |
|
|
12 |
Au |
1479 |
1449 |
0.980 |
268 |
2290 |
|
|
13 |
Au |
1069 |
1057 |
0.989 |
268 |
2291 |
|
|
14 |
Au |
996 |
964 |
0.968 |
268 |
2292 |
|
|
15 |
Au |
236 |
224 |
0.950 |
268 |
2293 |
|
|
17 |
Bg |
3093 |
2954 |
0.955 |
268 |
2294 |
|
|
18 |
Bg |
1479 |
1457 |
0.985 |
268 |
2295 |
|
|
19 |
Bg |
1077 |
1039 |
0.965 |
268 |
2296 |
|
|
20 |
Bg |
759 |
750 |
0.988 |
268 |
2297 |
|
|
22 |
Bu |
3150 |
3021 |
0.959 |
268 |
2298 |
|
|
23 |
Bu |
3122 |
2960 |
0.948 |
268 |
2299 |
|
|
24 |
Bu |
3037 |
2899 |
0.955 |
268 |
2300 |
|
|
25 |
Bu |
1500 |
1449 |
0.966 |
268 |
2301 |
|
|
26 |
Bu |
1418 |
1393 |
0.982 |
268 |
2302 |
|
|
27 |
Bu |
1329 |
1311 |
0.987 |
268 |
2303 |
|
|
28 |
Bu |
1088 |
1072 |
0.985 |
268 |
2304 |
|
|
29 |
Bu |
993 |
987 |
0.994 |
268 |
2305 |
|
|
30 |
Bu |
290 |
261 |
0.901 |
268 |
2306 |
C4H8 |
cyclobutane |
1 |
A1 |
3112 |
2951 |
0.948 |
269 |
2307 |
|
|
2 |
A1 |
3080 |
2862 |
0.929 |
269 |
2308 |
|
|
3 |
A1 |
1519 |
1468 |
0.966 |
269 |
2309 |
|
|
4 |
A1 |
1176 |
1153 |
0.980 |
269 |
2310 |
|
|
5 |
A1 |
1034 |
1004 |
0.971 |
269 |
2311 |
|
|
6 |
A1 |
161 |
199 |
1.233 |
269 |
2312 |
|
|
7 |
A2 |
1270 |
1260 |
0.992 |
269 |
2313 |
|
|
8 |
A2 |
975 |
941 |
0.966 |
269 |
2314 |
|
|
9 |
B1 |
1259 |
1231 |
0.978 |
269 |
2315 |
|
|
10 |
B1 |
1193 |
1142 |
0.957 |
269 |
2316 |
|
|
11 |
B1 |
964 |
928 |
0.963 |
269 |
2317 |
|
|
12 |
B2 |
3144 |
2973 |
0.946 |
269 |
2318 |
|
|
13 |
B2 |
3071 |
2934 |
0.955 |
269 |
2319 |
|
|
14 |
B2 |
1482 |
1440 |
0.971 |
269 |
2320 |
|
|
15 |
B2 |
885 |
883 |
0.998 |
269 |
2321 |
|
|
16 |
B2 |
627 |
625 |
0.996 |
269 |
2322 |
|
|
17 |
E |
3126 |
2959 |
0.946 |
269 |
2323 |
|
|
18 |
E |
3073 |
2862 |
0.931 |
269 |
2324 |
|
|
19 |
E |
1478 |
1441 |
0.975 |
269 |
2325 |
|
|
20 |
E |
1297 |
1252 |
0.965 |
269 |
2326 |
|
|
21 |
E |
1260 |
1217 |
0.966 |
269 |
2327 |
|
|
22 |
E |
930 |
893 |
0.960 |
269 |
2328 |
|
|
23 |
E |
750 |
746 |
0.995 |
269 |
2329 |
C6H6 |
Fulvene |
1 |
A1 |
3252 |
3088 |
0.949 |
270 |
2330 |
|
|
2 |
A1 |
3227 |
3051 |
0.945 |
270 |
2331 |
|
|
3 |
A1 |
3158 |
3008 |
0.952 |
270 |
2332 |
|
|
4 |
A1 |
1743 |
1632 |
0.936 |
270 |
2333 |
|
|
5 |
A1 |
1566 |
1486 |
0.949 |
270 |
2334 |
|
|
6 |
A1 |
1464 |
1449 |
0.990 |
270 |
2335 |
|
|
7 |
A1 |
1374 |
1342 |
0.977 |
270 |
2336 |
|
|
8 |
A1 |
1095 |
1082 |
0.988 |
270 |
2337 |
|
|
9 |
A1 |
1005 |
986 |
0.981 |
270 |
2338 |
|
|
10 |
A1 |
914 |
894 |
0.978 |
270 |
2339 |
|
|
11 |
A1 |
684 |
641 |
0.938 |
270 |
2340 |
|
|
12 |
A2 |
974 |
|
|
270 |
2341 |
|
|
13 |
A2 |
794 |
|
|
270 |
2342 |
|
|
14 |
A2 |
696 |
666 |
0.956 |
270 |
2343 |
|
|
15 |
A2 |
502 |
494 |
0.984 |
270 |
2344 |
|
|
16 |
B1 |
994 |
926 |
0.932 |
270 |
2345 |
|
|
17 |
B1 |
961 |
907 |
0.943 |
270 |
2346 |
|
|
18 |
B1 |
810 |
769 |
0.950 |
270 |
2347 |
|
|
19 |
B1 |
640 |
613 |
0.958 |
270 |
2348 |
|
|
20 |
B1 |
206 |
|
|
270 |
2349 |
|
|
21 |
B2 |
3248 |
|
|
270 |
2350 |
|
|
22 |
B2 |
3247 |
3104 |
0.956 |
270 |
2351 |
|
|
23 |
B2 |
3217 |
3075 |
0.956 |
270 |
2352 |
|
|
24 |
B2 |
1650 |
1550 |
0.940 |
270 |
2353 |
|
|
25 |
B2 |
1352 |
1314 |
0.972 |
270 |
2354 |
|
|
26 |
B2 |
1259 |
1232 |
0.979 |
270 |
2355 |
|
|
27 |
B2 |
1100 |
1077 |
0.979 |
270 |
2356 |
|
|
28 |
B2 |
972 |
952 |
0.979 |
270 |
2357 |
|
|
29 |
B2 |
811 |
795 |
0.980 |
270 |
2358 |
|
|
30 |
B2 |
342 |
350 |
1.023 |
270 |
2359 |
CH3CH2CH2CN |
Butanenitrile |
1 |
A' |
3139 |
2977 |
0.948 |
271 |
2360 |
|
|
2 |
A' |
3072 |
2895 |
0.942 |
271 |
2361 |
|
|
3 |
A' |
3061 |
2888 |
0.943 |
271 |
2362 |
|
|
4 |
A' |
3052 |
2883 |
0.945 |
271 |
2363 |
|
|
5 |
A' |
2392 |
2263 |
0.946 |
271 |
2364 |
|
|
6 |
A' |
1512 |
1472 |
0.973 |
271 |
2365 |
|
|
7 |
A' |
1500 |
1457 |
0.972 |
271 |
2366 |
|
|
8 |
A' |
1472 |
1438 |
0.977 |
271 |
2367 |
|
|
9 |
A' |
1430 |
1393 |
0.974 |
271 |
2368 |
|
|
10 |
A' |
1399 |
1346 |
0.962 |
271 |
2369 |
|
|
11 |
A' |
1316 |
1334 |
1.014 |
271 |
2370 |
|
|
12 |
A' |
1127 |
1100 |
0.976 |
271 |
2371 |
|
|
13 |
A' |
1061 |
1053 |
0.992 |
271 |
2372 |
|
|
14 |
A' |
968 |
920 |
0.950 |
271 |
2373 |
|
|
15 |
A' |
893 |
842 |
0.942 |
271 |
2374 |
|
|
16 |
A' |
543 |
551 |
1.015 |
271 |
2375 |
|
|
17 |
A' |
356 |
358 |
1.005 |
271 |
2376 |
|
|
18 |
A' |
169 |
|
|
271 |
2377 |
|
|
19 |
A" |
3129 |
2986 |
0.954 |
271 |
2378 |
|
|
20 |
A" |
3111 |
2964 |
0.953 |
271 |
2379 |
|
|
21 |
A" |
3095 |
2950 |
0.953 |
271 |
2380 |
|
|
22 |
A" |
1502 |
1469 |
0.978 |
271 |
2381 |
|
|
23 |
A" |
1337 |
1267 |
0.948 |
271 |
2382 |
|
|
24 |
A" |
1270 |
1234 |
0.971 |
271 |
2383 |
|
|
25 |
A" |
1137 |
1083 |
0.953 |
271 |
2384 |
|
|
26 |
A" |
880 |
871 |
0.989 |
271 |
2385 |
|
|
27 |
A" |
746 |
764 |
1.024 |
271 |
2386 |
|
|
28 |
A" |
390 |
370 |
0.948 |
271 |
2387 |
|
|
29 |
A" |
224 |
|
|
271 |
2388 |
|
|
30 |
A" |
95 |
|
|
271 |
2389 |
C3H6O3 |
1,3,5-Trioxane |
1 |
A1 |
3170 |
3020 |
0.953 |
272 |
2390 |
|
|
2 |
A1 |
2961 |
2855 |
0.964 |
272 |
2391 |
|
|
3 |
A1 |
1534 |
1477 |
0.963 |
272 |
2392 |
|
|
4 |
A1 |
1255 |
1168 |
0.930 |
272 |
2393 |
|
|
5 |
A1 |
1007 |
970 |
0.963 |
272 |
2394 |
|
|
6 |
A1 |
776 |
749 |
0.966 |
272 |
2395 |
|
|
7 |
A1 |
472 |
476 |
1.009 |
272 |
2396 |
|
|
8 |
A2 |
1412 |
|
|
272 |
2397 |
|
|
9 |
A2 |
1258 |
1255 |
0.997 |
272 |
2398 |
|
|
10 |
A2 |
1004 |
|
|
272 |
2399 |
|
|
11 |
E |
3166 |
3020 |
0.954 |
272 |
2400 |
|
|
12 |
E |
2948 |
2855 |
0.968 |
272 |
2401 |
|
|
13 |
E |
1515 |
1477 |
0.975 |
272 |
2402 |
|
|
14 |
E |
1451 |
1412 |
0.973 |
272 |
2403 |
|
|
15 |
E |
1340 |
1309 |
0.977 |
272 |
2404 |
|
|
16 |
E |
1220 |
1168 |
0.958 |
272 |
2405 |
|
|
17 |
E |
1100 |
1068 |
0.971 |
272 |
2406 |
|
|
18 |
E |
979 |
935 |
0.955 |
272 |
2407 |
|
|
19 |
E |
540 |
524 |
0.971 |
272 |
2408 |
|
|
20 |
E |
296 |
307 |
1.037 |
272 |
2409 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
1 |
A' |
3156 |
2991 |
0.948 |
273 |
2410 |
|
|
2 |
A' |
3134 |
2957 |
0.943 |
273 |
2411 |
|
|
3 |
A' |
3065 |
2920 |
0.953 |
273 |
2412 |
|
|
4 |
A' |
3060 |
2871 |
0.938 |
273 |
2413 |
|
|
5 |
A' |
3058 |
2830 |
0.925 |
273 |
2414 |
|
|
6 |
A' |
1514 |
1461 |
0.965 |
273 |
2415 |
|
|
7 |
A' |
1502 |
1435 |
0.955 |
273 |
2416 |
|
|
8 |
A' |
1495 |
1427 |
0.955 |
273 |
2417 |
|
|
9 |
A' |
1429 |
1377 |
0.964 |
273 |
2418 |
|
|
10 |
A' |
1365 |
1321 |
0.968 |
273 |
2419 |
|
|
11 |
A' |
1314 |
1262 |
0.960 |
273 |
2420 |
|
|
12 |
A' |
1102 |
1060 |
0.962 |
273 |
2421 |
|
|
13 |
A' |
1011 |
|
|
273 |
2422 |
|
|
14 |
A' |
975 |
968 |
0.993 |
273 |
2423 |
|
|
15 |
A' |
747 |
727 |
0.973 |
273 |
2424 |
|
|
16 |
A' |
698 |
654 |
0.936 |
273 |
2425 |
|
|
17 |
A' |
354 |
353 |
0.997 |
273 |
2426 |
|
|
18 |
A' |
202 |
227 |
1.124 |
273 |
2427 |
|
|
19 |
A" |
3142 |
2991 |
0.952 |
273 |
2428 |
|
|
20 |
A" |
3139 |
2957 |
0.942 |
273 |
2429 |
|
|
21 |
A" |
3106 |
2920 |
0.940 |
273 |
2430 |
|
|
22 |
A" |
1494 |
1449 |
0.970 |
273 |
2431 |
|
|
23 |
A" |
1473 |
1435 |
0.974 |
273 |
2432 |
|
|
24 |
A" |
1279 |
1239 |
0.968 |
273 |
2433 |
|
|
25 |
A" |
1060 |
|
|
273 |
2434 |
|
|
26 |
A" |
983 |
954 |
0.970 |
273 |
2435 |
|
|
27 |
A" |
805 |
757 |
0.940 |
273 |
2436 |
|
|
28 |
A" |
228 |
|
|
273 |
2437 |
|
|
29 |
A" |
178 |
|
|
273 |
2438 |
|
|
30 |
A" |
94 |
|
|
273 |
2439 |
C5H6S |
Thiophene, 3-methyl- |
1 |
A' |
3279 |
3111 |
0.949 |
274 |
2440 |
|
|
2 |
A' |
3256 |
3104 |
0.953 |
274 |
2441 |
|
|
3 |
A' |
3227 |
3062 |
0.949 |
274 |
2442 |
|
|
4 |
A' |
3137 |
2971 |
0.947 |
274 |
2443 |
|
|
5 |
A' |
3054 |
2923 |
0.957 |
274 |
2444 |
|
|
6 |
A' |
1625 |
1543 |
0.950 |
274 |
2445 |
|
|
7 |
A' |
1509 |
1447 |
0.959 |
274 |
2446 |
|
|
8 |
A' |
1476 |
1407 |
0.953 |
274 |
2447 |
|
|
9 |
A' |
1438 |
1385 |
0.963 |
274 |
2448 |
|
|
10 |
A' |
1420 |
1373 |
0.967 |
274 |
2449 |
|
|
11 |
A' |
1278 |
1234 |
0.965 |
274 |
2450 |
|
|
12 |
A' |
1192 |
1154 |
0.968 |
274 |
2451 |
|
|
13 |
A' |
1123 |
1080 |
0.962 |
274 |
2452 |
|
|
14 |
A' |
1018 |
993 |
0.975 |
274 |
2453 |
|
|
15 |
A' |
958 |
931 |
0.972 |
274 |
2454 |
|
|
16 |
A' |
885 |
857 |
0.968 |
274 |
2455 |
|
|
17 |
A' |
862 |
830 |
0.963 |
274 |
2456 |
|
|
18 |
A' |
675 |
659 |
0.976 |
274 |
2457 |
|
|
19 |
A' |
552 |
542 |
0.981 |
274 |
2458 |
|
|
20 |
A' |
326 |
329 |
1.010 |
274 |
2459 |
|
|
21 |
A" |
3116 |
2945 |
0.945 |
274 |
2460 |
|
|
22 |
A" |
1490 |
1452 |
0.974 |
274 |
2461 |
|
|
23 |
A" |
1073 |
1036 |
0.965 |
274 |
2462 |
|
|
24 |
A" |
920 |
874 |
0.950 |
274 |
2463 |
|
|
25 |
A" |
788 |
762 |
0.968 |
274 |
2464 |
|
|
26 |
A" |
710 |
685 |
0.965 |
274 |
2465 |
|
|
27 |
A" |
616 |
594 |
0.965 |
274 |
2466 |
|
|
28 |
A" |
472 |
464 |
0.982 |
274 |
2467 |
|
|
29 |
A" |
238 |
238 |
1.000 |
274 |
2468 |
|
|
30 |
A" |
125 |
|
|
274 |
2469 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3244 |
3088 |
0.952 |
275 |
2470 |
|
|
2 |
A |
3175 |
3017 |
0.950 |
275 |
2471 |
|
|
3 |
A |
3155 |
3011 |
0.954 |
275 |
2472 |
|
|
4 |
A |
3152 |
2990 |
0.949 |
275 |
2473 |
|
|
5 |
A |
3140 |
2974 |
0.947 |
275 |
2474 |
|
|
6 |
A |
3123 |
2967 |
0.950 |
275 |
2475 |
|
|
7 |
A |
3061 |
2927 |
0.956 |
275 |
2476 |
|
|
8 |
A |
1735 |
1645 |
0.948 |
275 |
2477 |
|
|
9 |
A |
1507 |
1452 |
0.963 |
275 |
2478 |
|
|
10 |
A |
1494 |
1447 |
0.969 |
275 |
2479 |
|
|
11 |
A |
1466 |
1424 |
0.971 |
275 |
2480 |
|
|
12 |
A |
1419 |
1375 |
0.969 |
275 |
2481 |
|
|
13 |
A |
1347 |
1297 |
0.963 |
275 |
2482 |
|
|
14 |
A |
1327 |
1283 |
0.967 |
275 |
2483 |
|
|
15 |
A |
1277 |
1233 |
0.965 |
275 |
2484 |
|
|
16 |
A |
1207 |
1174 |
0.973 |
275 |
2485 |
|
|
17 |
A |
1117 |
1090 |
0.976 |
275 |
2486 |
|
|
18 |
A |
1057 |
1025 |
0.970 |
275 |
2487 |
|
|
19 |
A |
1028 |
988 |
0.961 |
275 |
2488 |
|
|
20 |
A |
990 |
966 |
0.976 |
275 |
2489 |
|
|
21 |
A |
969 |
931 |
0.960 |
275 |
2490 |
|
|
22 |
A |
884 |
864 |
0.977 |
275 |
2491 |
|
|
23 |
A |
733 |
708 |
0.966 |
275 |
2492 |
|
|
24 |
A |
648 |
625 |
0.964 |
275 |
2493 |
|
|
25 |
A |
466 |
456 |
0.978 |
275 |
2494 |
|
|
26 |
A |
326 |
319 |
0.977 |
275 |
2495 |
|
|
27 |
A |
308 |
305 |
0.990 |
275 |
2496 |
|
|
28 |
A |
281 |
283 |
1.007 |
275 |
2497 |
|
|
29 |
A |
269 |
245 |
0.912 |
275 |
2498 |
|
|
30 |
A |
85 |
92 |
1.087 |
275 |
2499 |
C6H5Cl |
chlorobenzene |
1 |
A1 |
3234 |
3084 |
0.953 |
276 |
2500 |
|
|
2 |
A1 |
3223 |
3054 |
0.947 |
276 |
2501 |
|
|
3 |
A1 |
3202 |
3031 |
0.946 |
276 |
2502 |
|
|
4 |
A1 |
1657 |
1586 |
0.957 |
276 |
2503 |
|
|
5 |
A1 |
1528 |
1483 |
0.970 |
276 |
2504 |
|
|
6 |
A1 |
1210 |
1174 |
0.970 |
276 |
2505 |
|
|
7 |
A1 |
1123 |
1092 |
0.972 |
276 |
2506 |
|
|
8 |
A1 |
1057 |
1025 |
0.970 |
276 |
2507 |
|
|
9 |
A1 |
1026 |
1003 |
0.978 |
276 |
2508 |
|
|
10 |
A1 |
722 |
706 |
0.978 |
276 |
2509 |
|
|
11 |
A1 |
423 |
417 |
0.985 |
276 |
2510 |
|
|
12 |
A2 |
1000 |
961 |
0.961 |
276 |
2511 |
|
|
13 |
A2 |
860 |
832 |
0.968 |
276 |
2512 |
|
|
14 |
A2 |
416 |
403 |
0.968 |
276 |
2513 |
|
|
15 |
B1 |
1014 |
981 |
0.968 |
276 |
2514 |
|
|
16 |
B1 |
937 |
902 |
0.962 |
276 |
2515 |
|
|
17 |
B1 |
762 |
741 |
0.972 |
276 |
2516 |
|
|
18 |
B1 |
700 |
685 |
0.978 |
276 |
2517 |
|
|
19 |
B1 |
483 |
467 |
0.966 |
276 |
2518 |
|
|
20 |
B1 |
187 |
198 |
1.060 |
276 |
2519 |
|
|
21 |
B2 |
3231 |
3098 |
0.959 |
276 |
2520 |
|
|
22 |
B2 |
3212 |
3067 |
0.955 |
276 |
2521 |
|
|
23 |
B2 |
1658 |
1598 |
0.964 |
276 |
2522 |
|
|
24 |
B2 |
1491 |
1448 |
0.971 |
276 |
2523 |
|
|
25 |
B2 |
1353 |
1326 |
0.980 |
276 |
2524 |
|
|
26 |
B2 |
1319 |
1271 |
0.963 |
276 |
2525 |
|
|
27 |
B2 |
1184 |
1157 |
0.977 |
276 |
2526 |
|
|
28 |
B2 |
1108 |
1068 |
0.964 |
276 |
2527 |
|
|
29 |
B2 |
630 |
615 |
0.976 |
276 |
2528 |
|
|
30 |
B2 |
297 |
295 |
0.991 |
276 |
2529 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3253 |
3095 |
0.952 |
277 |
2530 |
|
|
2 |
A' |
3242 |
3095 |
0.955 |
277 |
2531 |
|
|
3 |
A' |
3174 |
3000 |
0.945 |
277 |
2532 |
|
|
4 |
A' |
3163 |
3000 |
0.949 |
277 |
2533 |
|
|
5 |
A' |
3157 |
3000 |
0.950 |
277 |
2534 |
|
|
6 |
A' |
3148 |
2984 |
0.948 |
277 |
2535 |
|
|
7 |
A' |
3049 |
2904 |
0.952 |
277 |
2536 |
|
|
8 |
A' |
1742 |
1638 |
0.941 |
277 |
2537 |
|
|
9 |
A' |
1690 |
1607 |
0.951 |
277 |
2538 |
|
|
10 |
A' |
1509 |
1464 |
0.970 |
277 |
2539 |
|
|
11 |
A' |
1466 |
1420 |
0.969 |
277 |
2540 |
|
|
12 |
A' |
1445 |
1389 |
0.962 |
277 |
2541 |
|
|
13 |
A' |
1419 |
1363 |
0.960 |
277 |
2542 |
|
|
14 |
A' |
1347 |
1313 |
0.975 |
277 |
2543 |
|
|
15 |
A' |
1342 |
1303 |
0.971 |
277 |
2544 |
|
|
16 |
A' |
1099 |
1072 |
0.975 |
277 |
2545 |
|
|
17 |
A' |
1020 |
1012 |
0.993 |
277 |
2546 |
|
|
18 |
A' |
973 |
953 |
0.980 |
277 |
2547 |
|
|
19 |
A' |
801 |
770 |
0.961 |
277 |
2548 |
|
|
20 |
A' |
541 |
530 |
0.979 |
277 |
2549 |
|
|
21 |
A' |
440 |
396 |
0.900 |
277 |
2550 |
|
|
22 |
A' |
283 |
196 |
0.692 |
277 |
2551 |
|
|
23 |
A" |
3107 |
2949 |
0.949 |
277 |
2552 |
|
|
24 |
A" |
1479 |
1451 |
0.981 |
277 |
2553 |
|
|
25 |
A" |
1074 |
1034 |
0.962 |
277 |
2554 |
|
|
26 |
A" |
1028 |
991 |
0.964 |
277 |
2555 |
|
|
27 |
A" |
954 |
907 |
0.950 |
277 |
2556 |
|
|
28 |
A" |
940 |
907 |
0.965 |
277 |
2557 |
|
|
29 |
A" |
797 |
757 |
0.950 |
277 |
2558 |
|
|
30 |
A" |
646 |
615 |
0.953 |
277 |
2559 |
|
|
31 |
A" |
406 |
290 |
0.714 |
277 |
2560 |
|
|
32 |
A" |
161 |
153 |
0.952 |
277 |
2561 |
C5H8 |
Cyclopentene |
1 |
A' |
3219 |
3066 |
0.953 |
278 |
2562 |
|
|
2 |
A' |
3130 |
2958 |
0.945 |
278 |
2563 |
|
|
3 |
A' |
3095 |
2916 |
0.942 |
278 |
2564 |
|
|
4 |
A' |
3072 |
2902 |
0.945 |
278 |
2565 |
|
|
5 |
A' |
3040 |
2852 |
0.938 |
278 |
2566 |
|
|
6 |
A' |
1707 |
1616 |
0.947 |
278 |
2567 |
|
|
7 |
A' |
1522 |
1467 |
0.964 |
278 |
2568 |
|
|
8 |
A' |
1494 |
1449 |
0.970 |
278 |
2569 |
|
|
9 |
A' |
1339 |
1302 |
0.972 |
278 |
2570 |
|
|
10 |
A' |
1242 |
1284 |
1.034 |
278 |
2571 |
|
|
11 |
A' |
1123 |
1213 |
1.080 |
278 |
2572 |
|
|
12 |
A' |
1080 |
1048 |
0.971 |
278 |
2573 |
|
|
13 |
A' |
984 |
964 |
0.980 |
278 |
2574 |
|
|
14 |
A' |
919 |
962 |
1.046 |
278 |
2575 |
|
|
15 |
A' |
835 |
904 |
1.082 |
278 |
2576 |
|
|
16 |
A' |
726 |
692 |
0.954 |
278 |
2577 |
|
|
17 |
A' |
621 |
603 |
0.971 |
278 |
2578 |
|
|
18 |
A' |
161 |
254 |
1.580 |
278 |
2579 |
|
|
19 |
A" |
3193 |
3039 |
0.952 |
278 |
2580 |
|
|
20 |
A" |
3089 |
2967 |
0.960 |
278 |
2581 |
|
|
21 |
A" |
3042 |
2927 |
0.962 |
278 |
2582 |
|
|
22 |
A" |
1499 |
1467 |
0.978 |
278 |
2583 |
|
|
23 |
A" |
1382 |
1432 |
1.036 |
278 |
2584 |
|
|
24 |
A" |
1322 |
1356 |
1.025 |
278 |
2585 |
|
|
25 |
A" |
1312 |
1302 |
0.992 |
278 |
2586 |
|
|
26 |
A" |
1235 |
1297 |
1.051 |
278 |
2587 |
|
|
27 |
A" |
1162 |
1207 |
1.039 |
278 |
2588 |
|
|
28 |
A" |
1051 |
1113 |
1.059 |
278 |
2589 |
|
|
29 |
A" |
997 |
1082 |
1.086 |
278 |
2590 |
|
|
30 |
A" |
924 |
937 |
1.014 |
278 |
2591 |
|
|
31 |
A" |
902 |
800 |
0.887 |
278 |
2592 |
|
|
32 |
A" |
787 |
702 |
0.893 |
278 |
2593 |
|
|
33 |
A" |
397 |
387 |
0.975 |
278 |
2594 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3147 |
2987 |
0.949 |
279 |
2595 |
|
|
2 |
A1 |
3140 |
2941 |
0.937 |
279 |
2596 |
|
|
3 |
A1 |
3039 |
2916 |
0.959 |
279 |
2597 |
|
|
4 |
A1 |
2085 |
1996 |
0.958 |
279 |
2598 |
|
|
5 |
A1 |
1518 |
1470 |
0.969 |
279 |
2599 |
|
|
6 |
A1 |
1475 |
1438 |
0.975 |
279 |
2600 |
|
|
7 |
A1 |
1417 |
1369 |
0.966 |
279 |
2601 |
|
|
8 |
A1 |
1326 |
1286 |
0.970 |
279 |
2602 |
|
|
9 |
A1 |
1029 |
973 |
0.946 |
279 |
2603 |
|
|
10 |
A1 |
746 |
726 |
0.973 |
279 |
2604 |
|
|
11 |
A1 |
344 |
349 |
1.014 |
279 |
2605 |
|
|
12 |
A2 |
3094 |
2941 |
0.950 |
279 |
2606 |
|
|
13 |
A2 |
1482 |
1470 |
0.992 |
279 |
2607 |
|
|
14 |
A2 |
1011 |
985 |
0.974 |
279 |
2608 |
|
|
15 |
A2 |
622 |
617 |
0.993 |
279 |
2609 |
|
|
17 |
B1 |
3218 |
3051 |
0.948 |
279 |
2610 |
|
|
18 |
B1 |
3095 |
2941 |
0.950 |
279 |
2611 |
|
|
19 |
B1 |
1500 |
1470 |
0.980 |
279 |
2612 |
|
|
20 |
B1 |
1108 |
1068 |
0.964 |
279 |
2613 |
|
|
21 |
B1 |
1034 |
1004 |
0.971 |
279 |
2614 |
|
|
22 |
B1 |
472 |
443 |
0.938 |
279 |
2615 |
|
|
23 |
B1 |
266 |
187 |
0.703 |
279 |
2616 |
|
|
25 |
B2 |
3145 |
2941 |
0.935 |
279 |
2617 |
|
|
26 |
B2 |
3037 |
2916 |
0.960 |
279 |
2618 |
|
|
27 |
B2 |
1476 |
1470 |
0.996 |
279 |
2619 |
|
|
28 |
B2 |
1404 |
1369 |
0.975 |
279 |
2620 |
|
|
29 |
B2 |
1226 |
1191 |
0.972 |
279 |
2621 |
|
|
30 |
B2 |
972 |
968 |
0.996 |
279 |
2622 |
|
|
31 |
B2 |
896 |
848 |
0.947 |
279 |
2623 |
|
|
32 |
B2 |
611 |
554 |
0.907 |
279 |
2624 |
|
|
33 |
B2 |
184 |
187 |
1.018 |
279 |
2625 |
C5H8 |
1,3-Pentadiene, (E)- |
1 |
A' |
3245 |
3090 |
0.952 |
280 |
2626 |
|
|
2 |
A' |
3164 |
3015 |
0.953 |
280 |
2627 |
|
|
3 |
A' |
3155 |
3015 |
0.956 |
280 |
2628 |
|
|
4 |
A' |
3151 |
3015 |
0.957 |
280 |
2629 |
|
|
5 |
A' |
3147 |
3015 |
0.958 |
280 |
2630 |
|
|
6 |
A' |
3130 |
2940 |
0.939 |
280 |
2631 |
|
|
7 |
A' |
3045 |
2919 |
0.958 |
280 |
2632 |
|
|
8 |
A' |
1762 |
1661 |
0.943 |
280 |
2633 |
|
|
9 |
A' |
1699 |
1610 |
0.948 |
280 |
2634 |
|
|
10 |
A' |
1503 |
1433 |
0.954 |
280 |
2635 |
|
|
11 |
A' |
1460 |
1422 |
0.974 |
280 |
2636 |
|
|
12 |
A' |
1427 |
1385 |
0.970 |
280 |
2637 |
|
|
13 |
A' |
1352 |
1316 |
0.974 |
280 |
2638 |
|
|
14 |
A' |
1336 |
1299 |
0.972 |
280 |
2639 |
|
|
15 |
A' |
1309 |
1280 |
0.978 |
280 |
2640 |
|
|
16 |
A' |
1216 |
1166 |
0.959 |
280 |
2641 |
|
|
17 |
A' |
1110 |
1037 |
0.934 |
280 |
2642 |
|
|
18 |
A' |
998 |
985 |
0.987 |
280 |
2643 |
|
|
19 |
A' |
920 |
862 |
0.937 |
280 |
2644 |
|
|
20 |
A' |
489 |
483 |
0.987 |
280 |
2645 |
|
|
21 |
A' |
464 |
418 |
0.900 |
280 |
2646 |
|
|
22 |
A' |
205 |
212 |
1.035 |
280 |
2647 |
|
|
23 |
A" |
3102 |
2971 |
0.958 |
280 |
2648 |
|
|
24 |
A" |
1478 |
1453 |
0.983 |
280 |
2649 |
|
|
25 |
A" |
1075 |
1017 |
0.946 |
280 |
2650 |
|
|
26 |
A" |
1036 |
1002 |
0.967 |
280 |
2651 |
|
|
27 |
A" |
979 |
912 |
0.932 |
280 |
2652 |
|
|
28 |
A" |
934 |
899 |
0.963 |
280 |
2653 |
|
|
29 |
A" |
851 |
820 |
0.964 |
280 |
2654 |
|
|
30 |
A" |
636 |
615 |
0.967 |
280 |
2655 |
|
|
33 |
A" |
123 |
129 |
1.045 |
280 |
2656 |
C5H8 |
Spiropentane |
1 |
A1 |
3147 |
3000 |
0.953 |
281 |
2657 |
|
|
2 |
A1 |
1507 |
1423 |
0.944 |
281 |
2658 |
|
|
3 |
A1 |
1086 |
1160 |
1.068 |
281 |
2659 |
|
|
4 |
A1 |
1055 |
1037 |
0.983 |
281 |
2660 |
|
|
5 |
A1 |
611 |
588 |
0.963 |
281 |
2661 |
|
|
6 |
A2 |
3222 |
3070 |
0.953 |
281 |
2662 |
|
|
7 |
A2 |
1181 |
1174 |
0.994 |
281 |
2663 |
|
|
8 |
A2 |
844 |
919 |
1.089 |
281 |
2664 |
|
|
9 |
B1 |
3221 |
3066 |
0.952 |
281 |
2665 |
|
|
10 |
B1 |
1192 |
1166 |
0.979 |
281 |
2666 |
|
|
11 |
B1 |
1023 |
888 |
0.868 |
281 |
2667 |
|
|
12 |
B1 |
299 |
300 |
1.003 |
281 |
2668 |
|
|
13 |
B2 |
3147 |
3000 |
0.953 |
281 |
2669 |
|
|
14 |
B2 |
1599 |
1521 |
0.951 |
281 |
2670 |
|
|
15 |
B2 |
1444 |
1415 |
0.980 |
281 |
2671 |
|
|
16 |
B2 |
1019 |
990 |
0.972 |
281 |
2672 |
|
|
17 |
B2 |
914 |
872 |
0.955 |
281 |
2673 |
|
|
18 |
E |
3235 |
3067 |
0.948 |
281 |
2674 |
|
|
19 |
E |
3142 |
2985 |
0.950 |
281 |
2675 |
|
|
20 |
E |
1474 |
1431 |
0.971 |
281 |
2676 |
|
|
21 |
E |
1190 |
1150 |
0.966 |
281 |
2677 |
|
|
22 |
E |
1084 |
1049 |
0.967 |
281 |
2678 |
|
|
23 |
E |
897 |
870 |
0.970 |
281 |
2679 |
|
|
24 |
E |
804 |
780 |
0.970 |
281 |
2680 |
|
|
25 |
E |
301 |
308 |
1.023 |
281 |
2681 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3087 |
2953 |
0.957 |
282 |
2682 |
|
|
2 |
A1 |
2936 |
2775 |
0.945 |
282 |
2683 |
|
|
3 |
A1 |
1510 |
1459 |
0.966 |
282 |
2684 |
|
|
4 |
A1 |
1495 |
1444 |
0.966 |
282 |
2685 |
|
|
5 |
A1 |
1215 |
1186 |
0.976 |
282 |
2686 |
|
|
6 |
A1 |
859 |
828 |
0.965 |
282 |
2687 |
|
|
7 |
A1 |
364 |
367 |
1.006 |
282 |
2688 |
|
|
8 |
A2 |
3128 |
2977 |
0.952 |
282 |
2689 |
|
|
9 |
A2 |
1491 |
1453 |
0.974 |
282 |
2690 |
|
|
10 |
A2 |
1076 |
1046 |
0.972 |
282 |
2691 |
|
|
11 |
A2 |
239 |
255 |
1.068 |
282 |
2692 |
|
|
12 |
E |
3132 |
2981 |
0.952 |
282 |
2693 |
|
|
13 |
E |
3084 |
2953 |
0.958 |
282 |
2694 |
|
|
14 |
E |
2927 |
2776 |
0.949 |
282 |
2695 |
|
|
15 |
E |
1515 |
1471 |
0.971 |
282 |
2696 |
|
|
16 |
E |
1489 |
1444 |
0.970 |
282 |
2697 |
|
|
17 |
E |
1452 |
1409 |
0.971 |
282 |
2698 |
|
|
18 |
E |
1327 |
1275 |
0.961 |
282 |
2699 |
|
|
19 |
E |
1128 |
1103 |
0.978 |
282 |
2700 |
|
|
20 |
E |
1080 |
1043 |
0.966 |
282 |
2701 |
|
|
21 |
E |
433 |
424 |
0.977 |
282 |
2702 |
|
|
22 |
E |
267 |
281 |
1.052 |
282 |
2703 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3136 |
2974 |
0.948 |
283 |
2704 |
|
|
2 |
A' |
3124 |
2953 |
0.945 |
283 |
2705 |
|
|
3 |
A' |
3088 |
2940 |
0.952 |
283 |
2706 |
|
|
4 |
A' |
3049 |
2876 |
0.943 |
283 |
2707 |
|
|
5 |
A' |
2863 |
2757 |
0.963 |
283 |
2708 |
|
|
6 |
A' |
1849 |
1752 |
0.948 |
283 |
2709 |
|
|
7 |
A' |
1517 |
1474 |
0.972 |
283 |
2710 |
|
|
8 |
A' |
1514 |
1449 |
0.957 |
283 |
2711 |
|
|
9 |
A' |
1438 |
1399 |
0.973 |
283 |
2712 |
|
|
10 |
A' |
1422 |
1381 |
0.971 |
283 |
2713 |
|
|
11 |
A' |
1328 |
1329 |
1.001 |
283 |
2714 |
|
|
12 |
A' |
1193 |
1182 |
0.991 |
283 |
2715 |
|
|
13 |
A' |
1189 |
1138 |
0.957 |
283 |
2716 |
|
|
14 |
A' |
931 |
922 |
0.990 |
283 |
2717 |
|
|
15 |
A' |
856 |
800 |
0.935 |
283 |
2718 |
|
|
16 |
A' |
553 |
632 |
1.144 |
283 |
2719 |
|
|
17 |
A' |
361 |
395 |
1.094 |
283 |
2720 |
|
|
18 |
A' |
339 |
272 |
0.802 |
283 |
2721 |
|
|
19 |
A' |
244 |
212 |
0.869 |
283 |
2722 |
|
|
20 |
A" |
3135 |
2990 |
0.954 |
283 |
2723 |
|
|
21 |
A" |
3118 |
2982 |
0.956 |
283 |
2724 |
|
|
22 |
A" |
3048 |
2885 |
0.947 |
283 |
2725 |
|
|
23 |
A" |
1501 |
1467 |
0.977 |
283 |
2726 |
|
|
24 |
A" |
1491 |
1452 |
0.974 |
283 |
2727 |
|
|
25 |
A" |
1406 |
1437 |
1.022 |
283 |
2728 |
|
|
26 |
A" |
1345 |
1290 |
0.959 |
283 |
2729 |
|
|
27 |
A" |
1146 |
1109 |
0.968 |
283 |
2730 |
|
|
28 |
A" |
994 |
965 |
0.971 |
283 |
2731 |
|
|
29 |
A" |
960 |
942 |
0.981 |
283 |
2732 |
|
|
30 |
A" |
935 |
933 |
0.998 |
283 |
2733 |
|
|
31 |
A" |
331 |
351 |
1.061 |
283 |
2734 |
|
|
32 |
A" |
219 |
227 |
1.037 |
283 |
2735 |
|
|
33 |
A" |
30 |
75 |
2.530 |
283 |
2736 |
CH3COCH2CH3 |
2-Butanone |
1 |
A' |
3177 |
2983 |
0.939 |
284 |
2737 |
|
|
2 |
A' |
3145 |
2983 |
0.949 |
284 |
2738 |
|
|
3 |
A' |
3070 |
2910 |
0.948 |
284 |
2739 |
|
|
4 |
A' |
3061 |
2910 |
0.951 |
284 |
2740 |
|
|
5 |
A' |
3046 |
2884 |
0.947 |
284 |
2741 |
|
|
6 |
A' |
1829 |
1716 |
0.938 |
284 |
2742 |
|
|
7 |
A' |
1496 |
1460 |
0.976 |
284 |
2743 |
|
|
8 |
A' |
1468 |
1422 |
0.969 |
284 |
2744 |
|
|
9 |
A' |
1446 |
1413 |
0.977 |
284 |
2745 |
|
|
10 |
A' |
1416 |
1373 |
0.970 |
284 |
2746 |
|
|
11 |
A' |
1396 |
1346 |
0.964 |
284 |
2747 |
|
|
12 |
A' |
1376 |
1263 |
0.918 |
284 |
2748 |
|
|
13 |
A' |
1201 |
1182 |
0.984 |
284 |
2749 |
|
|
14 |
A' |
1116 |
1089 |
0.976 |
284 |
2750 |
|
|
15 |
A' |
1014 |
997 |
0.983 |
284 |
2751 |
|
|
16 |
A' |
952 |
939 |
0.987 |
284 |
2752 |
|
|
17 |
A' |
773 |
760 |
0.983 |
284 |
2753 |
|
|
18 |
A' |
596 |
590 |
0.989 |
284 |
2754 |
|
|
19 |
A' |
410 |
413 |
1.008 |
284 |
2755 |
|
|
20 |
A' |
248 |
260 |
1.050 |
284 |
2756 |
|
|
21 |
A" |
3149 |
2983 |
0.947 |
284 |
2757 |
|
|
22 |
A" |
3126 |
2983 |
0.954 |
284 |
2758 |
|
|
23 |
A" |
3077 |
2941 |
0.956 |
284 |
2759 |
|
|
24 |
A" |
1491 |
1460 |
0.979 |
284 |
2760 |
|
|
25 |
A" |
1477 |
1413 |
0.957 |
284 |
2761 |
|
|
26 |
A" |
1286 |
1263 |
0.982 |
284 |
2762 |
|
|
27 |
A" |
1131 |
1108 |
0.980 |
284 |
2763 |
|
|
28 |
A" |
945 |
952 |
1.008 |
284 |
2764 |
|
|
29 |
A" |
738 |
768 |
1.040 |
284 |
2765 |
|
|
30 |
A" |
460 |
460 |
0.999 |
284 |
2766 |
|
|
31 |
A" |
154 |
201 |
1.305 |
284 |
2767 |
|
|
32 |
A" |
64i |
106 |
-1.648 |
284 |
2768 |
|
|
33 |
A" |
145i |
87 |
-0.601 |
284 |
2769 |
C4H8O |
Cyclobutanol |
1 |
A' |
3881 |
3656 |
0.942 |
285 |
2770 |
|
|
2 |
A' |
3153 |
2993 |
0.949 |
285 |
2771 |
|
|
3 |
A' |
3137 |
2979 |
0.950 |
285 |
2772 |
|
|
4 |
A' |
3101 |
2968 |
0.957 |
285 |
2773 |
|
|
5 |
A' |
3093 |
2943 |
0.952 |
285 |
2774 |
|
|
6 |
A' |
3064 |
2875 |
0.938 |
285 |
2775 |
|
|
7 |
A' |
1516 |
1469 |
0.969 |
285 |
2776 |
|
|
8 |
A' |
1487 |
1450 |
0.975 |
285 |
2777 |
|
|
9 |
A' |
1447 |
1393 |
0.962 |
285 |
2778 |
|
|
10 |
A' |
1341 |
1278 |
0.953 |
285 |
2779 |
|
|
11 |
A' |
1279 |
1241 |
0.971 |
285 |
2780 |
|
|
12 |
A' |
1221 |
1120 |
0.917 |
285 |
2781 |
|
|
13 |
A' |
1162 |
1097 |
0.944 |
285 |
2782 |
|
|
14 |
A' |
1094 |
1071 |
0.979 |
285 |
2783 |
|
|
15 |
A' |
994 |
963 |
0.969 |
285 |
2784 |
|
|
16 |
A' |
914 |
825 |
0.902 |
285 |
2785 |
|
|
17 |
A' |
760 |
750 |
0.987 |
285 |
2786 |
|
|
18 |
A' |
611 |
602 |
0.986 |
285 |
2787 |
|
|
19 |
A' |
463 |
457 |
0.988 |
285 |
2788 |
|
|
20 |
A' |
183 |
170 |
0.930 |
285 |
2789 |
|
|
21 |
A" |
3136 |
2979 |
0.950 |
285 |
2790 |
|
|
22 |
A" |
3060 |
2964 |
0.969 |
285 |
2791 |
|
|
23 |
A" |
1478 |
1438 |
0.973 |
285 |
2792 |
|
|
24 |
A" |
1296 |
1211 |
0.934 |
285 |
2793 |
|
|
25 |
A" |
1257 |
1199 |
0.954 |
285 |
2794 |
|
|
26 |
A" |
1248 |
1160 |
0.930 |
285 |
2795 |
|
|
27 |
A" |
1195 |
1029 |
0.861 |
285 |
2796 |
|
|
28 |
A" |
1057 |
958 |
0.906 |
285 |
2797 |
|
|
29 |
A" |
948 |
927 |
0.978 |
285 |
2798 |
|
|
30 |
A" |
931 |
902 |
0.969 |
285 |
2799 |
|
|
31 |
A" |
789 |
781 |
0.989 |
285 |
2800 |
|
|
32 |
A" |
400 |
380 |
0.951 |
285 |
2801 |
|
|
33 |
A" |
285 |
243 |
0.851 |
285 |
2802 |
CH3CH(CH3)CH3 |
Isobutane |
1 |
A1 |
3114 |
2965 |
0.952 |
286 |
2803 |
|
|
2 |
A1 |
3043 |
2904 |
0.954 |
286 |
2804 |
|
|
3 |
A1 |
3038 |
2880 |
0.948 |
286 |
2805 |
|
|
4 |
A1 |
1511 |
1477 |
0.978 |
286 |
2806 |
|
|
5 |
A1 |
1425 |
1394 |
0.978 |
286 |
2807 |
|
|
6 |
A1 |
1211 |
1177 |
0.972 |
286 |
2808 |
|
|
7 |
A1 |
809 |
797 |
0.985 |
286 |
2809 |
|
|
8 |
A1 |
432 |
426 |
0.986 |
286 |
2810 |
|
|
9 |
A2 |
3115 |
|
|
286 |
2811 |
|
|
10 |
A2 |
1476 |
|
|
286 |
2812 |
|
|
11 |
A2 |
952 |
|
|
286 |
2813 |
|
|
12 |
A2 |
146 |
198 |
1.360 |
286 |
2814 |
|
|
13 |
E |
3119 |
2962 |
0.950 |
286 |
2815 |
|
|
14 |
E |
3105 |
2951 |
0.950 |
286 |
2816 |
|
|
15 |
E |
3037 |
2887 |
0.951 |
286 |
2817 |
|
|
16 |
E |
1503 |
1468 |
0.977 |
286 |
2818 |
|
|
17 |
E |
1483 |
1459 |
0.984 |
286 |
2819 |
|
|
18 |
E |
1400 |
1371 |
0.979 |
286 |
2820 |
|
|
19 |
E |
1358 |
1330 |
0.980 |
286 |
2821 |
|
|
20 |
E |
1199 |
1166 |
0.972 |
286 |
2822 |
|
|
21 |
E |
980 |
961 |
0.980 |
286 |
2823 |
|
|
22 |
E |
920 |
918 |
0.998 |
286 |
2824 |
|
|
23 |
E |
364 |
367 |
1.009 |
286 |
2825 |
|
|
24 |
E |
217 |
280 |
1.289 |
286 |
2826 |
CH3CH2CH2CH3 |
Butane |
1 |
Ag |
3117 |
2965 |
0.951 |
287 |
2827 |
|
|
2 |
Ag |
3042 |
2872 |
0.944 |
287 |
2828 |
|
|
3 |
Ag |
3031 |
2853 |
0.941 |
287 |
2829 |
|
|
4 |
Ag |
1498 |
1460 |
0.974 |
287 |
2830 |
|
|
5 |
Ag |
1486 |
1442 |
0.971 |
287 |
2831 |
|
|
6 |
Ag |
1421 |
1382 |
0.973 |
287 |
2832 |
|
|
7 |
Ag |
1410 |
1361 |
0.965 |
287 |
2833 |
|
|
8 |
Ag |
1179 |
1151 |
0.976 |
287 |
2834 |
|
|
9 |
Ag |
1084 |
1059 |
0.977 |
287 |
2835 |
|
|
10 |
Ag |
850 |
837 |
0.985 |
287 |
2836 |
|
|
11 |
Ag |
434 |
425 |
0.979 |
287 |
2837 |
|
|
12 |
Au |
3114 |
2968 |
0.953 |
287 |
2838 |
|
|
13 |
Au |
3078 |
2930 |
0.952 |
287 |
2839 |
|
|
14 |
Au |
1507 |
1461 |
0.969 |
287 |
2840 |
|
|
15 |
Au |
1302 |
1257 |
0.965 |
287 |
2841 |
|
|
16 |
Au |
978 |
948 |
0.969 |
287 |
2842 |
|
|
17 |
Au |
727 |
731 |
1.005 |
287 |
2843 |
|
|
18 |
Au |
218 |
194 |
0.889 |
287 |
2844 |
|
|
19 |
Au |
108 |
102 |
0.942 |
287 |
2845 |
|
|
20 |
Bg |
3110 |
2965 |
0.953 |
287 |
2846 |
|
|
21 |
Bg |
3056 |
2912 |
0.953 |
287 |
2847 |
|
|
22 |
Bg |
1505 |
1460 |
0.970 |
287 |
2848 |
|
|
23 |
Bg |
1348 |
1300 |
0.964 |
287 |
2849 |
|
|
24 |
Bg |
1214 |
1180 |
0.972 |
287 |
2850 |
|
|
25 |
Bg |
819 |
803 |
0.981 |
287 |
2851 |
|
|
26 |
Bg |
249 |
225 |
0.904 |
287 |
2852 |
|
|
27 |
Bu |
3117 |
2968 |
0.952 |
287 |
2853 |
|
|
28 |
Bu |
3041 |
2870 |
0.944 |
287 |
2854 |
|
|
29 |
Bu |
3038 |
2853 |
0.939 |
287 |
2855 |
|
|
30 |
Bu |
1506 |
1461 |
0.970 |
287 |
2856 |
|
|
31 |
Bu |
1486 |
1461 |
0.983 |
287 |
2857 |
|
|
32 |
Bu |
1419 |
1379 |
0.972 |
287 |
2858 |
|
|
33 |
Bu |
1337 |
1290 |
0.965 |
287 |
2859 |
|
|
34 |
Bu |
1034 |
1009 |
0.976 |
287 |
2860 |
|
|
35 |
Bu |
986 |
964 |
0.977 |
287 |
2861 |
|
|
36 |
Bu |
267 |
271 |
1.014 |
287 |
2862 |
C6H8 |
(E)-hexa-1,3,5-triene |
1 |
Ag |
3251 |
3085 |
0.949 |
288 |
2863 |
|
|
2 |
Ag |
3172 |
3054 |
0.963 |
288 |
2864 |
|
|
3 |
Ag |
3161 |
3054 |
0.966 |
288 |
2865 |
|
|
4 |
Ag |
3156 |
2989 |
0.947 |
288 |
2866 |
|
|
5 |
Ag |
1746 |
1627 |
0.932 |
288 |
2867 |
|
|
6 |
Ag |
1669 |
1579 |
0.946 |
288 |
2868 |
|
|
7 |
Ag |
1447 |
1400 |
0.968 |
288 |
2869 |
|
|
8 |
Ag |
1350 |
1288 |
0.954 |
288 |
2870 |
|
|
9 |
Ag |
1331 |
1220 |
0.917 |
288 |
2871 |
|
|
10 |
Ag |
1228 |
1192 |
0.971 |
288 |
2872 |
|
|
11 |
Ag |
956 |
934 |
0.977 |
288 |
2873 |
|
|
12 |
Ag |
448 |
444 |
0.990 |
288 |
2874 |
|
|
13 |
Ag |
353 |
355 |
1.005 |
288 |
2875 |
|
|
14 |
Au |
1056 |
1013 |
0.959 |
288 |
2876 |
|
|
15 |
Au |
980 |
941 |
0.960 |
288 |
2877 |
|
|
16 |
Au |
951 |
901 |
0.948 |
288 |
2878 |
|
|
17 |
Au |
720 |
683 |
0.949 |
288 |
2879 |
|
|
18 |
Au |
255 |
|
|
288 |
2880 |
|
|
19 |
Au |
92 |
90 |
0.976 |
288 |
2881 |
|
|
20 |
Bg |
1028 |
988 |
0.961 |
288 |
2882 |
|
|
21 |
Bg |
960 |
928 |
0.967 |
288 |
2883 |
|
|
22 |
Bg |
917 |
872 |
0.951 |
288 |
2884 |
|
|
23 |
Bg |
618 |
|
|
288 |
2885 |
|
|
24 |
Bg |
205 |
217 |
1.057 |
288 |
2886 |
|
|
25 |
Bu |
3251 |
3099 |
0.953 |
288 |
2887 |
|
|
26 |
Bu |
3173 |
3045 |
0.960 |
288 |
2888 |
|
|
27 |
Bu |
3162 |
3019 |
0.955 |
288 |
2889 |
|
|
28 |
Bu |
3156 |
2953 |
0.936 |
288 |
2890 |
|
|
29 |
Bu |
1721 |
1629 |
0.947 |
288 |
2891 |
|
|
30 |
Bu |
1475 |
1432 |
0.971 |
288 |
2892 |
|
|
31 |
Bu |
1343 |
1295 |
0.964 |
288 |
2893 |
|
|
32 |
Bu |
1297 |
1255 |
0.967 |
288 |
2894 |
|
|
33 |
Bu |
1163 |
1186 |
1.020 |
288 |
2895 |
|
|
34 |
Bu |
986 |
963 |
0.977 |
288 |
2896 |
|
|
35 |
Bu |
553 |
590 |
1.067 |
288 |
2897 |
|
|
36 |
Bu |
145 |
170 |
1.171 |
288 |
2898 |
C4H9N |
Pyrrolidine |
1 |
A' |
3581 |
3356 |
0.937 |
289 |
2899 |
|
|
2 |
A' |
3148 |
2975 |
0.945 |
289 |
2900 |
|
|
3 |
A' |
3107 |
2927 |
0.942 |
289 |
2901 |
|
|
4 |
A' |
3094 |
2889 |
0.934 |
289 |
2902 |
|
|
5 |
A' |
2958 |
2824 |
0.955 |
289 |
2903 |
|
|
6 |
A' |
1547 |
1484 |
0.959 |
289 |
2904 |
|
|
7 |
A' |
1521 |
1447 |
0.951 |
289 |
2905 |
|
|
8 |
A' |
1397 |
1292 |
0.925 |
289 |
2906 |
|
|
9 |
A' |
1330 |
1273 |
0.957 |
289 |
2907 |
|
|
10 |
A' |
1258 |
1228 |
0.976 |
289 |
2908 |
|
|
11 |
A' |
1242 |
1181 |
0.951 |
289 |
2909 |
|
|
12 |
A' |
1084 |
974 |
0.898 |
289 |
2910 |
|
|
13 |
A' |
1015 |
920 |
0.906 |
289 |
2911 |
|
|
14 |
A' |
963 |
901 |
0.935 |
289 |
2912 |
|
|
15 |
A' |
918 |
871 |
0.949 |
289 |
2913 |
|
|
16 |
A' |
885 |
832 |
0.940 |
289 |
2914 |
|
|
17 |
A' |
781 |
789 |
1.010 |
289 |
2915 |
|
|
18 |
A' |
588 |
579 |
0.985 |
289 |
2916 |
|
|
19 |
A' |
305 |
299 |
0.981 |
289 |
2917 |
|
|
20 |
A" |
3126 |
2967 |
0.949 |
289 |
2918 |
|
|
21 |
A" |
3100 |
2916 |
0.941 |
289 |
2919 |
|
|
22 |
A" |
3086 |
2879 |
0.933 |
289 |
2920 |
|
|
23 |
A" |
2957 |
2818 |
0.953 |
289 |
2921 |
|
|
24 |
A" |
1529 |
1459 |
0.954 |
289 |
2922 |
|
|
25 |
A" |
1500 |
1412 |
0.941 |
289 |
2923 |
|
|
26 |
A" |
1448 |
1341 |
0.926 |
289 |
2924 |
|
|
27 |
A" |
1341 |
1268 |
0.945 |
289 |
2925 |
|
|
28 |
A" |
1317 |
1211 |
0.919 |
289 |
2926 |
|
|
29 |
A" |
1260 |
1203 |
0.955 |
289 |
2927 |
|
|
30 |
A" |
1214 |
1171 |
0.965 |
289 |
2928 |
|
|
31 |
A" |
1155 |
1099 |
0.951 |
289 |
2929 |
|
|
32 |
A" |
1125 |
1023 |
0.910 |
289 |
2930 |
|
|
33 |
A" |
947 |
883 |
0.932 |
289 |
2931 |
|
|
34 |
A" |
886 |
848 |
0.957 |
289 |
2932 |
|
|
35 |
A" |
646 |
600 |
0.929 |
289 |
2933 |
|
|
36 |
A" |
107 |
65 |
0.606 |
289 |
2934 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3531 |
3345 |
0.947 |
290 |
2935 |
|
|
2 |
A' |
3158 |
2975 |
0.942 |
290 |
2936 |
|
|
3 |
A' |
3130 |
2950 |
0.942 |
290 |
2937 |
|
|
4 |
A' |
3098 |
2918 |
0.942 |
290 |
2938 |
|
|
5 |
A' |
3083 |
2905 |
0.942 |
290 |
2939 |
|
|
6 |
A' |
3012 |
2887 |
0.958 |
290 |
2940 |
|
|
7 |
A' |
1659 |
1614 |
0.973 |
290 |
2941 |
|
|
8 |
A' |
1506 |
1467 |
0.974 |
290 |
2942 |
|
|
9 |
A' |
1475 |
1443 |
0.978 |
290 |
2943 |
|
|
10 |
A' |
1404 |
1390 |
0.990 |
290 |
2944 |
|
|
11 |
A' |
1300 |
1291 |
0.993 |
290 |
2945 |
|
|
12 |
A' |
1252 |
1237 |
0.988 |
290 |
2946 |
|
|
13 |
A' |
1172 |
1137 |
0.970 |
290 |
2947 |
|
|
14 |
A' |
1093 |
1120 |
1.024 |
290 |
2948 |
|
|
15 |
A' |
970 |
1050 |
1.082 |
290 |
2949 |
|
|
16 |
A' |
897 |
965 |
1.076 |
290 |
2950 |
|
|
17 |
A' |
862 |
788 |
0.914 |
290 |
2951 |
|
|
18 |
A' |
810 |
752 |
0.928 |
290 |
2952 |
|
|
19 |
A' |
674 |
606 |
0.900 |
290 |
2953 |
|
|
20 |
A' |
401 |
448 |
1.116 |
290 |
2954 |
|
|
21 |
A' |
137 |
174 |
1.269 |
290 |
2955 |
|
|
22 |
A" |
3613 |
3411 |
0.944 |
290 |
2956 |
|
|
23 |
A" |
3136 |
2970 |
0.947 |
290 |
2957 |
|
|
24 |
A" |
3079 |
2957 |
0.960 |
290 |
2958 |
|
|
25 |
A" |
1463 |
1452 |
0.993 |
290 |
2959 |
|
|
26 |
A" |
1352 |
1213 |
0.897 |
290 |
2960 |
|
|
27 |
A" |
1282 |
1185 |
0.924 |
290 |
2961 |
|
|
28 |
A" |
1272 |
1168 |
0.918 |
290 |
2962 |
|
|
29 |
A" |
1234 |
1036 |
0.840 |
290 |
2963 |
|
|
30 |
A" |
1176 |
|
|
290 |
2964 |
|
|
31 |
A" |
1041 |
925 |
0.889 |
290 |
2965 |
|
|
32 |
A" |
956 |
912 |
0.954 |
290 |
2966 |
|
|
33 |
A" |
931 |
883 |
0.949 |
290 |
2967 |
|
|
34 |
A" |
765 |
788 |
1.030 |
290 |
2968 |
|
|
35 |
A" |
392 |
354 |
0.903 |
290 |
2969 |
|
|
36 |
A" |
262 |
240 |
0.917 |
290 |
2970 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3123 |
2968 |
0.950 |
291 |
2971 |
|
|
2 |
Ag |
3000 |
2856 |
0.952 |
291 |
2972 |
|
|
3 |
Ag |
1501 |
1444 |
0.962 |
291 |
2973 |
|
|
4 |
Ag |
1427 |
1397 |
0.979 |
291 |
2974 |
|
|
5 |
Ag |
1339 |
1305 |
0.975 |
291 |
2975 |
|
|
6 |
Ag |
1153 |
1128 |
0.978 |
291 |
2976 |
|
|
7 |
Ag |
1044 |
1015 |
0.972 |
291 |
2977 |
|
|
8 |
Ag |
864 |
837 |
0.969 |
291 |
2978 |
|
|
9 |
Ag |
446 |
435 |
0.976 |
291 |
2979 |
|
|
10 |
Ag |
415 |
424 |
1.021 |
291 |
2980 |
|
|
11 |
Au |
3121 |
2970 |
0.952 |
291 |
2981 |
|
|
12 |
Au |
2996 |
2863 |
0.956 |
291 |
2982 |
|
|
13 |
Au |
1486 |
1449 |
0.975 |
291 |
2983 |
|
|
14 |
Au |
1396 |
1369 |
0.981 |
291 |
2984 |
|
|
15 |
Au |
1294 |
1256 |
0.970 |
291 |
2985 |
|
|
16 |
Au |
1182 |
1136 |
0.961 |
291 |
2986 |
|
|
17 |
Au |
1112 |
1086 |
0.977 |
291 |
2987 |
|
|
18 |
Au |
908 |
881 |
0.971 |
291 |
2988 |
|
|
19 |
Au |
240 |
288 |
1.201 |
291 |
2989 |
|
|
20 |
Bg |
3121 |
2968 |
0.951 |
291 |
2990 |
|
|
21 |
Bg |
3007 |
2856 |
0.950 |
291 |
2991 |
|
|
22 |
Bg |
1484 |
1459 |
0.983 |
291 |
2992 |
|
|
23 |
Bg |
1367 |
1335 |
0.976 |
291 |
2993 |
|
|
24 |
Bg |
1248 |
1217 |
0.975 |
291 |
2994 |
|
|
25 |
Bg |
1176 |
1110 |
0.944 |
291 |
2995 |
|
|
26 |
Bg |
866 |
853 |
0.985 |
291 |
2996 |
|
|
27 |
Bg |
493 |
490 |
0.993 |
291 |
2997 |
|
|
28 |
Bu |
3122 |
2970 |
0.951 |
291 |
2998 |
|
|
29 |
Bu |
3009 |
2863 |
0.951 |
291 |
2999 |
|
|
30 |
Bu |
1495 |
1457 |
0.974 |
291 |
3000 |
|
|
31 |
Bu |
1415 |
1378 |
0.974 |
291 |
3001 |
|
|
32 |
Bu |
1327 |
1291 |
0.973 |
291 |
3002 |
|
|
33 |
Bu |
1074 |
1052 |
0.980 |
291 |
3003 |
|
|
34 |
Bu |
914 |
889 |
0.972 |
291 |
3004 |
|
|
35 |
Bu |
613 |
610 |
0.995 |
291 |
3005 |
|
|
36 |
Bu |
268 |
274 |
1.023 |
291 |
3006 |
C6H5CHO |
benzaldehyde |
1 |
A' |
3222 |
3099 |
0.962 |
292 |
3007 |
|
|
2 |
A' |
3216 |
3081 |
0.958 |
292 |
3008 |
|
|
3 |
A' |
3207 |
3081 |
0.961 |
292 |
3009 |
|
|
4 |
A' |
3195 |
3043 |
0.952 |
292 |
3010 |
|
|
5 |
A' |
3183 |
3034 |
0.953 |
292 |
3011 |
|
|
6 |
A' |
2910 |
2806 |
0.964 |
292 |
3012 |
|
|
7 |
A' |
1820 |
1728 |
0.949 |
292 |
3013 |
|
|
8 |
A' |
1676 |
1614 |
0.963 |
292 |
3014 |
|
|
9 |
A' |
1659 |
1603 |
0.966 |
292 |
3015 |
|
|
10 |
A' |
1541 |
1492 |
0.968 |
292 |
3016 |
|
|
11 |
A' |
1504 |
1460 |
0.971 |
292 |
3017 |
|
|
12 |
A' |
1432 |
1387 |
0.968 |
292 |
3018 |
|
|
13 |
A' |
1358 |
1314 |
0.967 |
292 |
3019 |
|
|
14 |
A' |
1341 |
1276 |
0.951 |
292 |
3020 |
|
|
15 |
A' |
1237 |
1202 |
0.972 |
292 |
3021 |
|
|
16 |
A' |
1199 |
1168 |
0.974 |
292 |
3022 |
|
|
17 |
A' |
1190 |
1158 |
0.973 |
292 |
3023 |
|
|
18 |
A' |
1113 |
1074 |
0.965 |
292 |
3024 |
|
|
19 |
A' |
1058 |
1026 |
0.970 |
292 |
3025 |
|
|
20 |
A' |
1029 |
996 |
0.968 |
292 |
3026 |
|
|
21 |
A' |
847 |
825 |
0.974 |
292 |
3027 |
|
|
22 |
A' |
667 |
649 |
0.973 |
292 |
3028 |
|
|
23 |
A' |
635 |
617 |
0.972 |
292 |
3029 |
|
|
24 |
A' |
446 |
437 |
0.979 |
292 |
3030 |
|
|
25 |
A' |
222 |
224 |
1.007 |
292 |
3031 |
|
|
26 |
A" |
1051 |
1003 |
0.954 |
292 |
3032 |
|
|
27 |
A" |
1037 |
996 |
0.960 |
292 |
3033 |
|
|
28 |
A" |
1020 |
978 |
0.959 |
292 |
3034 |
|
|
29 |
A" |
963 |
918 |
0.953 |
292 |
3035 |
|
|
30 |
A" |
884 |
852 |
0.964 |
292 |
3036 |
|
|
31 |
A" |
775 |
740 |
0.955 |
292 |
3037 |
|
|
32 |
A" |
713 |
688 |
0.965 |
292 |
3038 |
|
|
33 |
A" |
468 |
450 |
0.961 |
292 |
3039 |
|
|
34 |
A" |
418 |
400 |
0.957 |
292 |
3040 |
|
|
35 |
A" |
234 |
217 |
0.926 |
292 |
3041 |
|
|
36 |
A" |
114 |
111 |
0.970 |
292 |
3042 |
C5H10 |
2-Butene, 2-methyl- |
1 |
A' |
3162 |
3024 |
0.956 |
293 |
3043 |
|
|
2 |
A' |
3152 |
2972 |
0.943 |
293 |
3044 |
|
|
3 |
A' |
3137 |
2972 |
0.947 |
293 |
3045 |
|
|
4 |
A' |
3133 |
2972 |
0.949 |
293 |
3046 |
|
|
5 |
A' |
3049 |
2931 |
0.961 |
293 |
3047 |
|
|
6 |
A' |
3043 |
2908 |
0.956 |
293 |
3048 |
|
|
7 |
A' |
3030 |
2908 |
0.960 |
293 |
3049 |
|
|
8 |
A' |
1774 |
1681 |
0.948 |
293 |
3050 |
|
|
9 |
A' |
1508 |
1471 |
0.975 |
293 |
3051 |
|
|
10 |
A' |
1503 |
1453 |
0.967 |
293 |
3052 |
|
|
11 |
A' |
1487 |
1453 |
0.977 |
293 |
3053 |
|
|
25 |
A" |
3098 |
2972 |
0.959 |
293 |
3054 |
|
|
26 |
A" |
3092 |
2972 |
0.961 |
293 |
3055 |
|
|
27 |
A" |
3082 |
2972 |
0.964 |
293 |
3056 |
|
|
28 |
A" |
1491 |
1471 |
0.986 |
293 |
3057 |
|
|
29 |
A" |
1481 |
1471 |
0.993 |
293 |
3058 |
|
|
30 |
A" |
1470 |
1453 |
0.988 |
293 |
3059 |
C2H5SC2H5 |
Diethyl sulfide |
1 |
A1 |
3133 |
2967 |
0.947 |
294 |
3060 |
|
|
2 |
A1 |
3059 |
2874 |
0.940 |
294 |
3061 |
|
|
3 |
A1 |
3056 |
2853 |
0.933 |
294 |
3062 |
|
|
4 |
A1 |
1496 |
1450 |
0.969 |
294 |
3063 |
|
|
5 |
A1 |
1485 |
1427 |
0.961 |
294 |
3064 |
|
|
6 |
A1 |
1419 |
1380 |
0.973 |
294 |
3065 |
|
|
7 |
A1 |
1320 |
1270 |
0.962 |
294 |
3066 |
|
|
8 |
A1 |
1106 |
1047 |
0.947 |
294 |
3067 |
|
|
9 |
A1 |
1010 |
974 |
0.965 |
294 |
3068 |
|
|
10 |
A1 |
709 |
657 |
0.926 |
294 |
3069 |
|
|
11 |
A1 |
335 |
334 |
0.997 |
294 |
3070 |
|
|
12 |
A1 |
136 |
|
|
294 |
3071 |
|
|
13 |
A2 |
3138 |
2967 |
0.945 |
294 |
3072 |
|
|
14 |
A2 |
3104 |
2930 |
0.944 |
294 |
3073 |
|
|
15 |
A2 |
1500 |
|
|
294 |
3074 |
|
|
16 |
A2 |
1270 |
|
|
294 |
3075 |
|
|
17 |
A2 |
1035 |
|
|
294 |
3076 |
|
|
18 |
A2 |
776 |
|
|
294 |
3077 |
|
|
19 |
A2 |
220 |
|
|
294 |
3078 |
|
|
20 |
A2 |
55i |
|
|
294 |
3079 |
|
|
21 |
B1 |
3137 |
2967 |
0.946 |
294 |
3080 |
|
|
22 |
B1 |
3098 |
2930 |
0.946 |
294 |
3081 |
|
|
23 |
B1 |
1499 |
1450 |
0.967 |
294 |
3082 |
|
|
24 |
B1 |
1276 |
1242 |
0.973 |
294 |
3083 |
|
|
25 |
B1 |
1055 |
|
|
294 |
3084 |
|
|
26 |
B1 |
797 |
780 |
0.979 |
294 |
3085 |
|
|
27 |
B1 |
211 |
|
|
294 |
3086 |
|
|
28 |
B1 |
52 |
|
|
294 |
3087 |
|
|
29 |
B2 |
3134 |
2967 |
0.947 |
294 |
3088 |
|
|
30 |
B2 |
3059 |
2874 |
0.940 |
294 |
3089 |
|
|
31 |
B2 |
3058 |
2853 |
0.933 |
294 |
3090 |
|
|
32 |
B2 |
1496 |
1450 |
0.969 |
294 |
3091 |
|
|
33 |
B2 |
1479 |
1427 |
0.965 |
294 |
3092 |
|
|
34 |
B2 |
1417 |
1380 |
0.974 |
294 |
3093 |
|
|
35 |
B2 |
1286 |
1259 |
0.979 |
294 |
3094 |
|
|
36 |
B2 |
1058 |
1017 |
0.962 |
294 |
3095 |
|
|
37 |
B2 |
1005 |
974 |
0.969 |
294 |
3096 |
|
|
38 |
B2 |
710 |
693 |
0.976 |
294 |
3097 |
|
|
39 |
B2 |
337 |
345 |
1.023 |
294 |
3098 |
CH3C(SCH3)HCH3 |
Propane, 2-(methylthio)- |
1 |
A |
3161 |
2971 |
0.940 |
295 |
3099 |
|
|
2 |
A |
3144 |
2971 |
0.945 |
295 |
3100 |
|
|
3 |
A |
3136 |
2971 |
0.948 |
295 |
3101 |
|
|
4 |
A |
3133 |
2971 |
0.948 |
295 |
3102 |
|
|
5 |
A |
3123 |
2971 |
0.951 |
295 |
3103 |
|
|
6 |
A |
3116 |
2971 |
0.953 |
295 |
3104 |
|
|
7 |
A |
3063 |
2918 |
0.953 |
295 |
3105 |
|
|
8 |
A |
3059 |
2899 |
0.948 |
295 |
3106 |
|
|
9 |
A |
3051 |
2867 |
0.940 |
295 |
3107 |
|
|
10 |
A |
3048 |
2867 |
0.941 |
295 |
3108 |
|
|
11 |
A |
1524 |
1448 |
0.950 |
295 |
3109 |
|
|
12 |
A |
1513 |
1448 |
0.957 |
295 |
3110 |
|
|
13 |
A |
1505 |
1448 |
0.962 |
295 |
3111 |
|
|
14 |
A |
1499 |
1448 |
0.966 |
295 |
3112 |
|
|
15 |
A |
1495 |
1448 |
0.968 |
295 |
3113 |
|
|
16 |
A |
1477 |
1448 |
0.981 |
295 |
3114 |
|
|
17 |
A |
1435 |
1386 |
0.966 |
295 |
3115 |
|
|
18 |
A |
1415 |
1364 |
0.964 |
295 |
3116 |
|
|
19 |
A |
1367 |
1339 |
0.980 |
295 |
3117 |
|
|
20 |
A |
1361 |
1315 |
0.966 |
295 |
3118 |
|
|
21 |
A |
1303 |
1244 |
0.955 |
295 |
3119 |
|
|
22 |
A |
1197 |
1154 |
0.964 |
295 |
3120 |
|
|
23 |
A |
1147 |
1110 |
0.967 |
295 |
3121 |
|
|
24 |
A |
1096 |
1058 |
0.965 |
295 |
3122 |
|
|
25 |
A |
989 |
|
|
295 |
3123 |
|
|
26 |
A |
981 |
954 |
0.972 |
295 |
3124 |
|
|
27 |
A |
977 |
|
|
295 |
3125 |
|
|
28 |
A |
952 |
924 |
0.971 |
295 |
3126 |
|
|
29 |
A |
904 |
882 |
0.976 |
295 |
3127 |
|
|
30 |
A |
743 |
724 |
0.975 |
295 |
3128 |
|
|
31 |
A |
654 |
632 |
0.966 |
295 |
3129 |
|
|
32 |
A |
431 |
427 |
0.990 |
295 |
3130 |
|
|
33 |
A |
356 |
336 |
0.943 |
295 |
3131 |
|
|
34 |
A |
340 |
|
|
295 |
3132 |
|
|
35 |
A |
293 |
|
|
295 |
3133 |
|
|
36 |
A |
264 |
|
|
295 |
3134 |
|
|
37 |
A |
232 |
215 |
0.928 |
295 |
3135 |
|
|
38 |
A |
184 |
|
|
295 |
3136 |
|
|
39 |
A |
82 |
|
|
295 |
3137 |
C6H10 |
2-Hexyne |
1 |
A' |
3129 |
2972 |
0.950 |
296 |
3138 |
|
|
2 |
A' |
3127 |
2955 |
0.945 |
296 |
3139 |
|
|
3 |
A' |
3063 |
2931 |
0.957 |
296 |
3140 |
|
|
4 |
A' |
3058 |
2919 |
0.955 |
296 |
3141 |
|
|
5 |
A' |
3045 |
2903 |
0.953 |
296 |
3142 |
|
|
6 |
A' |
3042 |
2880 |
0.947 |
296 |
3143 |
|
|
7 |
A' |
2390 |
2188 |
0.915 |
296 |
3144 |
|
|
8 |
A' |
1505 |
1462 |
0.971 |
296 |
3145 |
|
|
9 |
A' |
1490 |
1447 |
0.971 |
296 |
3146 |
|
|
10 |
A' |
1477 |
1435 |
0.971 |
296 |
3147 |
|
|
11 |
A' |
1471 |
1450 |
0.986 |
296 |
3148 |
|
|
12 |
A' |
1424 |
1390 |
0.976 |
296 |
3149 |
|
|
13 |
A' |
1409 |
1382 |
0.981 |
296 |
3150 |
|
|
14 |
A' |
1396 |
1348 |
0.965 |
296 |
3151 |
|
|
15 |
A' |
1316 |
1282 |
0.974 |
296 |
3152 |
|
|
16 |
A' |
1171 |
1135 |
0.969 |
296 |
3153 |
|
|
17 |
A' |
1126 |
1097 |
0.975 |
296 |
3154 |
|
|
18 |
A' |
1058 |
1036 |
0.979 |
296 |
3155 |
|
|
19 |
A' |
1054 |
1032 |
0.979 |
296 |
3156 |
|
|
20 |
A' |
912 |
893 |
0.980 |
296 |
3157 |
|
|
21 |
A' |
774 |
739 |
0.955 |
296 |
3158 |
|
|
22 |
A' |
507 |
478 |
0.943 |
296 |
3159 |
|
|
23 |
A' |
347 |
359 |
1.035 |
296 |
3160 |
|
|
24 |
A' |
280 |
272 |
0.970 |
296 |
3161 |
|
|
25 |
A' |
96 |
115 |
1.195 |
296 |
3162 |
|
|
26 |
A" |
3128 |
2972 |
0.950 |
296 |
3163 |
|
|
27 |
A" |
3119 |
2995 |
0.960 |
296 |
3164 |
|
|
28 |
A" |
3096 |
2942 |
0.950 |
296 |
3165 |
|
|
29 |
A" |
3073 |
2937 |
0.956 |
296 |
3166 |
|
|
30 |
A" |
1503 |
1453 |
0.967 |
296 |
3167 |
|
|
31 |
A" |
1481 |
1450 |
0.979 |
296 |
3168 |
|
|
32 |
A" |
1333 |
1394 |
1.046 |
296 |
3169 |
|
|
33 |
A" |
1263 |
1231 |
0.975 |
296 |
3170 |
|
|
34 |
A" |
1124 |
1091 |
0.971 |
296 |
3171 |
|
|
35 |
A" |
1045 |
1032 |
0.988 |
296 |
3172 |
|
|
36 |
A" |
874 |
866 |
0.991 |
296 |
3173 |
|
|
37 |
A" |
732 |
740 |
1.010 |
296 |
3174 |
|
|
38 |
A" |
403 |
392 |
0.973 |
296 |
3175 |
|
|
39 |
A" |
223 |
238 |
1.068 |
296 |
3176 |
|
|
40 |
A" |
198 |
220 |
1.110 |
296 |
3177 |
|
|
41 |
A" |
6 |
88 |
14.688 |
296 |
3178 |
|
|
42 |
A" |
144i |
|
|
296 |
3179 |
C8H8 |
cubane |
1 |
A1g |
3160 |
2995 |
0.948 |
297 |
3180 |
|
|
2 |
A1g |
1043 |
1002 |
0.960 |
297 |
3181 |
|
|
3 |
A2u |
3125 |
2978 |
0.953 |
297 |
3182 |
|
|
4 |
A2u |
1052 |
839 |
0.798 |
297 |
3183 |
|
|
5 |
Eg |
1142 |
1083 |
0.948 |
297 |
3184 |
|
|
6 |
Eg |
932 |
912 |
0.979 |
297 |
3185 |
|
|
7 |
Eu |
1191 |
1151 |
0.967 |
297 |
3186 |
|
|
8 |
Eu |
630 |
617 |
0.980 |
297 |
3187 |
|
|
9 |
T1g |
1178 |
1130 |
0.960 |
297 |
3188 |
|
|
10 |
T1u |
3141 |
2978 |
0.948 |
297 |
3189 |
|
|
11 |
T1u |
1289 |
1230 |
0.954 |
297 |
3190 |
|
|
12 |
T1u |
888 |
853 |
0.961 |
297 |
3191 |
|
|
13 |
T2g |
3134 |
2970 |
0.948 |
297 |
3192 |
|
|
14 |
T2g |
1246 |
1182 |
0.949 |
297 |
3193 |
|
|
15 |
T2g |
861 |
821 |
0.954 |
297 |
3194 |
|
|
16 |
T2g |
679 |
665 |
0.979 |
297 |
3195 |
|
|
17 |
T2u |
1099 |
1036 |
0.943 |
297 |
3196 |
|
|
18 |
T2u |
858 |
829 |
0.966 |
297 |
3197 |
C5H10S |
2H-Thiopyran, tetrahydro- |
1 |
A' |
3129 |
2948 |
0.942 |
298 |
3198 |
|
|
2 |
A' |
3099 |
2929 |
0.945 |
298 |
3199 |
|
|
3 |
A' |
3092 |
2929 |
0.947 |
298 |
3200 |
|
|
4 |
A' |
3056 |
2904 |
0.950 |
298 |
3201 |
|
|
5 |
A' |
3049 |
2878 |
0.944 |
298 |
3202 |
|
|
6 |
A' |
3026 |
2849 |
0.941 |
298 |
3203 |
|
|
7 |
A' |
1496 |
1451 |
0.970 |
298 |
3204 |
|
|
8 |
A' |
1487 |
1440 |
0.969 |
298 |
3205 |
|
|
9 |
A' |
1471 |
1426 |
0.969 |
298 |
3206 |
|
|
10 |
A' |
1390 |
1348 |
0.969 |
298 |
3207 |
|
|
11 |
A' |
1343 |
1299 |
0.967 |
298 |
3208 |
|
|
12 |
A' |
1276 |
1237 |
0.970 |
298 |
3209 |
|
|
13 |
A' |
1246 |
1215 |
0.975 |
298 |
3210 |
|
|
14 |
A' |
1084 |
1061 |
0.979 |
298 |
3211 |
|
|
15 |
A' |
1039 |
965 |
0.929 |
298 |
3212 |
|
|
16 |
A' |
986 |
897 |
0.909 |
298 |
3213 |
|
|
17 |
A' |
836 |
826 |
0.988 |
298 |
3214 |
|
|
18 |
A' |
827 |
813 |
0.983 |
298 |
3215 |
|
|
19 |
A' |
668 |
656 |
0.982 |
298 |
3216 |
|
|
20 |
A' |
502 |
504 |
1.003 |
298 |
3217 |
|
|
21 |
A' |
358 |
359 |
1.003 |
298 |
3218 |
|
|
22 |
A' |
346 |
344 |
0.993 |
298 |
3219 |
|
|
23 |
A' |
169 |
194 |
1.146 |
298 |
3220 |
|
|
24 |
A" |
3129 |
2948 |
0.942 |
298 |
3221 |
|
|
25 |
A" |
3092 |
2929 |
0.947 |
298 |
3222 |
|
|
26 |
A" |
3058 |
2892 |
0.946 |
298 |
3223 |
|
|
27 |
A" |
3049 |
2878 |
0.944 |
298 |
3224 |
|
|
28 |
A" |
1481 |
1433 |
0.968 |
298 |
3225 |
|
|
29 |
A" |
1469 |
1405 |
0.957 |
298 |
3226 |
|
|
30 |
A" |
1389 |
1338 |
0.963 |
298 |
3227 |
|
|
31 |
A" |
1375 |
1313 |
0.955 |
298 |
3228 |
|
|
32 |
A" |
1308 |
1269 |
0.970 |
298 |
3229 |
|
|
33 |
A" |
1292 |
1259 |
0.974 |
298 |
3230 |
|
|
34 |
A" |
1174 |
1141 |
0.972 |
298 |
3231 |
|
|
35 |
A" |
1111 |
1090 |
0.981 |
298 |
3232 |
|
|
36 |
A" |
1097 |
1013 |
0.924 |
298 |
3233 |
|
|
37 |
A" |
949 |
929 |
0.979 |
298 |
3234 |
|
|
38 |
A" |
918 |
905 |
0.986 |
298 |
3235 |
|
|
39 |
A" |
801 |
791 |
0.987 |
298 |
3236 |
|
|
40 |
A" |
700 |
688 |
0.983 |
298 |
3237 |
|
|
41 |
A" |
405 |
398 |
0.983 |
298 |
3238 |
|
|
42 |
A" |
228 |
242 |
1.060 |
298 |
3239 |
C5H12 |
Pentane |
1 |
A1 |
3116 |
2973 |
0.954 |
299 |
3240 |
|
|
2 |
A1 |
3040 |
2892 |
0.951 |
299 |
3241 |
|
|
3 |
A1 |
3039 |
2866 |
0.943 |
299 |
3242 |
|
|
4 |
A1 |
3020 |
2866 |
0.949 |
299 |
3243 |
|
|
5 |
A1 |
1508 |
1480 |
0.982 |
299 |
3244 |
|
|
6 |
A1 |
1492 |
1463 |
0.981 |
299 |
3245 |
|
|
7 |
A1 |
1484 |
1450 |
0.977 |
299 |
3246 |
|
|
8 |
A1 |
1422 |
1379 |
0.970 |
299 |
3247 |
|
|
9 |
A1 |
1384 |
1346 |
0.973 |
299 |
3248 |
|
|
10 |
A1 |
1175 |
1144 |
0.974 |
299 |
3249 |
|
|
11 |
A1 |
1063 |
1036 |
0.975 |
299 |
3250 |
|
|
12 |
A1 |
883 |
867 |
0.981 |
299 |
3251 |
|
|
13 |
A1 |
407 |
401 |
0.986 |
299 |
3252 |
|
|
14 |
A1 |
188 |
179 |
0.953 |
299 |
3253 |
|
|
15 |
A2 |
3109 |
2967 |
0.954 |
299 |
3254 |
|
|
16 |
A2 |
3066 |
2908 |
0.949 |
299 |
3255 |
|
|
17 |
A2 |
1507 |
1462 |
0.970 |
299 |
3256 |
|
|
18 |
A2 |
1349 |
1346 |
0.998 |
299 |
3257 |
|
|
19 |
A2 |
1279 |
1269 |
0.992 |
299 |
3258 |
|
|
20 |
A2 |
1011 |
993 |
0.982 |
299 |
3259 |
|
|
21 |
A2 |
766 |
766 |
1.001 |
299 |
3260 |
|
|
22 |
A2 |
250 |
210 |
0.840 |
299 |
3261 |
|
|
23 |
A2 |
79 |
131 |
1.654 |
299 |
3262 |
|
|
24 |
B1 |
3111 |
2965 |
0.953 |
299 |
3263 |
|
|
25 |
B1 |
3080 |
2930 |
0.951 |
299 |
3264 |
|
|
26 |
B1 |
3046 |
2930 |
0.962 |
299 |
3265 |
|
|
27 |
B1 |
1506 |
1469 |
0.975 |
299 |
3266 |
|
|
28 |
B1 |
1342 |
1303 |
0.971 |
299 |
3267 |
|
|
29 |
B1 |
1212 |
1170 |
0.965 |
299 |
3268 |
|
|
30 |
B1 |
878 |
858 |
0.977 |
299 |
3269 |
|
|
31 |
B1 |
722 |
727 |
1.006 |
299 |
3270 |
|
|
32 |
B1 |
229 |
215 |
0.937 |
299 |
3271 |
|
|
33 |
B1 |
133 |
88 |
0.664 |
299 |
3272 |
|
|
34 |
B2 |
3115 |
2965 |
0.952 |
299 |
3273 |
|
|
35 |
B2 |
3039 |
2879 |
0.947 |
299 |
3274 |
|
|
36 |
B2 |
3033 |
2866 |
0.945 |
299 |
3275 |
|
|
37 |
B2 |
1500 |
1476 |
0.984 |
299 |
3276 |
|
|
38 |
B2 |
1485 |
1456 |
0.980 |
299 |
3277 |
|
|
39 |
B2 |
1426 |
1389 |
0.974 |
299 |
3278 |
|
|
40 |
B2 |
1417 |
1379 |
0.973 |
299 |
3279 |
|
|
41 |
B2 |
1308 |
1269 |
0.970 |
299 |
3280 |
|
|
42 |
B2 |
1095 |
1073 |
0.980 |
299 |
3281 |
|
|
43 |
B2 |
1052 |
1024 |
0.973 |
299 |
3282 |
|
|
44 |
B2 |
939 |
910 |
0.970 |
299 |
3283 |
|
|
45 |
B2 |
408 |
406 |
0.996 |
299 |
3284 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3040 |
2909 |
0.957 |
300 |
3285 |
|
|
2 |
A1 |
1459 |
1381 |
0.946 |
300 |
3286 |
|
|
3 |
A1 |
745 |
733 |
0.984 |
300 |
3287 |
|
|
4 |
A2 |
307 |
198 |
0.646 |
300 |
3288 |
|
|
5 |
E |
3108 |
2955 |
0.951 |
300 |
3289 |
|
|
6 |
E |
1509 |
1451 |
0.962 |
300 |
3290 |
|
|
7 |
E |
1115 |
999 |
0.896 |
300 |
3291 |
|
|
8 |
E |
354 |
335 |
0.947 |
300 |
3292 |
|
|
9 |
T1 |
3106 |
2975 |
0.958 |
300 |
3293 |
|
|
10 |
T1 |
1502 |
1461 |
0.972 |
300 |
3294 |
|
|
11 |
T1 |
995 |
932 |
0.937 |
300 |
3295 |
|
|
12 |
T1 |
366 |
203 |
0.554 |
300 |
3296 |
|
|
13 |
T2 |
3111 |
2959 |
0.951 |
300 |
3297 |
|
|
14 |
T2 |
3032 |
2876 |
0.948 |
300 |
3298 |
|
|
15 |
T2 |
1539 |
1475 |
0.959 |
300 |
3299 |
|
|
16 |
T2 |
1422 |
1372 |
0.965 |
300 |
3300 |
|
|
17 |
T2 |
1302 |
1256 |
0.964 |
300 |
3301 |
|
|
18 |
T2 |
957 |
925 |
0.966 |
300 |
3302 |
|
|
19 |
T2 |
445 |
418 |
0.938 |
300 |
3303 |
C5H11N |
Piperidine |
1 |
A' |
3582 |
3341 |
0.933 |
301 |
3304 |
|
|
2 |
A' |
3105 |
2947 |
0.949 |
301 |
3305 |
|
|
3 |
A' |
3098 |
2931 |
0.946 |
301 |
3306 |
|
|
4 |
A' |
3092 |
2917 |
0.943 |
301 |
3307 |
|
|
5 |
A' |
3054 |
2892 |
0.947 |
301 |
3308 |
|
|
6 |
A' |
3030 |
2850 |
0.940 |
301 |
3309 |
|
|
7 |
A' |
2925 |
2730 |
0.933 |
301 |
3310 |
|
|
8 |
A' |
1516 |
1476 |
0.974 |
301 |
3311 |
|
|
9 |
A' |
1501 |
1452 |
0.968 |
301 |
3312 |
|
|
10 |
A' |
1491 |
1444 |
0.968 |
301 |
3313 |
|
|
11 |
A' |
1430 |
1386 |
0.970 |
301 |
3314 |
|
|
12 |
A' |
1386 |
1365 |
0.985 |
301 |
3315 |
|
|
13 |
A' |
1325 |
1346 |
1.016 |
301 |
3316 |
|
|
14 |
A' |
1295 |
1266 |
0.978 |
301 |
3317 |
|
|
15 |
A' |
1175 |
1164 |
0.991 |
301 |
3318 |
|
|
16 |
A' |
1074 |
1035 |
0.963 |
301 |
3319 |
|
|
17 |
A' |
1063 |
1006 |
0.946 |
301 |
3320 |
|
|
18 |
A' |
921 |
906 |
0.984 |
301 |
3321 |
|
|
19 |
A' |
880 |
853 |
0.970 |
301 |
3322 |
|
|
20 |
A' |
834 |
822 |
0.986 |
301 |
3323 |
|
|
21 |
A' |
772 |
743 |
0.963 |
301 |
3324 |
|
|
22 |
A' |
550 |
546 |
0.994 |
301 |
3325 |
|
|
23 |
A' |
440 |
432 |
0.981 |
301 |
3326 |
|
|
24 |
A' |
400 |
404 |
1.009 |
301 |
3327 |
|
|
25 |
A' |
248 |
246 |
0.994 |
301 |
3328 |
|
|
26 |
A" |
3101 |
2940 |
0.948 |
301 |
3329 |
|
|
27 |
A" |
3096 |
2902 |
0.937 |
301 |
3330 |
|
|
28 |
A" |
3054 |
2850 |
0.933 |
301 |
3331 |
|
|
29 |
A" |
2923 |
2803 |
0.959 |
301 |
3332 |
|
|
30 |
A" |
1504 |
1468 |
0.976 |
301 |
3333 |
|
|
31 |
A" |
1494 |
1460 |
0.977 |
301 |
3334 |
|
|
32 |
A" |
1481 |
1436 |
0.970 |
301 |
3335 |
|
|
33 |
A" |
1382 |
1332 |
0.964 |
301 |
3336 |
|
|
34 |
A" |
1365 |
1318 |
0.965 |
301 |
3337 |
|
|
35 |
A" |
1357 |
1285 |
0.947 |
301 |
3338 |
|
|
36 |
A" |
1301 |
1258 |
0.967 |
301 |
3339 |
|
|
37 |
A" |
1206 |
1191 |
0.987 |
301 |
3340 |
|
|
38 |
A" |
1175 |
1146 |
0.976 |
301 |
3341 |
|
|
39 |
A" |
1160 |
1115 |
0.962 |
301 |
3342 |
|
|
40 |
A" |
1078 |
1052 |
0.976 |
301 |
3343 |
|
|
41 |
A" |
985 |
964 |
0.978 |
301 |
3344 |
|
|
42 |
A" |
893 |
874 |
0.978 |
301 |
3345 |
|
|
43 |
A" |
825 |
810 |
0.982 |
301 |
3346 |
|
|
44 |
A" |
454 |
445 |
0.979 |
301 |
3347 |
|
|
45 |
A" |
241 |
254 |
1.055 |
301 |
3348 |
C5H12S |
Propane, 2-methyl-2-(methylthio)- |
1 |
A' |
3156 |
2967 |
0.940 |
302 |
3349 |
|
|
2 |
A' |
3135 |
2967 |
0.946 |
302 |
3350 |
|
|
3 |
A' |
3118 |
2967 |
0.952 |
302 |
3351 |
|
|
4 |
A' |
3110 |
2967 |
0.954 |
302 |
3352 |
|
|
5 |
A' |
3067 |
2924 |
0.953 |
302 |
3353 |
|
|
6 |
A' |
3047 |
2875 |
0.944 |
302 |
3354 |
|
|
7 |
A' |
3042 |
2875 |
0.945 |
302 |
3355 |
|
|
8 |
A' |
1522 |
1460 |
0.960 |
302 |
3356 |
|
|
9 |
A' |
1504 |
1460 |
0.971 |
302 |
3357 |
|
|
10 |
A' |
1485 |
1445 |
0.973 |
302 |
3358 |
|
|
11 |
A' |
1478 |
1435 |
0.971 |
302 |
3359 |
|
|
12 |
A' |
1433 |
1391 |
0.971 |
302 |
3360 |
|
|
13 |
A' |
1404 |
1364 |
0.972 |
302 |
3361 |
|
|
14 |
A' |
1351 |
1318 |
0.976 |
302 |
3362 |
|
|
15 |
A' |
1256 |
1210 |
0.964 |
302 |
3363 |
|
|
16 |
A' |
1208 |
1161 |
0.961 |
302 |
3364 |
|
|
17 |
A' |
1052 |
1026 |
0.975 |
302 |
3365 |
|
|
18 |
A' |
969 |
|
|
302 |
3366 |
|
|
19 |
A' |
952 |
932 |
0.979 |
302 |
3367 |
|
|
20 |
A' |
832 |
815 |
0.980 |
302 |
3368 |
|
|
21 |
A' |
742 |
722 |
0.973 |
302 |
3369 |
|
|
22 |
A' |
596 |
588 |
0.987 |
302 |
3370 |
|
|
23 |
A' |
430 |
419 |
0.974 |
302 |
3371 |
|
|
24 |
A' |
369 |
367 |
0.996 |
302 |
3372 |
|
|
25 |
A' |
326 |
322 |
0.988 |
302 |
3373 |
|
|
26 |
A' |
266 |
|
|
302 |
3374 |
|
|
27 |
A' |
235 |
226 |
0.964 |
302 |
3375 |
|
|
28 |
A" |
3152 |
2967 |
0.941 |
302 |
3376 |
|
|
29 |
A" |
3134 |
2967 |
0.947 |
302 |
3377 |
|
|
30 |
A" |
3131 |
2967 |
0.948 |
302 |
3378 |
|
|
31 |
A" |
3106 |
2967 |
0.955 |
302 |
3379 |
|
|
32 |
A" |
3039 |
2875 |
0.946 |
302 |
3380 |
|
|
33 |
A" |
1506 |
1460 |
0.969 |
302 |
3381 |
|
|
34 |
A" |
1491 |
1445 |
0.969 |
302 |
3382 |
|
|
35 |
A" |
1482 |
1445 |
0.975 |
302 |
3383 |
|
|
36 |
A" |
1466 |
1435 |
0.979 |
302 |
3384 |
|
|
37 |
A" |
1405 |
1364 |
0.971 |
302 |
3385 |
|
|
38 |
A" |
1249 |
1181 |
0.945 |
302 |
3386 |
|
|
39 |
A" |
1046 |
1026 |
0.981 |
302 |
3387 |
|
|
40 |
A" |
973 |
|
|
302 |
3388 |
|
|
41 |
A" |
965 |
952 |
0.987 |
302 |
3389 |
|
|
42 |
A" |
940 |
932 |
0.991 |
302 |
3390 |
|
|
43 |
A" |
409 |
403 |
0.986 |
302 |
3391 |
|
|
44 |
A" |
314 |
305 |
0.972 |
302 |
3392 |
|
|
45 |
A" |
257 |
|
|
302 |
3393 |
|
|
46 |
A" |
200 |
|
|
302 |
3394 |
|
|
47 |
A" |
139 |
|
|
302 |
3395 |
|
|
48 |
A" |
61i |
|
|
302 |
3396 |
C6H14 |
Hexane |
1 |
Ag |
3125 |
2966 |
0.949 |
303 |
3397 |
|
|
2 |
Ag |
3049 |
2877 |
0.944 |
303 |
3398 |
|
|
3 |
Ag |
3041 |
2863 |
0.942 |
303 |
3399 |
|
|
4 |
Ag |
3024 |
2852 |
0.943 |
303 |
3400 |
|
|
5 |
Ag |
1515 |
1460 |
0.964 |
303 |
3401 |
|
|
6 |
Ag |
1500 |
1460 |
0.973 |
303 |
3402 |
|
|
7 |
Ag |
1493 |
1440 |
0.965 |
303 |
3403 |
|
|
8 |
Ag |
1420 |
1397 |
0.984 |
303 |
3404 |
|
|
9 |
Ag |
1415 |
1366 |
0.966 |
303 |
3405 |
|
|
10 |
Ag |
1343 |
1305 |
0.971 |
303 |
3406 |
|
|
11 |
Ag |
1170 |
1140 |
0.974 |
303 |
3407 |
|
|
12 |
Ag |
1090 |
1065 |
0.977 |
303 |
3408 |
|
|
13 |
Ag |
1032 |
1007 |
0.976 |
303 |
3409 |
|
|
14 |
Ag |
915 |
901 |
0.985 |
303 |
3410 |
|
|
15 |
Ag |
373 |
371 |
0.995 |
303 |
3411 |
|
|
16 |
Ag |
299 |
305 |
1.020 |
303 |
3412 |
|
|
17 |
Au |
3119 |
2967 |
0.951 |
303 |
3413 |
|
|
18 |
Au |
3087 |
2936 |
0.951 |
303 |
3414 |
|
|
19 |
Au |
3060 |
2920 |
0.954 |
303 |
3415 |
|
|
20 |
Au |
1501 |
1460 |
0.973 |
303 |
3416 |
|
|
21 |
Au |
1341 |
1303 |
0.972 |
303 |
3417 |
|
|
22 |
Au |
1259 |
1222 |
0.971 |
303 |
3418 |
|
|
23 |
Au |
1021 |
1010 |
0.990 |
303 |
3419 |
|
|
24 |
Au |
817 |
824 |
1.008 |
303 |
3420 |
|
|
25 |
Au |
735 |
726 |
0.988 |
303 |
3421 |
|
|
26 |
Au |
239 |
216 |
0.903 |
303 |
3422 |
|
|
27 |
Au |
83 |
94 |
1.131 |
303 |
3423 |
|
|
28 |
Au |
67 |
61 |
0.914 |
303 |
3424 |
|
|
29 |
Bg |
3118 |
2966 |
0.951 |
303 |
3425 |
|
|
30 |
Bg |
3077 |
2908 |
0.945 |
303 |
3426 |
|
|
31 |
Bg |
3047 |
2908 |
0.954 |
303 |
3427 |
|
|
32 |
Bg |
1501 |
1460 |
0.972 |
303 |
3428 |
|
|
33 |
Bg |
1336 |
1305 |
0.977 |
303 |
3429 |
|
|
34 |
Bg |
1314 |
1283 |
0.977 |
303 |
3430 |
|
|
35 |
Bg |
1213 |
1168 |
0.963 |
303 |
3431 |
|
|
36 |
Bg |
916 |
894 |
0.976 |
303 |
3432 |
|
|
37 |
Bg |
751 |
740 |
0.985 |
303 |
3433 |
|
|
38 |
Bg |
227 |
208 |
0.915 |
303 |
3434 |
|
|
39 |
Bg |
149 |
125 |
0.838 |
303 |
3435 |
|
|
40 |
Bu |
3125 |
2967 |
0.949 |
303 |
3436 |
|
|
41 |
Bu |
3049 |
2884 |
0.946 |
303 |
3437 |
|
|
42 |
Bu |
3043 |
2867 |
0.942 |
303 |
3438 |
|
|
43 |
Bu |
3028 |
2851 |
0.942 |
303 |
3439 |
|
|
44 |
Bu |
1519 |
1476 |
0.972 |
303 |
3440 |
|
|
45 |
Bu |
1507 |
1465 |
0.972 |
303 |
3441 |
|
|
46 |
Bu |
1493 |
1452 |
0.972 |
303 |
3442 |
|
|
47 |
Bu |
1419 |
1387 |
0.977 |
303 |
3443 |
|
|
48 |
Bu |
1395 |
1375 |
0.986 |
303 |
3444 |
|
|
49 |
Bu |
1276 |
1249 |
0.979 |
303 |
3445 |
|
|
50 |
Bu |
1090 |
1061 |
0.974 |
303 |
3446 |
|
|
51 |
Bu |
1067 |
1035 |
0.970 |
303 |
3447 |
|
|
52 |
Bu |
902 |
888 |
0.985 |
303 |
3448 |
|
|
53 |
Bu |
473 |
470 |
0.993 |
303 |
3449 |
|
|
54 |
Bu |
130 |
139 |
1.073 |
303 |
3450 |