H2 |
Hydrogen diatomic |
1 |
Σg |
4401 |
4161 |
0.945 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1405 |
1360 |
0.968 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
338 |
346 |
1.024 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1170 |
1133 |
0.969 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
159 |
158 |
0.993 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
2038 |
1987 |
0.975 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1477 |
1432 |
0.970 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2329 |
2269 |
0.974 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1664 |
1625 |
0.977 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2854 |
2733 |
0.958 |
10 |
10 |
|
|
1 |
Σ |
3158 |
|
|
10 |
11 |
C2 |
Carbon diatomic |
1 |
Σg |
1899 |
1827 |
0.962 |
11 |
12 |
SiH |
Silylidyne |
1 |
Σ |
2022 |
1971 |
0.975 |
12 |
13 |
Si2 |
Silicon diatomic |
1 |
Σg |
562 |
507 |
0.902 |
13 |
14 |
NH |
Imidogen |
1 |
Σ |
3301 |
3126 |
0.947 |
14 |
15 |
CN |
Cyano radical |
1 |
Σ |
2185 |
2042 |
0.935 |
15 |
16 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2486 |
2330 |
0.937 |
16 |
17 |
|
|
1 |
Σg |
1879 |
1733 |
0.922 |
16 |
18 |
SiN |
Silicon nitride |
1 |
Σ |
1199 |
1138 |
0.949 |
17 |
19 |
PH |
phosphorus monohydride |
1 |
Σ |
2361 |
2276 |
0.964 |
18 |
20 |
|
|
1 |
Σ |
2359 |
2319 |
0.983 |
18 |
21 |
CP |
Carbon monophosphide |
1 |
Σ |
1306 |
1226 |
0.939 |
19 |
22 |
PN |
Phosphorus mononitride |
1 |
Σ |
1430 |
1323 |
0.925 |
20 |
23 |
P2 |
Phosphorus diatomic |
1 |
Σg |
825 |
775 |
0.940 |
21 |
24 |
OH |
Hydroxyl radical |
1 |
Σ |
3724 |
3570 |
0.959 |
22 |
25 |
LiO |
lithium oxide |
1 |
Σ |
894 |
799 |
0.894 |
23 |
26 |
BeO |
beryllium oxide |
1 |
Σ |
1566 |
1435 |
0.916 |
24 |
27 |
BO |
boron monoxide |
1 |
Σ |
1947 |
1862 |
0.956 |
25 |
28 |
CO |
Carbon monoxide |
1 |
Σ |
2250 |
2143 |
0.953 |
26 |
29 |
|
|
1 |
Σ |
1849 |
|
|
26 |
30 |
NaO |
sodium monoxide |
1 |
Σ |
500 |
|
|
27 |
31 |
MgO |
magnesium oxide |
1 |
Σ |
823 |
775 |
0.942 |
28 |
32 |
SiO |
Silicon monoxide |
1 |
Σ |
1271 |
1230 |
0.967 |
29 |
33 |
HS |
Mercapto radical |
1 |
Σ |
2658 |
2599 |
0.978 |
30 |
34 |
BeS |
beryllium sulfide |
1 |
Σ |
1026 |
986 |
0.961 |
31 |
35 |
BS |
boron sulfide |
1 |
Σ |
1204 |
1167 |
0.969 |
32 |
36 |
CS |
carbon monosulfide |
1 |
Σ |
1330 |
1272 |
0.956 |
33 |
37 |
SO |
Sulfur monoxide |
1 |
Σ |
1154 |
1138 |
0.986 |
34 |
38 |
|
|
1 |
Σ |
1154 |
1054 |
0.914 |
34 |
39 |
MgS |
magnesium sulfide |
1 |
Σ |
540 |
523 |
0.969 |
35 |
40 |
AlS |
Aluminum sulfide |
1 |
Σ |
626 |
610 |
0.976 |
36 |
41 |
SiS |
silicon monosulfide |
1 |
Σ |
758 |
744 |
0.982 |
37 |
42 |
S2 |
Sulfur diatomic |
1 |
Σg |
719 |
720 |
1.001 |
38 |
43 |
HF |
Hydrogen fluoride |
1 |
Σ |
4064 |
3961 |
0.975 |
39 |
44 |
LiF |
lithium fluoride |
1 |
Σ |
958 |
896 |
0.935 |
40 |
45 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1237 |
|
|
41 |
46 |
CF |
Fluoromethylidyne |
1 |
Σ |
1329 |
1286 |
0.967 |
42 |
47 |
NF |
nitrogen fluoride |
1 |
Σ |
1208 |
1123 |
0.930 |
43 |
48 |
F2 |
Fluorine diatomic |
1 |
Σg |
1028 |
894 |
0.869 |
44 |
49 |
NaF |
sodium fluoride |
1 |
Σ |
562 |
529 |
0.941 |
45 |
50 |
MgF |
Magnesium monofluoride |
1 |
Σ |
714 |
|
|
46 |
51 |
AlF |
Aluminum monofluoride |
1 |
Σ |
798 |
793 |
0.994 |
47 |
52 |
SiF |
silicon monofluoride |
1 |
Σ |
842 |
848 |
1.007 |
48 |
53 |
PF |
phosphorus monofluoride |
1 |
Σ |
827 |
838 |
1.013 |
49 |
54 |
SF |
Monosulfur monofluoride |
1 |
Σ |
811 |
829 |
1.022 |
50 |
55 |
HCl |
Hydrogen chloride |
1 |
Σ |
2930 |
2886 |
0.985 |
51 |
56 |
LiCl |
lithium chloride |
1 |
Σ |
640 |
634 |
0.990 |
52 |
57 |
BeCl |
beryllium monochloride |
1 |
Σ |
839 |
847 |
1.009 |
53 |
58 |
BCl |
boron monochloride |
1 |
Σ |
837 |
829 |
0.991 |
54 |
59 |
CCl |
carbon monochloride |
1 |
Σ |
870 |
866 |
0.995 |
55 |
60 |
ClO |
Monochlorine monoxide |
1 |
Σ |
830 |
843 |
1.015 |
56 |
61 |
ClF |
Chlorine monofluoride |
1 |
Σ |
770 |
773 |
1.004 |
57 |
62 |
NaCl |
Sodium Chloride |
1 |
Σ |
355 |
361 |
1.018 |
58 |
63 |
MgCl |
magnesium monochloride |
1 |
Σ |
445 |
|
|
59 |
64 |
AlCl |
Aluminum monochloride |
1 |
Σ |
465 |
478 |
1.028 |
60 |
65 |
SiCl |
Clorosilylidyne |
1 |
Σ |
516 |
531 |
1.030 |
61 |
66 |
PCl |
phosphorus chloride |
1 |
Σ |
533 |
547 |
1.026 |
62 |
67 |
SCl |
sulfur monochloride |
1 |
Σ |
557 |
577 |
1.035 |
63 |
68 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
541 |
554 |
1.024 |
64 |
69 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2250 |
2159 |
0.960 |
65 |
70 |
|
|
3 |
Πu |
741 |
698 |
0.942 |
65 |
71 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1642 |
1572 |
0.957 |
66 |
72 |
|
|
3 |
Πu |
468 |
440 |
0.940 |
66 |
73 |
BH2 |
boron dihydride |
2 |
A1 |
992 |
954 |
0.961 |
67 |
74 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1850 |
1770 |
0.957 |
68 |
75 |
|
|
2 |
A1 |
764 |
760 |
0.994 |
68 |
76 |
|
|
3 |
B2 |
1888 |
1807 |
0.957 |
68 |
77 |
SiH2 |
silicon dihydride |
1 |
A1 |
2056 |
1996 |
0.971 |
69 |
78 |
|
|
2 |
A1 |
1036 |
999 |
0.964 |
69 |
79 |
|
|
3 |
B2 |
2055 |
1993 |
0.970 |
69 |
80 |
NH2 |
Amino radical |
1 |
A1 |
3384 |
3219 |
0.951 |
70 |
81 |
|
|
2 |
A1 |
1601 |
1497 |
0.935 |
70 |
82 |
|
|
3 |
B2 |
3481 |
3301 |
0.948 |
70 |
83 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3477 |
3312 |
0.953 |
71 |
84 |
|
|
2 |
Σ |
2225 |
2089 |
0.939 |
71 |
85 |
|
|
3 |
Π |
772 |
712 |
0.922 |
71 |
86 |
PH2 |
Phosphino radical |
1 |
A1 |
2376 |
2310 |
0.972 |
72 |
87 |
|
|
2 |
A1 |
1154 |
1102 |
0.955 |
72 |
88 |
HCP |
Phosphaethyne |
1 |
Σ |
3376 |
3217 |
0.953 |
73 |
89 |
|
|
2 |
Σ |
1367 |
1278 |
0.935 |
73 |
90 |
|
|
3 |
Π |
722 |
674 |
0.933 |
73 |
91 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2124 |
2095 |
0.986 |
74 |
92 |
|
|
2 |
A' |
1234 |
1188 |
0.962 |
74 |
93 |
|
|
3 |
A' |
1030 |
986 |
0.957 |
74 |
94 |
H2O |
Water |
1 |
A1 |
3835 |
3657 |
0.954 |
75 |
95 |
|
|
2 |
A1 |
1721 |
1595 |
0.927 |
75 |
96 |
|
|
3 |
B2 |
3953 |
3756 |
0.950 |
75 |
97 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1294 |
1246 |
0.963 |
76 |
98 |
HBO |
Boron hydride oxide |
1 |
Σ |
2895 |
2850 |
0.984 |
77 |
99 |
|
|
2 |
Σ |
1883 |
1826 |
0.969 |
77 |
100 |
|
|
3 |
Π |
785 |
756 |
0.963 |
77 |
101 |
HCO |
Formyl radical |
1 |
A' |
2686 |
2434 |
0.906 |
78 |
102 |
|
|
2 |
A' |
1981 |
1868 |
0.943 |
78 |
103 |
|
|
3 |
A' |
1136 |
1081 |
0.951 |
78 |
104 |
HNO |
Nitrosyl hydride |
1 |
A' |
2896 |
2684 |
0.927 |
79 |
105 |
|
|
2 |
A' |
1735 |
1565 |
0.902 |
79 |
106 |
|
|
3 |
A' |
1628 |
1501 |
0.922 |
79 |
107 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3632 |
3436 |
0.946 |
80 |
108 |
|
|
2 |
A' |
1512 |
1392 |
0.920 |
80 |
109 |
|
|
3 |
A' |
1225 |
1098 |
0.896 |
80 |
110 |
CO2 |
Carbon dioxide |
1 |
Σg |
1401 |
1333 |
0.952 |
81 |
111 |
|
|
2 |
Σu |
2483 |
2349 |
0.946 |
81 |
112 |
|
|
3 |
Πu |
678 |
667 |
0.984 |
81 |
113 |
N2O |
Nitrous oxide |
1 |
Σ |
2419 |
2224 |
0.919 |
82 |
114 |
|
|
2 |
Σ |
1381 |
1285 |
0.930 |
82 |
115 |
|
|
3 |
Π |
626 |
589 |
0.941 |
82 |
116 |
NaOH |
sodium hydroxide |
1 |
Σ |
3959 |
3637 |
0.919 |
83 |
117 |
|
|
2 |
Σ |
597 |
540 |
0.905 |
83 |
118 |
|
|
3 |
Π |
98 |
300 |
3.046 |
83 |
119 |
SiO2 |
silicon dioxide |
2 |
Σu |
1486 |
1416 |
0.953 |
84 |
120 |
|
|
3 |
Πu |
305 |
273 |
0.895 |
84 |
121 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2679 |
2615 |
0.976 |
85 |
122 |
|
|
2 |
A1 |
1252 |
1183 |
0.945 |
85 |
123 |
|
|
3 |
B2 |
2696 |
2626 |
0.974 |
85 |
124 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2828 |
2736 |
0.967 |
86 |
125 |
|
|
2 |
Σ |
1202 |
1172 |
0.975 |
86 |
126 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2170 |
2062 |
0.950 |
87 |
127 |
|
|
2 |
Σ |
897 |
859 |
0.958 |
87 |
128 |
|
|
3 |
Π |
526 |
520 |
0.988 |
87 |
129 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1181 |
1151 |
0.975 |
88 |
130 |
|
|
2 |
A1 |
521 |
518 |
0.993 |
88 |
131 |
|
|
3 |
B2 |
1373 |
1362 |
0.992 |
88 |
132 |
CS2 |
Carbon disulfide |
1 |
Σg |
692 |
658 |
0.951 |
89 |
133 |
|
|
2 |
Σu |
1597 |
1535 |
0.961 |
89 |
134 |
|
|
3 |
Πu |
397 |
397 |
0.999 |
89 |
135 |
SSO |
Disulfur monoxide |
1 |
A' |
1191 |
1166 |
0.980 |
90 |
136 |
|
|
2 |
A' |
689 |
679 |
0.986 |
90 |
137 |
|
|
3 |
A' |
389 |
380 |
0.977 |
90 |
138 |
HCF |
Fluoromethylene |
1 |
A' |
2800 |
2643 |
0.944 |
91 |
139 |
|
|
2 |
A' |
1483 |
1403 |
0.946 |
91 |
140 |
|
|
3 |
A' |
1242 |
1189 |
0.958 |
91 |
141 |
HOF |
Hypofluorous acid |
1 |
A' |
3770 |
3578 |
0.949 |
92 |
142 |
|
|
2 |
A' |
1470 |
1362 |
0.927 |
92 |
143 |
|
|
3 |
A' |
1006 |
893 |
0.888 |
92 |
144 |
CF2 |
Difluoromethylene |
1 |
A1 |
1263 |
1225 |
0.970 |
93 |
145 |
|
|
2 |
A1 |
683 |
667 |
0.976 |
93 |
146 |
|
|
3 |
B2 |
1153 |
1114 |
0.967 |
93 |
147 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1981 |
1844 |
0.931 |
94 |
148 |
|
|
2 |
A' |
832 |
766 |
0.921 |
94 |
149 |
|
|
3 |
A' |
555 |
520 |
0.937 |
94 |
150 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1144 |
1075 |
0.939 |
95 |
151 |
|
|
2 |
A1 |
597 |
573 |
0.959 |
95 |
152 |
|
|
3 |
B2 |
996 |
942 |
0.946 |
95 |
153 |
F2O |
Difluorine monoxide |
1 |
A1 |
1036 |
928 |
0.896 |
96 |
154 |
|
|
2 |
A1 |
501 |
461 |
0.920 |
96 |
155 |
|
|
3 |
B2 |
909 |
831 |
0.915 |
96 |
156 |
HOCl |
hypochlorous acid |
1 |
A' |
3797 |
3609 |
0.951 |
97 |
157 |
|
|
2 |
A' |
1320 |
1239 |
0.938 |
97 |
158 |
|
|
3 |
A' |
738 |
724 |
0.981 |
97 |
159 |
ClCN |
chlorocyanogen |
1 |
Σ |
2351 |
2216 |
0.943 |
98 |
160 |
|
|
2 |
Σ |
764 |
744 |
0.974 |
98 |
161 |
|
|
3 |
Π |
404 |
378 |
0.935 |
98 |
162 |
ClNO |
Nitrosyl chloride |
1 |
A' |
2002 |
1800 |
0.899 |
99 |
163 |
|
|
2 |
A' |
617 |
596 |
0.965 |
99 |
164 |
|
|
3 |
A' |
332 |
332 |
0.999 |
99 |
165 |
OClO |
Chlorine dioxide |
1 |
A1 |
927 |
946 |
1.020 |
100 |
166 |
|
|
2 |
A1 |
434 |
448 |
1.031 |
100 |
167 |
|
|
3 |
B2 |
1061 |
1110 |
1.046 |
100 |
168 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
655 |
639 |
0.976 |
101 |
169 |
|
|
2 |
A1 |
299 |
296 |
0.990 |
101 |
170 |
|
|
3 |
B2 |
667 |
686 |
1.029 |
101 |
171 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
509 |
522 |
1.024 |
102 |
172 |
|
|
2 |
A1 |
203 |
201 |
0.989 |
102 |
173 |
|
|
3 |
B2 |
499 |
509 |
1.020 |
102 |
174 |
ClS2 |
Sulfur chloride |
1 |
A' |
649 |
662 |
1.021 |
103 |
175 |
|
|
2 |
A' |
415 |
450 |
1.085 |
103 |
176 |
|
|
3 |
A' |
213 |
196 |
0.920 |
103 |
177 |
BH3 |
boron trihydride |
2 |
A2" |
1142 |
1148 |
1.005 |
104 |
178 |
|
|
3 |
E' |
2688 |
2602 |
0.968 |
104 |
179 |
|
|
4 |
E' |
1192 |
1197 |
1.004 |
104 |
180 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1952 |
1900 |
0.974 |
105 |
181 |
|
|
2 |
A2" |
708 |
698 |
0.985 |
105 |
182 |
|
|
3 |
E' |
1960 |
1883 |
0.961 |
105 |
183 |
|
|
4 |
E' |
791 |
783 |
0.991 |
105 |
184 |
C2H2 |
Acetylene |
1 |
Σg |
3540 |
3374 |
0.953 |
106 |
185 |
|
|
2 |
Σg |
2084 |
1974 |
0.947 |
106 |
186 |
|
|
3 |
Σu |
3435 |
3289 |
0.957 |
106 |
187 |
|
|
4 |
Πg |
592 |
612 |
1.034 |
106 |
188 |
|
|
5 |
Πu |
767 |
730 |
0.952 |
106 |
189 |
SiH3 |
Silyl radical |
1 |
A1 |
2213 |
2136 |
0.965 |
107 |
190 |
|
|
2 |
A1 |
754 |
728 |
0.965 |
107 |
191 |
|
|
3 |
E |
2248 |
2185 |
0.972 |
107 |
192 |
|
|
4 |
E |
935 |
922 |
0.986 |
107 |
193 |
NH3 |
Ammonia |
1 |
A1 |
3512 |
3337 |
0.950 |
108 |
194 |
|
|
2 |
A1 |
1131 |
950 |
0.840 |
108 |
195 |
|
|
3 |
E |
3641 |
3444 |
0.946 |
108 |
196 |
|
|
4 |
E |
1760 |
1627 |
0.924 |
108 |
197 |
C2N2 |
Cyanogen |
1 |
Σg |
2478 |
2330 |
0.940 |
109 |
198 |
|
|
2 |
Σg |
897 |
846 |
0.943 |
109 |
199 |
|
|
3 |
Σu |
2295 |
2158 |
0.940 |
109 |
200 |
|
|
4 |
Πg |
577 |
503 |
0.871 |
109 |
201 |
|
|
5 |
Πu |
261 |
234 |
0.898 |
109 |
202 |
PH3 |
Phosphine |
1 |
A1 |
2406 |
2323 |
0.966 |
110 |
203 |
|
|
2 |
A1 |
1047 |
992 |
0.947 |
110 |
204 |
|
|
3 |
E |
2416 |
2328 |
0.964 |
110 |
205 |
|
|
4 |
E |
1171 |
1118 |
0.955 |
110 |
206 |
P4 |
Phosphorus tetramer |
1 |
A1 |
632 |
601 |
0.950 |
111 |
207 |
|
|
2 |
E |
384 |
361 |
0.940 |
111 |
208 |
|
|
3 |
T2 |
483 |
467 |
0.966 |
111 |
209 |
H2CO |
Formaldehyde |
1 |
A1 |
2916 |
2782 |
0.954 |
112 |
210 |
|
|
2 |
A1 |
1869 |
1746 |
0.934 |
112 |
211 |
|
|
3 |
A1 |
1558 |
1500 |
0.963 |
112 |
212 |
|
|
4 |
B1 |
1203 |
1167 |
0.970 |
112 |
213 |
|
|
5 |
B2 |
2973 |
2843 |
0.956 |
112 |
214 |
|
|
6 |
B2 |
1289 |
1249 |
0.969 |
112 |
215 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3806 |
3599 |
0.946 |
113 |
216 |
|
|
2 |
A |
1529 |
1402 |
0.917 |
113 |
217 |
|
|
3 |
A |
1001 |
877 |
0.876 |
113 |
218 |
|
|
4 |
A |
362 |
371 |
1.025 |
113 |
219 |
|
|
5 |
B |
3809 |
3608 |
0.947 |
113 |
220 |
|
|
6 |
B |
1367 |
1266 |
0.926 |
113 |
221 |
HNCO |
Isocyanic acid |
1 |
A' |
3748 |
3538 |
0.944 |
114 |
222 |
|
|
2 |
A' |
2398 |
2269 |
0.946 |
114 |
223 |
|
|
3 |
A' |
1362 |
1327 |
0.974 |
114 |
224 |
|
|
4 |
A' |
790 |
777 |
0.983 |
114 |
225 |
|
|
5 |
A' |
578 |
577 |
0.998 |
114 |
226 |
|
|
6 |
A" |
647 |
656 |
1.014 |
114 |
227 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2162 |
2060 |
0.953 |
115 |
228 |
|
|
2 |
Σg |
620 |
585 |
0.943 |
115 |
229 |
|
|
3 |
Σu |
1984 |
1898 |
0.957 |
115 |
230 |
|
|
4 |
Πg |
511 |
410 |
0.802 |
115 |
231 |
|
|
5 |
Πu |
220 |
213 |
0.968 |
115 |
232 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3093 |
2971 |
0.961 |
116 |
233 |
|
|
2 |
A1 |
1522 |
1456 |
0.956 |
116 |
234 |
|
|
3 |
A1 |
1114 |
1059 |
0.950 |
116 |
235 |
|
|
4 |
B1 |
1038 |
990 |
0.954 |
116 |
236 |
|
|
5 |
B2 |
3182 |
3025 |
0.950 |
116 |
237 |
|
|
6 |
B2 |
1028 |
991 |
0.964 |
116 |
238 |
H2S2 |
Disulfane |
1 |
A |
2625 |
2556 |
0.973 |
117 |
239 |
|
|
2 |
A |
917 |
882 |
0.962 |
117 |
240 |
|
|
3 |
A |
507 |
515 |
1.015 |
117 |
241 |
|
|
4 |
A |
449 |
417 |
0.930 |
117 |
242 |
|
|
5 |
B |
2626 |
2559 |
0.974 |
117 |
243 |
|
|
6 |
B |
916 |
878 |
0.958 |
117 |
244 |
SO3 |
Sulfur trioxide |
1 |
A1' |
1065 |
1065 |
1.000 |
118 |
245 |
|
|
2 |
A2" |
478 |
498 |
1.041 |
118 |
246 |
|
|
3 |
E' |
1395 |
1391 |
0.997 |
118 |
247 |
|
|
4 |
E' |
511 |
530 |
1.037 |
118 |
248 |
BHF2 |
Difluoroborane |
1 |
A1 |
2706 |
2621 |
0.969 |
119 |
249 |
|
|
2 |
A1 |
1160 |
1164 |
1.003 |
119 |
250 |
|
|
3 |
A1 |
540 |
542 |
1.003 |
119 |
251 |
|
|
4 |
B1 |
925 |
924 |
0.998 |
119 |
252 |
|
|
5 |
B2 |
1427 |
1402 |
0.982 |
119 |
253 |
CF2O |
Carbonic difluoride |
1 |
A1 |
2031 |
1928 |
0.950 |
120 |
254 |
|
|
2 |
A1 |
993 |
965 |
0.972 |
120 |
255 |
|
|
3 |
A1 |
591 |
584 |
0.989 |
120 |
256 |
|
|
4 |
B1 |
793 |
774 |
0.977 |
120 |
257 |
|
|
5 |
B2 |
1276 |
1249 |
0.979 |
120 |
258 |
|
|
6 |
B2 |
631 |
626 |
0.992 |
120 |
259 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
885 |
888 |
1.003 |
121 |
260 |
|
|
2 |
A2" |
690 |
691 |
1.002 |
121 |
261 |
|
|
3 |
E' |
1464 |
1449 |
0.990 |
121 |
262 |
|
|
4 |
E' |
477 |
480 |
1.006 |
121 |
263 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1661 |
1523 |
0.917 |
122 |
264 |
|
|
2 |
Ag |
1112 |
1018 |
0.915 |
122 |
265 |
|
|
3 |
Ag |
637 |
603 |
0.946 |
122 |
266 |
|
|
4 |
Au |
382 |
364 |
0.954 |
122 |
267 |
|
|
5 |
Bu |
1062 |
991 |
0.933 |
122 |
268 |
|
|
6 |
Bu |
439 |
423 |
0.964 |
122 |
269 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1107 |
1089 |
0.984 |
123 |
270 |
|
|
2 |
A1 |
707 |
701 |
0.991 |
123 |
271 |
|
|
3 |
E |
1287 |
1260 |
0.979 |
123 |
272 |
|
|
4 |
E |
515 |
509 |
0.988 |
123 |
273 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1088 |
1032 |
0.949 |
124 |
274 |
|
|
2 |
A1 |
678 |
647 |
0.954 |
124 |
275 |
|
|
3 |
E |
951 |
907 |
0.953 |
124 |
276 |
|
|
4 |
E |
511 |
492 |
0.963 |
124 |
277 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
692 |
690 |
0.997 |
125 |
278 |
|
|
2 |
A2" |
290 |
297 |
1.026 |
125 |
279 |
|
|
3 |
E' |
972 |
935 |
0.962 |
125 |
280 |
|
|
4 |
E' |
241 |
263 |
1.089 |
125 |
281 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
881 |
892 |
1.012 |
126 |
282 |
|
|
2 |
A1 |
469 |
487 |
1.039 |
126 |
283 |
|
|
3 |
E |
849 |
860 |
1.013 |
126 |
284 |
|
|
4 |
E |
332 |
344 |
1.038 |
126 |
285 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2704 |
2617 |
0.968 |
127 |
286 |
|
|
2 |
A1 |
744 |
740 |
0.994 |
127 |
287 |
|
|
4 |
B1 |
778 |
784 |
1.008 |
127 |
288 |
|
|
5 |
B2 |
1103 |
1089 |
0.987 |
127 |
289 |
|
|
6 |
B2 |
912 |
892 |
0.978 |
127 |
290 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1403 |
1267 |
0.903 |
128 |
291 |
|
|
2 |
A1 |
831 |
793 |
0.954 |
128 |
292 |
|
|
3 |
A1 |
379 |
364 |
0.960 |
128 |
293 |
|
|
4 |
B1 |
693 |
652 |
0.940 |
128 |
294 |
|
|
5 |
B2 |
1873 |
1684 |
0.899 |
128 |
295 |
|
|
6 |
B2 |
426 |
408 |
0.959 |
128 |
296 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
723 |
752 |
1.040 |
129 |
297 |
|
|
2 |
A1 |
522 |
529 |
1.013 |
129 |
298 |
|
|
3 |
A1 |
306 |
328 |
1.073 |
129 |
299 |
|
|
4 |
B1 |
319 |
328 |
1.030 |
129 |
300 |
|
|
5 |
B2 |
722 |
702 |
0.972 |
129 |
301 |
|
|
6 |
B2 |
403 |
442 |
1.098 |
129 |
302 |
CCl2O |
Phosgene |
1 |
A1 |
1928 |
1827 |
0.948 |
130 |
303 |
|
|
2 |
A1 |
580 |
567 |
0.977 |
130 |
304 |
|
|
3 |
A1 |
311 |
285 |
0.917 |
130 |
305 |
|
|
4 |
B1 |
597 |
580 |
0.971 |
130 |
306 |
|
|
5 |
B2 |
849 |
849 |
0.999 |
130 |
307 |
|
|
6 |
B2 |
453 |
440 |
0.972 |
130 |
308 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
834 |
820 |
0.984 |
131 |
309 |
|
|
2 |
A1 |
512 |
500 |
0.977 |
131 |
310 |
|
|
3 |
A1 |
229 |
250 |
1.094 |
131 |
311 |
|
|
4 |
B1 |
256 |
260 |
1.015 |
131 |
312 |
|
|
5 |
B2 |
962 |
900 |
0.935 |
131 |
313 |
|
|
6 |
B2 |
179 |
200 |
1.116 |
131 |
314 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
481 |
471 |
0.980 |
132 |
315 |
|
|
2 |
A2" |
454 |
460 |
1.013 |
132 |
316 |
|
|
3 |
E' |
971 |
956 |
0.985 |
132 |
317 |
|
|
4 |
E' |
262 |
243 |
0.929 |
132 |
318 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
895 |
850 |
0.950 |
133 |
319 |
|
|
2 |
A1 |
441 |
450 |
1.022 |
133 |
320 |
|
|
3 |
A1 |
150 |
150 |
1.003 |
133 |
321 |
|
|
4 |
B1 |
227 |
220 |
0.970 |
133 |
322 |
|
|
5 |
B2 |
639 |
610 |
0.954 |
133 |
323 |
|
|
6 |
B2 |
194 |
200 |
1.029 |
133 |
324 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
389 |
375 |
0.965 |
134 |
325 |
|
|
2 |
A2" |
198 |
183 |
0.923 |
134 |
326 |
|
|
3 |
E' |
629 |
595 |
0.946 |
134 |
327 |
|
|
4 |
E' |
145 |
150 |
1.036 |
134 |
328 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
500 |
504 |
1.009 |
135 |
329 |
|
|
2 |
A1 |
260 |
252 |
0.969 |
135 |
330 |
|
|
3 |
E |
481 |
482 |
1.002 |
135 |
331 |
|
|
4 |
E |
188 |
198 |
1.051 |
135 |
332 |
CH4 |
Methane |
1 |
A1 |
3054 |
2917 |
0.955 |
136 |
333 |
|
|
2 |
E |
1587 |
1534 |
0.966 |
136 |
334 |
|
|
3 |
T2 |
3174 |
3019 |
0.951 |
136 |
335 |
|
|
4 |
T2 |
1354 |
1306 |
0.964 |
136 |
336 |
SiH4 |
Silane |
1 |
A1 |
2246 |
2187 |
0.974 |
137 |
337 |
|
|
2 |
E |
977 |
975 |
0.998 |
137 |
338 |
|
|
3 |
T2 |
2252 |
2191 |
0.973 |
137 |
339 |
|
|
4 |
T2 |
914 |
914 |
1.000 |
137 |
340 |
CH2NH |
Methanimine |
1 |
A' |
3474 |
3263 |
0.939 |
138 |
341 |
|
|
2 |
A' |
3145 |
3024 |
0.962 |
138 |
342 |
|
|
3 |
A' |
3040 |
2914 |
0.958 |
138 |
343 |
|
|
4 |
A' |
1748 |
1638 |
0.937 |
138 |
344 |
|
|
5 |
A' |
1515 |
1452 |
0.959 |
138 |
345 |
|
|
6 |
A' |
1398 |
1344 |
0.962 |
138 |
346 |
|
|
7 |
A' |
1094 |
1058 |
0.967 |
138 |
347 |
|
|
8 |
A" |
1191 |
1127 |
0.947 |
138 |
348 |
|
|
9 |
A" |
1100 |
1061 |
0.964 |
138 |
349 |
CH2CO |
Ketene |
1 |
A1 |
3206 |
3070 |
0.958 |
139 |
350 |
|
|
2 |
A1 |
2271 |
2152 |
0.948 |
139 |
351 |
|
|
3 |
A1 |
1423 |
1388 |
0.975 |
139 |
352 |
|
|
4 |
A1 |
1187 |
1118 |
0.942 |
139 |
353 |
|
|
5 |
B1 |
595 |
588 |
0.988 |
139 |
354 |
|
|
6 |
B1 |
556 |
528 |
0.949 |
139 |
355 |
|
|
7 |
B2 |
3301 |
3166 |
0.959 |
139 |
356 |
|
|
8 |
B2 |
1006 |
977 |
0.971 |
139 |
357 |
|
|
9 |
B2 |
450 |
433 |
0.962 |
139 |
358 |
HCOOH |
Formic acid |
1 |
A' |
3770 |
3570 |
0.947 |
140 |
359 |
|
|
2 |
A' |
3092 |
2943 |
0.952 |
140 |
360 |
|
|
3 |
A' |
1877 |
1770 |
0.943 |
140 |
361 |
|
|
4 |
A' |
1428 |
1387 |
0.971 |
140 |
362 |
|
|
5 |
A' |
1333 |
1229 |
0.922 |
140 |
363 |
|
|
6 |
A' |
1169 |
1105 |
0.945 |
140 |
364 |
|
|
7 |
A' |
640 |
625 |
0.976 |
140 |
365 |
|
|
8 |
A" |
1065 |
1033 |
0.970 |
140 |
366 |
|
|
9 |
A" |
728 |
638 |
0.876 |
140 |
367 |
HNO3 |
Nitric acid |
1 |
A' |
3775 |
3550 |
0.940 |
141 |
368 |
|
|
2 |
A' |
1848 |
1708 |
0.924 |
141 |
369 |
|
|
3 |
A' |
1412 |
1331 |
0.943 |
141 |
370 |
|
|
4 |
A' |
1380 |
1325 |
0.960 |
141 |
371 |
|
|
5 |
A' |
957 |
879 |
0.919 |
141 |
372 |
|
|
6 |
A' |
692 |
647 |
0.936 |
141 |
373 |
|
|
7 |
A' |
614 |
579 |
0.942 |
141 |
374 |
|
|
8 |
A" |
808 |
762 |
0.943 |
141 |
375 |
|
|
9 |
A" |
519 |
456 |
0.878 |
141 |
376 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2314 |
2196 |
0.949 |
142 |
377 |
|
|
2 |
Σg |
792 |
786 |
0.992 |
142 |
378 |
|
|
3 |
Σu |
2444 |
2258 |
0.924 |
142 |
379 |
|
|
4 |
Σu |
1676 |
1573 |
0.939 |
142 |
380 |
|
|
5 |
Πg |
606 |
573 |
0.946 |
142 |
381 |
|
|
6 |
Πu |
601 |
550 |
0.916 |
142 |
382 |
|
|
7 |
Πu |
72 |
61 |
0.852 |
142 |
383 |
CH3F |
Methyl fluoride |
1 |
A1 |
3055 |
2930 |
0.959 |
143 |
384 |
|
|
2 |
A1 |
1519 |
1464 |
0.964 |
143 |
385 |
|
|
3 |
A1 |
1097 |
1049 |
0.957 |
143 |
386 |
|
|
4 |
E |
3143 |
3006 |
0.957 |
143 |
387 |
|
|
5 |
E |
1516 |
1467 |
0.968 |
143 |
388 |
|
|
6 |
E |
1213 |
1182 |
0.974 |
143 |
389 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3088 |
2948 |
0.955 |
144 |
390 |
|
|
2 |
A1 |
1555 |
1508 |
0.970 |
144 |
391 |
|
|
3 |
A1 |
1144 |
1111 |
0.972 |
144 |
392 |
|
|
4 |
A1 |
537 |
529 |
0.984 |
144 |
393 |
|
|
5 |
A2 |
1299 |
1262 |
0.971 |
144 |
394 |
|
|
6 |
B1 |
3161 |
3014 |
0.953 |
144 |
395 |
|
|
7 |
B1 |
1203 |
1178 |
0.979 |
144 |
396 |
|
|
8 |
B2 |
1501 |
1435 |
0.956 |
144 |
397 |
|
|
9 |
B2 |
1130 |
1090 |
0.964 |
144 |
398 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3182 |
3036 |
0.954 |
145 |
399 |
|
|
2 |
A1 |
1160 |
1117 |
0.963 |
145 |
400 |
|
|
3 |
A1 |
709 |
700 |
0.988 |
145 |
401 |
|
|
4 |
E |
1429 |
1372 |
0.960 |
145 |
402 |
|
|
5 |
E |
1186 |
1152 |
0.971 |
145 |
403 |
|
|
6 |
E |
514 |
507 |
0.987 |
145 |
404 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
924 |
909 |
0.983 |
146 |
405 |
|
|
2 |
E |
438 |
435 |
0.992 |
146 |
406 |
|
|
3 |
T2 |
1304 |
1283 |
0.984 |
146 |
407 |
|
|
4 |
T2 |
634 |
631 |
0.996 |
146 |
408 |
SiH3F |
monofluorosilane |
1 |
A1 |
2267 |
2206 |
0.973 |
147 |
409 |
|
|
2 |
A1 |
1024 |
990 |
0.967 |
147 |
410 |
|
|
3 |
A1 |
867 |
872 |
1.006 |
147 |
411 |
|
|
4 |
E |
2271 |
2196 |
0.967 |
147 |
412 |
|
|
5 |
E |
957 |
956 |
0.999 |
147 |
413 |
|
|
6 |
E |
733 |
728 |
0.994 |
147 |
414 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
782 |
800 |
1.023 |
148 |
415 |
|
|
2 |
E |
255 |
268 |
1.050 |
148 |
416 |
|
|
3 |
T2 |
1030 |
1032 |
1.002 |
148 |
417 |
|
|
4 |
T2 |
374 |
389 |
1.039 |
148 |
418 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1435 |
1417 |
0.987 |
149 |
419 |
|
|
2 |
A1 |
850 |
873 |
1.028 |
149 |
420 |
|
|
3 |
A1 |
465 |
472 |
1.016 |
149 |
421 |
|
|
4 |
E |
972 |
991 |
1.019 |
149 |
422 |
|
|
5 |
E |
453 |
482 |
1.064 |
149 |
423 |
|
|
6 |
E |
321 |
336 |
1.047 |
149 |
424 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3100 |
2966 |
0.957 |
150 |
425 |
|
|
2 |
A1 |
1417 |
1355 |
0.956 |
150 |
426 |
|
|
3 |
A1 |
748 |
732 |
0.979 |
150 |
427 |
|
|
4 |
E |
3204 |
3042 |
0.949 |
150 |
428 |
|
|
5 |
E |
1502 |
1455 |
0.969 |
150 |
429 |
|
|
6 |
E |
1055 |
1015 |
0.962 |
150 |
430 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2267 |
2201 |
0.971 |
151 |
431 |
|
|
2 |
A1 |
958 |
949 |
0.990 |
151 |
432 |
|
|
3 |
A1 |
542 |
551 |
1.016 |
151 |
433 |
|
|
4 |
E |
2279 |
2195 |
0.963 |
151 |
434 |
|
|
5 |
E |
955 |
954 |
0.999 |
151 |
435 |
|
|
6 |
E |
668 |
664 |
0.994 |
151 |
436 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3151 |
2999 |
0.952 |
152 |
437 |
|
|
2 |
A1 |
1480 |
1467 |
0.991 |
152 |
438 |
|
|
3 |
A1 |
727 |
717 |
0.986 |
152 |
439 |
|
|
4 |
A1 |
293 |
282 |
0.963 |
152 |
440 |
|
|
5 |
A2 |
1220 |
1153 |
0.945 |
152 |
441 |
|
|
6 |
B1 |
3230 |
3040 |
0.941 |
152 |
442 |
|
|
7 |
B1 |
919 |
898 |
0.977 |
152 |
443 |
|
|
8 |
B2 |
1337 |
1268 |
0.948 |
152 |
444 |
|
|
9 |
B2 |
763 |
758 |
0.994 |
152 |
445 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1114 |
1105 |
0.992 |
153 |
446 |
|
|
2 |
A1 |
795 |
781 |
0.982 |
153 |
447 |
|
|
3 |
A1 |
476 |
476 |
1.000 |
153 |
448 |
|
|
4 |
E |
1254 |
1212 |
0.966 |
153 |
449 |
|
|
5 |
E |
567 |
563 |
0.992 |
153 |
450 |
|
|
6 |
E |
353 |
350 |
0.992 |
153 |
451 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2293 |
2224 |
0.970 |
154 |
452 |
|
|
2 |
A1 |
958 |
954 |
0.995 |
154 |
453 |
|
|
3 |
A1 |
523 |
527 |
1.008 |
154 |
454 |
|
|
4 |
A1 |
192 |
188 |
0.980 |
154 |
455 |
|
|
5 |
A2 |
724 |
710 |
0.981 |
154 |
456 |
|
|
6 |
B1 |
2308 |
2237 |
0.969 |
154 |
457 |
|
|
7 |
B1 |
598 |
602 |
1.007 |
154 |
458 |
|
|
8 |
B2 |
889 |
876 |
0.985 |
154 |
459 |
|
|
9 |
B2 |
583 |
590 |
1.013 |
154 |
460 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
1017 |
1061 |
1.043 |
155 |
461 |
|
|
2 |
A1 |
695 |
715 |
1.029 |
155 |
462 |
|
|
3 |
A1 |
505 |
549 |
1.088 |
155 |
463 |
|
|
4 |
E |
1260 |
1315 |
1.044 |
155 |
464 |
|
|
5 |
E |
549 |
589 |
1.072 |
155 |
465 |
|
|
6 |
E |
365 |
405 |
1.111 |
155 |
466 |
CHCl3 |
Chloroform |
1 |
A1 |
3208 |
3034 |
0.946 |
156 |
467 |
|
|
2 |
A1 |
684 |
680 |
0.994 |
156 |
468 |
|
|
3 |
A1 |
378 |
366 |
0.969 |
156 |
469 |
|
|
4 |
E |
1279 |
1220 |
0.953 |
156 |
470 |
|
|
5 |
E |
771 |
774 |
1.004 |
156 |
471 |
|
|
6 |
E |
270 |
260 |
0.962 |
156 |
472 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1133 |
1101 |
0.972 |
157 |
473 |
|
|
2 |
A1 |
679 |
667 |
0.982 |
157 |
474 |
|
|
3 |
A1 |
461 |
458 |
0.993 |
157 |
475 |
|
|
4 |
A1 |
268 |
262 |
0.976 |
157 |
476 |
|
|
5 |
A2 |
330 |
322 |
0.976 |
157 |
477 |
|
|
6 |
B1 |
907 |
902 |
0.995 |
157 |
478 |
|
|
7 |
B1 |
441 |
437 |
0.990 |
157 |
479 |
|
|
8 |
B2 |
1209 |
1159 |
0.959 |
157 |
480 |
|
|
9 |
B2 |
442 |
446 |
1.008 |
157 |
481 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1130 |
1085 |
0.960 |
158 |
482 |
|
|
2 |
A1 |
541 |
535 |
0.988 |
158 |
483 |
|
|
3 |
A1 |
359 |
350 |
0.975 |
158 |
484 |
|
|
4 |
E |
840 |
847 |
1.009 |
158 |
485 |
|
|
5 |
E |
407 |
394 |
0.967 |
158 |
486 |
|
|
6 |
E |
253 |
241 |
0.953 |
158 |
487 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1193 |
1205 |
1.010 |
159 |
488 |
|
|
2 |
A1 |
548 |
577 |
1.052 |
159 |
489 |
|
|
3 |
A1 |
382 |
408 |
1.067 |
159 |
490 |
|
|
4 |
A1 |
203 |
218 |
1.075 |
159 |
491 |
|
|
5 |
A2 |
267 |
282 |
1.055 |
159 |
492 |
|
|
6 |
B1 |
572 |
586 |
1.024 |
159 |
493 |
|
|
7 |
B1 |
366 |
388 |
1.062 |
159 |
494 |
|
|
8 |
B2 |
1442 |
1434 |
0.994 |
159 |
495 |
|
|
9 |
B2 |
353 |
362 |
1.026 |
159 |
496 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2333 |
2261 |
0.969 |
160 |
497 |
|
|
2 |
A1 |
493 |
499 |
1.013 |
160 |
498 |
|
|
3 |
A1 |
256 |
254 |
0.994 |
160 |
499 |
|
|
4 |
E |
816 |
811 |
0.994 |
160 |
500 |
|
|
5 |
E |
598 |
600 |
1.003 |
160 |
501 |
|
|
6 |
E |
181 |
176 |
0.974 |
160 |
502 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
469 |
459 |
0.980 |
161 |
503 |
|
|
2 |
E |
227 |
217 |
0.955 |
161 |
504 |
|
|
3 |
T2 |
781 |
776 |
0.993 |
161 |
505 |
|
|
4 |
T2 |
326 |
314 |
0.963 |
161 |
506 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1339 |
1322 |
0.987 |
162 |
507 |
|
|
2 |
A1 |
468 |
481 |
1.027 |
162 |
508 |
|
|
3 |
A1 |
271 |
266 |
0.983 |
162 |
509 |
|
|
4 |
E |
580 |
590 |
1.018 |
162 |
510 |
|
|
5 |
E |
331 |
333 |
1.005 |
162 |
511 |
|
|
6 |
E |
191 |
187 |
0.977 |
162 |
512 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
421 |
424 |
1.007 |
163 |
513 |
|
|
2 |
E |
153 |
150 |
0.979 |
163 |
514 |
|
|
3 |
T2 |
620 |
621 |
1.002 |
163 |
515 |
|
|
4 |
T2 |
227 |
221 |
0.973 |
163 |
516 |
C2H4 |
Ethylene |
1 |
Ag |
3167 |
3026 |
0.956 |
164 |
517 |
|
|
2 |
Ag |
1717 |
1623 |
0.945 |
164 |
518 |
|
|
3 |
Ag |
1392 |
1342 |
0.965 |
164 |
519 |
|
|
4 |
Au |
1074 |
1023 |
0.952 |
164 |
520 |
|
|
5 |
B1u |
3149 |
2989 |
0.949 |
164 |
521 |
|
|
6 |
B1u |
1481 |
1444 |
0.975 |
164 |
522 |
|
|
7 |
B2g |
964 |
940 |
0.975 |
164 |
523 |
|
|
8 |
B2u |
3254 |
3105 |
0.954 |
164 |
524 |
|
|
9 |
B2u |
837 |
826 |
0.986 |
164 |
525 |
|
|
10 |
B3g |
3227 |
3086 |
0.956 |
164 |
526 |
|
|
11 |
B3g |
1250 |
1217 |
0.974 |
164 |
527 |
|
|
12 |
B3u |
974 |
949 |
0.974 |
164 |
528 |
C3H3 |
Propargyl radical |
1 |
A1 |
3485 |
3322 |
0.953 |
165 |
529 |
|
|
6 |
B1 |
667 |
687 |
1.031 |
165 |
530 |
|
|
7 |
B1 |
430 |
490 |
1.139 |
165 |
531 |
N2H4 |
Hydrazine |
1 |
A |
3606 |
3398 |
0.942 |
166 |
532 |
|
|
2 |
A |
3501 |
3329 |
0.951 |
166 |
533 |
|
|
3 |
A |
1765 |
1642 |
0.930 |
166 |
534 |
|
|
4 |
A |
1380 |
1275 |
0.924 |
166 |
535 |
|
|
5 |
A |
1168 |
1076 |
0.921 |
166 |
536 |
|
|
6 |
A |
855 |
780 |
0.912 |
166 |
537 |
|
|
7 |
A |
480 |
377 |
0.785 |
166 |
538 |
|
|
8 |
B |
3613 |
3350 |
0.927 |
166 |
539 |
|
|
9 |
B |
3489 |
3314 |
0.950 |
166 |
540 |
|
|
10 |
B |
1749 |
1628 |
0.931 |
166 |
541 |
|
|
11 |
B |
1341 |
1275 |
0.951 |
166 |
542 |
|
|
12 |
B |
1024 |
966 |
0.943 |
166 |
543 |
CH3CN |
Acetonitrile |
1 |
A1 |
3081 |
2954 |
0.959 |
167 |
544 |
|
|
2 |
A1 |
2401 |
2267 |
0.944 |
167 |
545 |
|
|
3 |
A1 |
1427 |
1385 |
0.970 |
167 |
546 |
|
|
4 |
A1 |
952 |
920 |
0.967 |
167 |
547 |
|
|
5 |
E |
3160 |
3009 |
0.952 |
167 |
548 |
|
|
6 |
E |
1494 |
1448 |
0.969 |
167 |
549 |
|
|
7 |
E |
1072 |
1041 |
0.971 |
167 |
550 |
|
|
8 |
E |
394 |
362 |
0.919 |
167 |
551 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2428 |
2290 |
0.943 |
168 |
552 |
|
|
2 |
Σg |
2245 |
2119 |
0.944 |
168 |
553 |
|
|
3 |
Σg |
625 |
692 |
1.107 |
168 |
554 |
|
|
4 |
Σu |
2384 |
2241 |
0.940 |
168 |
555 |
|
|
5 |
Σu |
1206 |
1154 |
0.957 |
168 |
556 |
|
|
6 |
Πg |
604 |
504 |
0.835 |
168 |
557 |
|
|
7 |
Πg |
295 |
263 |
0.891 |
168 |
558 |
|
|
8 |
Πu |
530 |
472 |
0.890 |
168 |
559 |
|
|
9 |
Πu |
116 |
107 |
0.923 |
168 |
560 |
CH3OH |
Methyl alcohol |
1 |
A' |
3861 |
3681 |
0.953 |
169 |
561 |
|
|
2 |
A' |
3149 |
3000 |
0.953 |
169 |
562 |
|
|
3 |
A' |
3008 |
2844 |
0.945 |
169 |
563 |
|
|
4 |
A' |
1535 |
1477 |
0.962 |
169 |
564 |
|
|
5 |
A' |
1506 |
1455 |
0.966 |
169 |
565 |
|
|
6 |
A' |
1404 |
1345 |
0.958 |
169 |
566 |
|
|
7 |
A' |
1108 |
1060 |
0.957 |
169 |
567 |
|
|
8 |
A' |
1085 |
1033 |
0.952 |
169 |
568 |
|
|
9 |
A" |
3057 |
2960 |
0.968 |
169 |
569 |
|
|
10 |
A" |
1518 |
1477 |
0.973 |
169 |
570 |
|
|
11 |
A" |
1188 |
1165 |
0.981 |
169 |
571 |
|
|
12 |
A" |
357 |
200 |
0.560 |
169 |
572 |
C2H2O2 |
Ethanedial |
1 |
Ag |
2981 |
2843 |
0.954 |
170 |
573 |
|
|
2 |
Ag |
1852 |
1745 |
0.942 |
170 |
574 |
|
|
3 |
Ag |
1394 |
1338 |
0.960 |
170 |
575 |
|
|
4 |
Ag |
1084 |
1065 |
0.982 |
170 |
576 |
|
|
5 |
Ag |
564 |
551 |
0.977 |
170 |
577 |
|
|
6 |
Au |
816 |
801 |
0.981 |
170 |
578 |
|
|
7 |
Au |
142 |
127 |
0.896 |
170 |
579 |
|
|
8 |
Bg |
1080 |
1048 |
0.971 |
170 |
580 |
|
|
9 |
Bu |
2976 |
2835 |
0.953 |
170 |
581 |
|
|
10 |
Bu |
1845 |
1732 |
0.939 |
170 |
582 |
|
|
11 |
Bu |
1346 |
1312 |
0.975 |
170 |
583 |
|
|
12 |
Bu |
332 |
339 |
1.022 |
170 |
584 |
CH3SH |
Methanethiol |
1 |
A' |
3174 |
3000 |
0.945 |
171 |
585 |
|
|
2 |
A' |
3080 |
2931 |
0.952 |
171 |
586 |
|
|
3 |
A' |
2666 |
2597 |
0.974 |
171 |
587 |
|
|
4 |
A' |
1507 |
1475 |
0.978 |
171 |
588 |
|
|
5 |
A' |
1394 |
1335 |
0.958 |
171 |
589 |
|
|
6 |
A' |
1120 |
1074 |
0.959 |
171 |
590 |
|
|
7 |
A' |
812 |
803 |
0.989 |
171 |
591 |
|
|
8 |
A' |
725 |
708 |
0.976 |
171 |
592 |
|
|
9 |
A" |
3171 |
3000 |
0.946 |
171 |
593 |
|
|
10 |
A" |
1499 |
1430 |
0.954 |
171 |
594 |
|
|
11 |
A" |
997 |
976 |
0.979 |
171 |
595 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3291 |
3115 |
0.947 |
172 |
596 |
|
|
2 |
A' |
3227 |
3080 |
0.954 |
172 |
597 |
|
|
3 |
A' |
3191 |
3052 |
0.957 |
172 |
598 |
|
|
4 |
A' |
1744 |
1654 |
0.949 |
172 |
599 |
|
|
5 |
A' |
1427 |
1380 |
0.967 |
172 |
600 |
|
|
6 |
A' |
1345 |
1306 |
0.971 |
172 |
601 |
|
|
7 |
A' |
1194 |
1156 |
0.968 |
172 |
602 |
|
|
8 |
A' |
954 |
929 |
0.974 |
172 |
603 |
|
|
9 |
A' |
488 |
483 |
0.990 |
172 |
604 |
|
|
10 |
A" |
978 |
940 |
0.961 |
172 |
605 |
|
|
11 |
A" |
880 |
863 |
0.981 |
172 |
606 |
|
|
12 |
A" |
739 |
711 |
0.962 |
172 |
607 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3222 |
3070 |
0.953 |
173 |
608 |
|
|
2 |
A1 |
1809 |
1728 |
0.955 |
173 |
609 |
|
|
3 |
A1 |
1422 |
1360 |
0.957 |
173 |
610 |
|
|
4 |
A1 |
957 |
926 |
0.967 |
173 |
611 |
|
|
5 |
A1 |
559 |
550 |
0.984 |
173 |
612 |
|
|
6 |
A2 |
730 |
714 |
0.978 |
173 |
613 |
|
|
7 |
B1 |
821 |
803 |
0.978 |
173 |
614 |
|
|
8 |
B1 |
649 |
611 |
0.941 |
173 |
615 |
|
|
9 |
B2 |
3325 |
3154 |
0.949 |
173 |
616 |
|
|
10 |
B2 |
1347 |
1302 |
0.967 |
173 |
617 |
|
|
11 |
B2 |
975 |
955 |
0.979 |
173 |
618 |
|
|
12 |
B2 |
441 |
438 |
0.993 |
173 |
619 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2421 |
2275 |
0.940 |
174 |
620 |
|
|
2 |
A1 |
1257 |
1227 |
0.976 |
174 |
621 |
|
|
3 |
A1 |
826 |
802 |
0.971 |
174 |
622 |
|
|
4 |
A1 |
528 |
522 |
0.988 |
174 |
623 |
|
|
5 |
E |
1237 |
1214 |
0.982 |
174 |
624 |
|
|
6 |
E |
639 |
618 |
0.967 |
174 |
625 |
|
|
7 |
E |
475 |
463 |
0.974 |
174 |
626 |
|
|
8 |
E |
196 |
196 |
0.999 |
174 |
627 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1951 |
1872 |
0.959 |
175 |
628 |
|
|
2 |
Ag |
811 |
778 |
0.960 |
175 |
629 |
|
|
3 |
Ag |
403 |
394 |
0.979 |
175 |
630 |
|
|
4 |
Au |
202 |
190 |
0.943 |
175 |
631 |
|
|
5 |
B1u |
1211 |
1186 |
0.980 |
175 |
632 |
|
|
6 |
B1u |
562 |
558 |
0.993 |
175 |
633 |
|
|
7 |
B2g |
561 |
508 |
0.906 |
175 |
634 |
|
|
8 |
B2u |
1368 |
1337 |
0.977 |
175 |
635 |
|
|
9 |
B2u |
206 |
218 |
1.058 |
175 |
636 |
|
|
10 |
B3g |
1370 |
1340 |
0.978 |
175 |
637 |
|
|
11 |
B3g |
559 |
551 |
0.985 |
175 |
638 |
|
|
12 |
B3u |
433 |
406 |
0.937 |
175 |
639 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
788 |
816 |
1.036 |
176 |
640 |
|
|
2 |
A1' |
642 |
648 |
1.009 |
176 |
641 |
|
|
3 |
A2" |
970 |
947 |
0.976 |
176 |
642 |
|
|
4 |
A2" |
557 |
575 |
1.033 |
176 |
643 |
|
|
5 |
E' |
1009 |
1024 |
1.015 |
176 |
644 |
|
|
6 |
E' |
514 |
533 |
1.036 |
176 |
645 |
|
|
7 |
E' |
165 |
174 |
1.054 |
176 |
646 |
|
|
8 |
E" |
492 |
520 |
1.057 |
176 |
647 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3796 |
3602 |
0.949 |
177 |
648 |
|
|
2 |
A |
1494 |
1486 |
0.995 |
177 |
649 |
|
|
3 |
A |
1240 |
1243 |
1.003 |
177 |
650 |
|
|
4 |
A |
1174 |
1150 |
0.979 |
177 |
651 |
|
|
5 |
A |
882 |
896 |
1.016 |
177 |
652 |
|
|
6 |
A |
795 |
823 |
1.035 |
177 |
653 |
|
|
7 |
A |
533 |
562 |
1.054 |
177 |
654 |
|
|
8 |
A |
518 |
551 |
1.063 |
177 |
655 |
|
|
9 |
A |
501 |
518 |
1.034 |
177 |
656 |
|
|
10 |
A |
416 |
409 |
0.983 |
177 |
657 |
|
|
11 |
A |
364 |
390 |
1.072 |
177 |
658 |
|
|
12 |
A |
289 |
266 |
0.921 |
177 |
659 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3275 |
3121 |
0.953 |
178 |
660 |
|
|
2 |
A' |
3239 |
3086 |
0.953 |
178 |
661 |
|
|
3 |
A' |
3178 |
3030 |
0.953 |
178 |
662 |
|
|
4 |
A' |
1696 |
1608 |
0.948 |
178 |
663 |
|
|
5 |
A' |
1417 |
1368 |
0.966 |
178 |
664 |
|
|
6 |
A' |
1323 |
1279 |
0.967 |
178 |
665 |
|
|
7 |
A' |
1055 |
1030 |
0.976 |
178 |
666 |
|
|
8 |
A' |
728 |
720 |
0.989 |
178 |
667 |
|
|
9 |
A' |
405 |
395 |
0.976 |
178 |
668 |
|
|
10 |
A" |
985 |
941 |
0.955 |
178 |
669 |
|
|
11 |
A" |
921 |
896 |
0.973 |
178 |
670 |
|
|
12 |
A" |
640 |
620 |
0.969 |
178 |
671 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3196 |
3035 |
0.950 |
179 |
672 |
|
|
2 |
A1 |
1694 |
1627 |
0.960 |
179 |
673 |
|
|
3 |
A1 |
1415 |
1400 |
0.989 |
179 |
674 |
|
|
4 |
A1 |
616 |
603 |
0.979 |
179 |
675 |
|
|
5 |
A1 |
309 |
299 |
0.967 |
179 |
676 |
|
|
6 |
A2 |
700 |
686 |
0.981 |
179 |
677 |
|
|
7 |
B1 |
891 |
875 |
0.982 |
179 |
678 |
|
|
8 |
B1 |
483 |
460 |
0.951 |
179 |
679 |
|
|
9 |
B2 |
3296 |
3130 |
0.950 |
179 |
680 |
|
|
10 |
B2 |
1113 |
1095 |
0.984 |
179 |
681 |
|
|
11 |
B2 |
796 |
800 |
1.005 |
179 |
682 |
|
|
12 |
B2 |
385 |
372 |
0.967 |
179 |
683 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3257 |
3077 |
0.945 |
180 |
684 |
|
|
2 |
A1 |
1687 |
1587 |
0.941 |
180 |
685 |
|
|
3 |
A1 |
1236 |
1179 |
0.954 |
180 |
686 |
|
|
4 |
A1 |
732 |
711 |
0.971 |
180 |
687 |
|
|
5 |
A1 |
170 |
173 |
1.020 |
180 |
688 |
|
|
6 |
A2 |
910 |
876 |
0.962 |
180 |
689 |
|
|
7 |
A2 |
425 |
406 |
0.955 |
180 |
690 |
|
|
8 |
B1 |
717 |
697 |
0.972 |
180 |
691 |
|
|
9 |
B2 |
3235 |
3072 |
0.949 |
180 |
692 |
|
|
10 |
B2 |
1339 |
1303 |
0.973 |
180 |
693 |
|
|
11 |
B2 |
876 |
857 |
0.978 |
180 |
694 |
|
|
12 |
B2 |
586 |
571 |
0.975 |
180 |
695 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3254 |
3073 |
0.944 |
181 |
696 |
|
|
2 |
Ag |
1682 |
1578 |
0.938 |
181 |
697 |
|
|
3 |
Ag |
1322 |
1274 |
0.964 |
181 |
698 |
|
|
4 |
Ag |
872 |
846 |
0.970 |
181 |
699 |
|
|
5 |
Ag |
358 |
350 |
0.978 |
181 |
700 |
|
|
6 |
Au |
938 |
900 |
0.959 |
181 |
701 |
|
|
7 |
Au |
216 |
227 |
1.049 |
181 |
702 |
|
|
8 |
Bg |
791 |
763 |
0.964 |
181 |
703 |
|
|
9 |
Bu |
3250 |
3090 |
0.951 |
181 |
704 |
|
|
10 |
Bu |
1245 |
1200 |
0.964 |
181 |
705 |
|
|
11 |
Bu |
842 |
828 |
0.983 |
181 |
706 |
|
|
12 |
Bu |
241 |
250 |
1.038 |
181 |
707 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3260 |
3082 |
0.945 |
182 |
708 |
|
|
2 |
A' |
1678 |
1586 |
0.945 |
182 |
709 |
|
|
3 |
A' |
1295 |
1247 |
0.963 |
182 |
710 |
|
|
4 |
A' |
950 |
931 |
0.980 |
182 |
711 |
|
|
5 |
A' |
862 |
840 |
0.974 |
182 |
712 |
|
|
6 |
A' |
645 |
630 |
0.976 |
182 |
713 |
|
|
7 |
A' |
396 |
384 |
0.970 |
182 |
714 |
|
|
8 |
A' |
286 |
277 |
0.970 |
182 |
715 |
|
|
9 |
A' |
175 |
178 |
1.016 |
182 |
716 |
|
|
10 |
A" |
811 |
780 |
0.961 |
182 |
717 |
|
|
11 |
A" |
482 |
451 |
0.936 |
182 |
718 |
|
|
12 |
A" |
208 |
215 |
1.034 |
182 |
719 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1146 |
1122 |
0.979 |
183 |
720 |
|
|
2 |
A1 |
410 |
401 |
0.979 |
183 |
721 |
|
|
3 |
A1 |
174 |
176 |
1.010 |
183 |
722 |
|
|
5 |
B2 |
740 |
728 |
0.984 |
183 |
723 |
|
|
6 |
B2 |
296 |
289 |
0.976 |
183 |
724 |
|
|
7 |
E |
932 |
917 |
0.984 |
183 |
725 |
|
|
8 |
E |
495 |
512 |
1.034 |
183 |
726 |
|
|
9 |
E |
97 |
104 |
1.071 |
183 |
727 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1654 |
1571 |
0.950 |
184 |
728 |
|
|
2 |
Ag |
463 |
447 |
0.965 |
184 |
729 |
|
|
3 |
Ag |
248 |
237 |
0.955 |
184 |
730 |
|
|
4 |
Au |
99 |
110 |
1.113 |
184 |
731 |
|
|
5 |
B1u |
797 |
777 |
0.975 |
184 |
732 |
|
|
6 |
B1u |
327 |
310 |
0.948 |
184 |
733 |
|
|
7 |
B2g |
556 |
512 |
0.921 |
184 |
734 |
|
|
8 |
B2u |
923 |
908 |
0.984 |
184 |
735 |
|
|
9 |
B2u |
184 |
176 |
0.956 |
184 |
736 |
|
|
10 |
B3g |
1004 |
1000 |
0.996 |
184 |
737 |
|
|
11 |
B3g |
352 |
347 |
0.985 |
184 |
738 |
|
|
12 |
B3u |
303 |
288 |
0.952 |
184 |
739 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
378 |
394 |
1.041 |
185 |
740 |
|
|
2 |
A1' |
272 |
264 |
0.970 |
185 |
741 |
|
|
3 |
A2" |
437 |
465 |
1.065 |
185 |
742 |
|
|
4 |
A2" |
297 |
299 |
1.007 |
185 |
743 |
|
|
5 |
E' |
557 |
592 |
1.063 |
185 |
744 |
|
|
6 |
E' |
268 |
273 |
1.017 |
185 |
745 |
|
|
7 |
E' |
89 |
100 |
1.119 |
185 |
746 |
|
|
8 |
E" |
257 |
282 |
1.095 |
185 |
747 |
CH3CCH |
propyne |
1 |
A1 |
3494 |
3334 |
0.954 |
186 |
748 |
|
|
2 |
A1 |
3060 |
2918 |
0.954 |
186 |
749 |
|
|
3 |
A1 |
2252 |
2124 |
0.943 |
186 |
750 |
|
|
4 |
A1 |
1429 |
1382 |
0.967 |
186 |
751 |
|
|
5 |
A1 |
962 |
931 |
0.967 |
186 |
752 |
|
|
6 |
E |
3130 |
3008 |
0.961 |
186 |
753 |
|
|
7 |
E |
1499 |
1452 |
0.969 |
186 |
754 |
|
|
8 |
E |
1064 |
1053 |
0.990 |
186 |
755 |
|
|
9 |
E |
638 |
633 |
0.992 |
186 |
756 |
|
|
10 |
E |
342 |
328 |
0.960 |
186 |
757 |
CH2CCH2 |
allene |
1 |
A1 |
3152 |
3015 |
0.956 |
187 |
758 |
|
|
2 |
A1 |
1494 |
1443 |
0.966 |
187 |
759 |
|
|
3 |
A1 |
1121 |
1073 |
0.957 |
187 |
760 |
|
|
4 |
B1 |
893 |
865 |
0.968 |
187 |
761 |
|
|
5 |
B2 |
3149 |
3007 |
0.955 |
187 |
762 |
|
|
6 |
B2 |
2081 |
1957 |
0.940 |
187 |
763 |
|
|
7 |
B2 |
1434 |
1398 |
0.975 |
187 |
764 |
|
|
8 |
E |
3228 |
3086 |
0.956 |
187 |
765 |
|
|
9 |
E |
1026 |
999 |
0.974 |
187 |
766 |
|
|
10 |
E |
861 |
841 |
0.976 |
187 |
767 |
|
|
11 |
E |
372 |
355 |
0.954 |
187 |
768 |
C3H4 |
cyclopropene |
1 |
A1 |
3320 |
3158 |
0.951 |
188 |
769 |
|
|
2 |
A1 |
3058 |
2909 |
0.951 |
188 |
770 |
|
|
3 |
A1 |
1754 |
1653 |
0.942 |
188 |
771 |
|
|
4 |
A1 |
1538 |
1483 |
0.964 |
188 |
772 |
|
|
5 |
A1 |
1187 |
1110 |
0.935 |
188 |
773 |
|
|
6 |
A1 |
927 |
905 |
0.976 |
188 |
774 |
|
|
7 |
A2 |
1029 |
996 |
0.968 |
188 |
775 |
|
|
8 |
A2 |
862 |
820 |
0.951 |
188 |
776 |
|
|
9 |
B1 |
3123 |
2995 |
0.959 |
188 |
777 |
|
|
10 |
B1 |
1125 |
1088 |
0.967 |
188 |
778 |
|
|
11 |
B1 |
601 |
569 |
0.948 |
188 |
779 |
|
|
12 |
B2 |
3271 |
3124 |
0.955 |
188 |
780 |
|
|
13 |
B2 |
1077 |
1043 |
0.968 |
188 |
781 |
|
|
14 |
B2 |
1037 |
1011 |
0.975 |
188 |
782 |
|
|
15 |
B2 |
813 |
769 |
0.946 |
188 |
783 |
CH3NH2 |
methyl amine |
1 |
A' |
3539 |
3361 |
0.950 |
189 |
784 |
|
|
2 |
A' |
3090 |
2961 |
0.958 |
189 |
785 |
|
|
3 |
A' |
2983 |
2820 |
0.945 |
189 |
786 |
|
|
4 |
A' |
1733 |
1623 |
0.936 |
189 |
787 |
|
|
5 |
A' |
1521 |
1473 |
0.969 |
189 |
788 |
|
|
6 |
A' |
1477 |
1430 |
0.968 |
189 |
789 |
|
|
7 |
A' |
1191 |
1130 |
0.949 |
189 |
790 |
|
|
8 |
A' |
1093 |
1044 |
0.956 |
189 |
791 |
|
|
9 |
A' |
874 |
780 |
0.892 |
189 |
792 |
|
|
10 |
A" |
3618 |
3427 |
0.947 |
189 |
793 |
|
|
11 |
A" |
3129 |
2985 |
0.954 |
189 |
794 |
|
|
12 |
A" |
1542 |
1485 |
0.963 |
189 |
795 |
|
|
13 |
A" |
1376 |
1335 |
0.970 |
189 |
796 |
|
|
14 |
A" |
992 |
|
|
189 |
797 |
|
|
15 |
A" |
331 |
268 |
0.810 |
189 |
798 |
C3H3N |
acrylonitrile |
1 |
A' |
3280 |
3125 |
0.953 |
190 |
799 |
|
|
2 |
A' |
3204 |
3078 |
0.961 |
190 |
800 |
|
|
3 |
A' |
3182 |
3042 |
0.956 |
190 |
801 |
|
|
4 |
A' |
2373 |
2239 |
0.944 |
190 |
802 |
|
|
5 |
A' |
1706 |
1615 |
0.947 |
190 |
803 |
|
|
6 |
A' |
1457 |
1416 |
0.972 |
190 |
804 |
|
|
7 |
A' |
1330 |
1282 |
0.964 |
190 |
805 |
|
|
8 |
A' |
1121 |
1096 |
0.977 |
190 |
806 |
|
|
9 |
A' |
896 |
869 |
0.970 |
190 |
807 |
|
|
10 |
A' |
589 |
570 |
0.969 |
190 |
808 |
|
|
11 |
A' |
241 |
242 |
1.005 |
190 |
809 |
|
|
12 |
A" |
1013 |
972 |
0.960 |
190 |
810 |
|
|
13 |
A" |
988 |
954 |
0.966 |
190 |
811 |
|
|
14 |
A" |
718 |
683 |
0.951 |
190 |
812 |
|
|
15 |
A" |
359 |
362 |
1.008 |
190 |
813 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3083 |
2935 |
0.952 |
191 |
814 |
|
|
2 |
A1 |
2413 |
2275 |
0.943 |
191 |
815 |
|
|
3 |
A1 |
1461 |
1395 |
0.955 |
191 |
816 |
|
|
4 |
A1 |
920 |
890 |
0.967 |
191 |
817 |
|
|
5 |
A1 |
597 |
582 |
0.975 |
191 |
818 |
|
|
6 |
A1 |
149 |
167 |
1.118 |
191 |
819 |
|
|
7 |
A2 |
1268 |
1220 |
0.962 |
191 |
820 |
|
|
8 |
A2 |
385 |
367 |
0.953 |
191 |
821 |
|
|
9 |
B1 |
3124 |
2968 |
0.950 |
191 |
822 |
|
|
10 |
B1 |
944 |
933 |
0.988 |
191 |
823 |
|
|
11 |
B1 |
349 |
337 |
0.965 |
191 |
824 |
|
|
12 |
B2 |
2409 |
2275 |
0.944 |
191 |
825 |
|
|
13 |
B2 |
1363 |
1318 |
0.967 |
191 |
826 |
|
|
14 |
B2 |
1010 |
982 |
0.973 |
191 |
827 |
|
|
15 |
B2 |
385 |
366 |
0.950 |
191 |
828 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3714 |
3447 |
0.928 |
192 |
829 |
|
|
2 |
A' |
3313 |
3102 |
0.936 |
192 |
830 |
|
|
3 |
A' |
1548 |
1441 |
0.931 |
192 |
831 |
|
|
4 |
A' |
1495 |
1384 |
0.926 |
192 |
832 |
|
|
5 |
A' |
1338 |
1259 |
0.941 |
192 |
833 |
|
|
6 |
A' |
1295 |
1159 |
0.895 |
192 |
834 |
|
|
7 |
A' |
1165 |
1084 |
0.930 |
192 |
835 |
|
|
8 |
A' |
1102 |
1015 |
0.921 |
192 |
836 |
|
|
9 |
A' |
1086 |
1002 |
0.922 |
192 |
837 |
|
|
10 |
A' |
1032 |
969 |
0.939 |
192 |
838 |
|
|
11 |
A' |
995 |
925 |
0.930 |
192 |
839 |
|
|
12 |
A" |
864 |
906 |
1.049 |
192 |
840 |
|
|
13 |
A" |
755 |
663 |
0.879 |
192 |
841 |
|
|
14 |
A" |
708 |
658 |
0.929 |
192 |
842 |
|
|
15 |
A" |
620 |
578 |
0.933 |
192 |
843 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3176 |
3014 |
0.949 |
193 |
844 |
|
|
2 |
A' |
3055 |
2923 |
0.957 |
193 |
845 |
|
|
3 |
A' |
2907 |
2716 |
0.934 |
193 |
846 |
|
|
4 |
A' |
1862 |
1743 |
0.936 |
193 |
847 |
|
|
5 |
A' |
1481 |
1433 |
0.968 |
193 |
848 |
|
|
6 |
A' |
1444 |
1395 |
0.966 |
193 |
849 |
|
|
7 |
A' |
1391 |
1352 |
0.972 |
193 |
850 |
|
|
8 |
A' |
1142 |
1114 |
0.975 |
193 |
851 |
|
|
9 |
A' |
900 |
867 |
0.963 |
193 |
852 |
|
|
10 |
A' |
511 |
509 |
0.996 |
193 |
853 |
|
|
11 |
A" |
3118 |
2964 |
0.951 |
193 |
854 |
|
|
12 |
A" |
1488 |
1431 |
0.962 |
193 |
855 |
|
|
13 |
A" |
1145 |
1102 |
0.962 |
193 |
856 |
|
|
14 |
A" |
777 |
764 |
0.983 |
193 |
857 |
|
|
15 |
A" |
158 |
150 |
0.951 |
193 |
858 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3118 |
3006 |
0.964 |
194 |
859 |
|
|
2 |
A1 |
1565 |
1467 |
0.937 |
194 |
860 |
|
|
3 |
A1 |
1333 |
1267 |
0.950 |
194 |
861 |
|
|
4 |
A1 |
1164 |
1146 |
0.984 |
194 |
862 |
|
|
5 |
A1 |
926 |
857 |
0.926 |
194 |
863 |
|
|
6 |
A2 |
3195 |
3063 |
0.959 |
194 |
864 |
|
|
7 |
A2 |
1189 |
1050 |
0.883 |
194 |
865 |
|
|
8 |
A2 |
1060 |
1020 |
0.963 |
194 |
866 |
|
|
9 |
B1 |
3211 |
3065 |
0.955 |
194 |
867 |
|
|
10 |
B1 |
1191 |
1146 |
0.962 |
194 |
868 |
|
|
11 |
B1 |
828 |
797 |
0.963 |
194 |
869 |
|
|
12 |
B2 |
3109 |
3006 |
0.967 |
194 |
870 |
|
|
13 |
B2 |
1520 |
1459 |
0.960 |
194 |
871 |
|
|
14 |
B2 |
1146 |
1159 |
1.011 |
194 |
872 |
|
|
15 |
B2 |
891 |
824 |
0.925 |
194 |
873 |
H2SO4 |
Sulfuric acid |
1 |
A |
3807 |
3563 |
0.936 |
195 |
874 |
|
|
2 |
A |
1219 |
1216 |
0.998 |
195 |
875 |
|
|
3 |
A |
1168 |
1136 |
0.972 |
195 |
876 |
|
|
4 |
A |
817 |
831 |
1.018 |
195 |
877 |
|
|
5 |
A |
531 |
548 |
1.032 |
195 |
878 |
|
|
6 |
A |
446 |
422 |
0.944 |
195 |
879 |
|
|
7 |
A |
372 |
379 |
1.018 |
195 |
880 |
|
|
8 |
A |
276 |
224 |
0.812 |
195 |
881 |
|
|
9 |
B |
3803 |
3567 |
0.938 |
195 |
882 |
|
|
10 |
B |
1476 |
1452 |
0.984 |
195 |
883 |
|
|
11 |
B |
1183 |
1157 |
0.978 |
195 |
884 |
|
|
12 |
B |
875 |
882 |
1.007 |
195 |
885 |
|
|
13 |
B |
540 |
558 |
1.034 |
195 |
886 |
|
|
14 |
B |
486 |
506 |
1.041 |
195 |
887 |
|
|
15 |
B |
338 |
288 |
0.852 |
195 |
888 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3205 |
3043 |
0.950 |
196 |
889 |
|
|
2 |
A' |
3086 |
2955 |
0.957 |
196 |
890 |
|
|
3 |
A' |
1960 |
1870 |
0.954 |
196 |
891 |
|
|
4 |
A' |
1489 |
1440 |
0.967 |
196 |
892 |
|
|
5 |
A' |
1419 |
1378 |
0.971 |
196 |
893 |
|
|
6 |
A' |
1228 |
1188 |
0.967 |
196 |
894 |
|
|
7 |
A' |
1019 |
1000 |
0.981 |
196 |
895 |
|
|
8 |
A' |
860 |
826 |
0.960 |
196 |
896 |
|
|
9 |
A' |
611 |
598 |
0.978 |
196 |
897 |
|
|
10 |
A' |
415 |
420 |
1.013 |
196 |
898 |
|
|
11 |
A" |
3155 |
3004 |
0.952 |
196 |
899 |
|
|
12 |
A" |
1493 |
1437 |
0.963 |
196 |
900 |
|
|
13 |
A" |
1081 |
1054 |
0.975 |
196 |
901 |
|
|
14 |
A" |
578 |
567 |
0.982 |
196 |
902 |
|
|
15 |
A" |
136 |
123 |
0.904 |
196 |
903 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
725 |
774 |
1.066 |
197 |
904 |
|
|
2 |
Eg |
627 |
642 |
1.024 |
197 |
905 |
|
|
3 |
T1u |
932 |
948 |
1.017 |
197 |
906 |
|
|
4 |
T1u |
580 |
616 |
1.060 |
197 |
907 |
|
|
5 |
T2g |
490 |
525 |
1.072 |
197 |
908 |
|
|
6 |
T2u |
328 |
347 |
1.057 |
197 |
909 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3190 |
3027 |
0.949 |
198 |
910 |
|
|
2 |
A' |
3085 |
2948 |
0.956 |
198 |
911 |
|
|
3 |
A' |
1940 |
1818 |
0.937 |
198 |
912 |
|
|
4 |
A' |
1482 |
1415 |
0.955 |
198 |
913 |
|
|
5 |
A' |
1406 |
1368 |
0.973 |
198 |
914 |
|
|
6 |
A' |
1129 |
1108 |
0.981 |
198 |
915 |
|
|
7 |
A' |
976 |
956 |
0.980 |
198 |
916 |
|
|
8 |
A' |
611 |
604 |
0.989 |
198 |
917 |
|
|
9 |
A' |
443 |
445 |
1.004 |
198 |
918 |
|
|
10 |
A' |
344 |
348 |
1.011 |
198 |
919 |
|
|
11 |
A" |
3163 |
2990 |
0.945 |
198 |
920 |
|
|
12 |
A" |
1485 |
1431 |
0.964 |
198 |
921 |
|
|
13 |
A" |
1057 |
1032 |
0.976 |
198 |
922 |
|
|
14 |
A" |
525 |
518 |
0.986 |
198 |
923 |
|
|
15 |
A" |
143 |
166 |
1.159 |
198 |
924 |
C2H6 |
Ethane |
1 |
A1g |
3057 |
2954 |
0.966 |
199 |
925 |
|
|
2 |
A1g |
1443 |
1388 |
0.962 |
199 |
926 |
|
|
3 |
A1g |
1027 |
995 |
0.968 |
199 |
927 |
|
|
4 |
A1u |
312 |
289 |
0.925 |
199 |
928 |
|
|
5 |
A2u |
3056 |
2896 |
0.948 |
199 |
929 |
|
|
6 |
A2u |
1419 |
1379 |
0.972 |
199 |
930 |
|
|
7 |
Eg |
3111 |
2969 |
0.954 |
199 |
931 |
|
|
8 |
Eg |
1526 |
1468 |
0.962 |
199 |
932 |
|
|
9 |
Eg |
1229 |
1190 |
0.968 |
199 |
933 |
|
|
10 |
Eu |
3137 |
2985 |
0.952 |
199 |
934 |
|
|
11 |
Eu |
1527 |
1469 |
0.962 |
199 |
935 |
|
|
12 |
Eu |
831 |
822 |
0.989 |
199 |
936 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3060 |
2898 |
0.947 |
200 |
937 |
|
|
2 |
A1 |
2228 |
2166 |
0.972 |
200 |
938 |
|
|
3 |
A1 |
1322 |
1260 |
0.953 |
200 |
939 |
|
|
4 |
A1 |
944 |
940 |
0.996 |
200 |
940 |
|
|
5 |
A1 |
707 |
700 |
0.990 |
200 |
941 |
|
|
6 |
A2 |
191 |
187 |
0.980 |
200 |
942 |
|
|
7 |
E |
3141 |
2982 |
0.949 |
200 |
943 |
|
|
8 |
E |
2227 |
2169 |
0.974 |
200 |
944 |
|
|
9 |
E |
1488 |
1403 |
0.943 |
200 |
945 |
|
|
10 |
E |
960 |
980 |
1.021 |
200 |
946 |
|
|
11 |
E |
901 |
868 |
0.963 |
200 |
947 |
|
|
12 |
E |
523 |
540 |
1.032 |
200 |
948 |
Si2H6 |
disilane |
1 |
A1g |
2227 |
2152 |
0.966 |
201 |
949 |
|
|
2 |
A1g |
923 |
909 |
0.985 |
201 |
950 |
|
|
3 |
A1g |
433 |
434 |
1.004 |
201 |
951 |
|
|
4 |
A1u |
137 |
131 |
0.954 |
201 |
952 |
|
|
5 |
A2u |
2218 |
2154 |
0.971 |
201 |
953 |
|
|
6 |
A2u |
848 |
844 |
0.995 |
201 |
954 |
|
|
7 |
Eg |
2227 |
2155 |
0.968 |
201 |
955 |
|
|
8 |
Eg |
940 |
929 |
0.988 |
201 |
956 |
|
|
9 |
Eg |
636 |
625 |
0.983 |
201 |
957 |
|
|
10 |
Eu |
2236 |
2179 |
0.974 |
201 |
958 |
|
|
11 |
Eu |
954 |
940 |
0.985 |
201 |
959 |
|
|
12 |
Eu |
378 |
379 |
1.003 |
201 |
960 |
C2H5N |
Aziridine |
1 |
A' |
3550 |
3338 |
0.940 |
202 |
961 |
|
|
2 |
A' |
3225 |
3079 |
0.955 |
202 |
962 |
|
|
3 |
A' |
3134 |
3015 |
0.962 |
202 |
963 |
|
|
4 |
A' |
1549 |
1482 |
0.957 |
202 |
964 |
|
|
5 |
A' |
1324 |
1237 |
0.935 |
202 |
965 |
|
|
6 |
A' |
1271 |
1211 |
0.953 |
202 |
966 |
|
|
7 |
A' |
1130 |
1090 |
0.964 |
202 |
967 |
|
|
8 |
A' |
1017 |
998 |
0.982 |
202 |
968 |
|
|
9 |
A' |
906 |
856 |
0.945 |
202 |
969 |
|
|
10 |
A' |
787 |
773 |
0.982 |
202 |
970 |
|
|
11 |
A" |
3211 |
3079 |
0.959 |
202 |
971 |
|
|
12 |
A" |
3127 |
3015 |
0.964 |
202 |
972 |
|
|
13 |
A" |
1512 |
1463 |
0.967 |
202 |
973 |
|
|
14 |
A" |
1296 |
1268 |
0.978 |
202 |
974 |
|
|
15 |
A" |
1163 |
1131 |
0.972 |
202 |
975 |
|
|
16 |
A" |
1112 |
1095 |
0.985 |
202 |
976 |
|
|
17 |
A" |
937 |
904 |
0.965 |
202 |
977 |
|
|
18 |
A" |
908 |
817 |
0.900 |
202 |
978 |
CH3COOH |
Acetic acid |
1 |
A' |
3793 |
3583 |
0.945 |
203 |
979 |
|
|
2 |
A' |
3203 |
3051 |
0.953 |
203 |
980 |
|
|
3 |
A' |
3085 |
2944 |
0.954 |
203 |
981 |
|
|
4 |
A' |
1877 |
1788 |
0.953 |
203 |
982 |
|
|
5 |
A' |
1492 |
1430 |
0.958 |
203 |
983 |
|
|
6 |
A' |
1433 |
1382 |
0.965 |
203 |
984 |
|
|
7 |
A' |
1364 |
1264 |
0.926 |
203 |
985 |
|
|
8 |
A' |
1245 |
1182 |
0.950 |
203 |
986 |
|
|
9 |
A' |
1012 |
989 |
0.977 |
203 |
987 |
|
|
10 |
A' |
884 |
847 |
0.958 |
203 |
988 |
|
|
11 |
A' |
596 |
657 |
1.102 |
203 |
989 |
|
|
12 |
A' |
424 |
|
|
203 |
990 |
|
|
13 |
A" |
3153 |
2996 |
0.950 |
203 |
991 |
|
|
14 |
A" |
1495 |
1430 |
0.957 |
203 |
992 |
|
|
15 |
A" |
1080 |
1048 |
0.971 |
203 |
993 |
|
|
16 |
A" |
706 |
642 |
0.909 |
203 |
994 |
|
|
17 |
A" |
557 |
534 |
0.959 |
203 |
995 |
|
|
18 |
A" |
72 |
93 |
1.288 |
203 |
996 |
CH3OCHO |
methyl formate |
1 |
A' |
3203 |
3045 |
0.951 |
204 |
997 |
|
|
2 |
A' |
3085 |
2969 |
0.962 |
204 |
998 |
|
|
3 |
A' |
3077 |
2943 |
0.956 |
204 |
999 |
|
|
4 |
A' |
1853 |
1754 |
0.947 |
204 |
1000 |
|
|
5 |
A' |
1521 |
1454 |
0.956 |
204 |
1001 |
|
|
6 |
A' |
1489 |
1445 |
0.971 |
204 |
1002 |
|
|
7 |
A' |
1417 |
1371 |
0.967 |
204 |
1003 |
|
|
8 |
A' |
1264 |
1207 |
0.955 |
204 |
1004 |
|
|
9 |
A' |
1206 |
1166 |
0.967 |
204 |
1005 |
|
|
10 |
A' |
971 |
925 |
0.952 |
204 |
1006 |
|
|
11 |
A' |
794 |
767 |
0.966 |
204 |
1007 |
|
|
12 |
A' |
304 |
318 |
1.046 |
204 |
1008 |
|
|
13 |
A" |
3164 |
3012 |
0.952 |
204 |
1009 |
|
|
14 |
A" |
1509 |
1443 |
0.956 |
204 |
1010 |
|
|
15 |
A" |
1194 |
1168 |
0.978 |
204 |
1011 |
|
|
16 |
A" |
1047 |
1032 |
0.986 |
204 |
1012 |
|
|
17 |
A" |
353 |
332 |
0.941 |
204 |
1013 |
|
|
18 |
A" |
127 |
130 |
1.025 |
204 |
1014 |
C3H3NO |
Isoxazole |
1 |
A' |
3313 |
3160 |
0.954 |
205 |
1015 |
|
|
2 |
A' |
3290 |
3128 |
0.951 |
205 |
1016 |
|
|
3 |
A' |
3269 |
3086 |
0.944 |
205 |
1017 |
|
|
4 |
A' |
1631 |
1561 |
0.957 |
205 |
1018 |
|
|
5 |
A' |
1497 |
1433 |
0.957 |
205 |
1019 |
|
|
6 |
A' |
1425 |
1371 |
0.962 |
205 |
1020 |
|
|
7 |
A' |
1268 |
1218 |
0.961 |
205 |
1021 |
|
|
8 |
A' |
1175 |
1130 |
0.961 |
205 |
1022 |
|
|
9 |
A' |
1146 |
1096 |
0.956 |
205 |
1023 |
|
|
10 |
A' |
1058 |
1024 |
0.968 |
205 |
1024 |
|
|
11 |
A' |
950 |
920 |
0.968 |
205 |
1025 |
|
|
12 |
A' |
935 |
900 |
0.963 |
205 |
1026 |
|
|
13 |
A' |
932 |
857 |
0.920 |
205 |
1027 |
|
|
14 |
A" |
911 |
890 |
0.976 |
205 |
1028 |
|
|
15 |
A" |
880 |
866 |
0.985 |
205 |
1029 |
|
|
16 |
A" |
791 |
765 |
0.967 |
205 |
1030 |
|
|
17 |
A" |
660 |
631 |
0.956 |
205 |
1031 |
|
|
18 |
A" |
618 |
592 |
0.958 |
205 |
1032 |
C3H3NO |
Oxazole |
1 |
A' |
3328 |
3170 |
0.953 |
206 |
1033 |
|
|
2 |
A' |
3304 |
3144 |
0.951 |
206 |
1034 |
|
|
3 |
A' |
3288 |
3141 |
0.955 |
206 |
1035 |
|
|
4 |
A' |
1610 |
1537 |
0.954 |
206 |
1036 |
|
|
5 |
A' |
1562 |
1504 |
0.963 |
206 |
1037 |
|
|
6 |
A' |
1384 |
1324 |
0.956 |
206 |
1038 |
|
|
7 |
A' |
1286 |
1252 |
0.974 |
206 |
1039 |
|
|
8 |
A' |
1190 |
1139 |
0.957 |
206 |
1040 |
|
|
9 |
A' |
1154 |
1086 |
0.941 |
206 |
1041 |
|
|
10 |
A' |
1121 |
1078 |
0.961 |
206 |
1042 |
|
|
11 |
A' |
1097 |
1046 |
0.953 |
206 |
1043 |
|
|
12 |
A' |
942 |
899 |
0.954 |
206 |
1044 |
|
|
13 |
A' |
927 |
854 |
0.922 |
206 |
1045 |
|
|
14 |
A" |
881 |
907 |
1.030 |
206 |
1046 |
|
|
15 |
A" |
846 |
830 |
0.981 |
206 |
1047 |
|
|
16 |
A" |
767 |
750 |
0.977 |
206 |
1048 |
|
|
17 |
A" |
674 |
647 |
0.960 |
206 |
1049 |
|
|
18 |
A" |
637 |
607 |
0.953 |
206 |
1050 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3099 |
2974 |
0.960 |
207 |
1051 |
|
|
2 |
A1 |
1454 |
1412 |
0.971 |
207 |
1052 |
|
|
3 |
A1 |
1307 |
1278 |
0.978 |
207 |
1053 |
|
|
4 |
A1 |
848 |
828 |
0.976 |
207 |
1054 |
|
|
5 |
A1 |
606 |
606 |
1.000 |
207 |
1055 |
|
|
6 |
A2 |
243 |
225 |
0.928 |
207 |
1056 |
|
|
7 |
E |
3189 |
3042 |
0.954 |
207 |
1057 |
|
|
8 |
E |
1504 |
1450 |
0.964 |
207 |
1058 |
|
|
9 |
E |
1263 |
1230 |
0.974 |
207 |
1059 |
|
|
10 |
E |
986 |
964 |
0.977 |
207 |
1060 |
|
|
11 |
E |
544 |
540 |
0.992 |
207 |
1061 |
|
|
12 |
E |
365 |
365 |
1.000 |
207 |
1062 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1440 |
1420 |
0.986 |
208 |
1063 |
|
|
2 |
A1g |
820 |
809 |
0.987 |
208 |
1064 |
|
|
3 |
A1g |
348 |
349 |
1.002 |
208 |
1065 |
|
|
4 |
A1u |
57 |
68 |
1.183 |
208 |
1066 |
|
|
5 |
A2u |
1134 |
1117 |
0.985 |
208 |
1067 |
|
|
6 |
A2u |
720 |
714 |
0.991 |
208 |
1068 |
|
|
7 |
Eg |
1258 |
1237 |
0.984 |
208 |
1069 |
|
|
8 |
Eg |
621 |
620 |
0.998 |
208 |
1070 |
|
|
9 |
Eg |
381 |
380 |
0.998 |
208 |
1071 |
|
|
10 |
Eu |
1273 |
1251 |
0.983 |
208 |
1072 |
|
|
11 |
Eu |
525 |
523 |
0.995 |
208 |
1073 |
|
|
12 |
Eu |
212 |
216 |
1.019 |
208 |
1074 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3139 |
2967 |
0.945 |
209 |
1075 |
|
|
2 |
A' |
3114 |
2946 |
0.946 |
209 |
1076 |
|
|
3 |
A' |
3064 |
2881 |
0.940 |
209 |
1077 |
|
|
4 |
A' |
1520 |
1463 |
0.962 |
209 |
1078 |
|
|
5 |
A' |
1507 |
1448 |
0.961 |
209 |
1079 |
|
|
6 |
A' |
1430 |
1385 |
0.968 |
209 |
1080 |
|
|
7 |
A' |
1347 |
1289 |
0.957 |
209 |
1081 |
|
|
8 |
A' |
1108 |
1081 |
0.976 |
209 |
1082 |
|
|
9 |
A' |
1000 |
974 |
0.974 |
209 |
1083 |
|
|
10 |
A' |
684 |
677 |
0.990 |
209 |
1084 |
|
|
11 |
A' |
334 |
336 |
1.007 |
209 |
1085 |
|
|
12 |
A" |
3180 |
3014 |
0.948 |
209 |
1086 |
|
|
13 |
A" |
3150 |
2986 |
0.948 |
209 |
1087 |
|
|
14 |
A" |
1505 |
1448 |
0.962 |
209 |
1088 |
|
|
15 |
A" |
1296 |
1251 |
0.965 |
209 |
1089 |
|
|
16 |
A" |
1101 |
974 |
0.885 |
209 |
1090 |
|
|
17 |
A" |
797 |
786 |
0.987 |
209 |
1091 |
|
|
18 |
A" |
269 |
251 |
0.932 |
209 |
1092 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3127 |
2957 |
0.946 |
210 |
1093 |
|
|
1 |
A |
3170 |
3005 |
0.948 |
210 |
1094 |
|
|
2 |
A |
3114 |
2957 |
0.950 |
210 |
1095 |
|
|
2 |
Ag |
1507 |
1445 |
0.959 |
210 |
1096 |
|
|
3 |
Ag |
1371 |
1304 |
0.951 |
210 |
1097 |
|
|
3 |
A |
1486 |
1433 |
0.964 |
210 |
1098 |
|
|
4 |
A |
1374 |
1315 |
0.957 |
210 |
1099 |
|
|
4 |
Ag |
1090 |
1052 |
0.965 |
210 |
1100 |
|
|
5 |
Ag |
783 |
754 |
0.963 |
210 |
1101 |
|
|
5 |
A |
1261 |
1207 |
0.957 |
210 |
1102 |
|
|
6 |
A |
1072 |
1027 |
0.958 |
210 |
1103 |
|
|
6 |
Ag |
304 |
300 |
0.986 |
210 |
1104 |
|
|
7 |
Au |
3208 |
3005 |
0.937 |
210 |
1105 |
|
|
7 |
A |
973 |
948 |
0.975 |
210 |
1106 |
|
|
8 |
A |
679 |
669 |
0.985 |
210 |
1107 |
|
|
8 |
Au |
1180 |
1123 |
0.952 |
210 |
1108 |
|
|
9 |
Au |
787 |
773 |
0.983 |
210 |
1109 |
|
|
9 |
A |
264 |
272 |
1.032 |
210 |
1110 |
|
|
10 |
A |
118 |
125 |
1.057 |
210 |
1111 |
|
|
10 |
Au |
121 |
123 |
1.013 |
210 |
1112 |
|
|
11 |
Bg |
3184 |
3005 |
0.944 |
210 |
1113 |
|
|
11 |
B |
3184 |
3005 |
0.944 |
210 |
1114 |
|
|
12 |
B |
3106 |
2957 |
0.952 |
210 |
1115 |
|
|
12 |
Bg |
1324 |
1264 |
0.955 |
210 |
1116 |
|
|
13 |
Bg |
1034 |
989 |
0.957 |
210 |
1117 |
|
|
13 |
B |
1481 |
1436 |
0.969 |
210 |
1118 |
|
|
14 |
B |
1349 |
1292 |
0.958 |
210 |
1119 |
|
|
14 |
Bu |
3135 |
2983 |
0.952 |
210 |
1120 |
|
|
15 |
Bu |
1506 |
1461 |
0.970 |
210 |
1121 |
|
|
15 |
B |
1194 |
1146 |
0.960 |
210 |
1122 |
|
|
16 |
B |
913 |
890 |
0.975 |
210 |
1123 |
|
|
16 |
Bu |
1291 |
1232 |
0.954 |
210 |
1124 |
|
|
17 |
Bu |
741 |
728 |
0.983 |
210 |
1125 |
|
|
17 |
B |
702 |
693 |
0.987 |
210 |
1126 |
|
|
18 |
B |
414 |
410 |
0.991 |
210 |
1127 |
|
|
18 |
Bu |
214 |
222 |
1.039 |
210 |
1128 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3087 |
2951 |
0.956 |
211 |
1129 |
|
|
2 |
A1 |
1436 |
1386 |
0.965 |
211 |
1130 |
|
|
3 |
A1 |
1106 |
1075 |
0.972 |
211 |
1131 |
|
|
4 |
A1 |
535 |
526 |
0.984 |
211 |
1132 |
|
|
5 |
A1 |
354 |
344 |
0.971 |
211 |
1133 |
|
|
6 |
A2 |
326 |
214 |
0.656 |
211 |
1134 |
|
|
7 |
E |
3178 |
3014 |
0.949 |
211 |
1135 |
|
|
8 |
E |
1495 |
1457 |
0.974 |
211 |
1136 |
|
|
9 |
E |
1118 |
1088 |
0.973 |
211 |
1137 |
|
|
10 |
E |
719 |
724 |
1.007 |
211 |
1138 |
|
|
11 |
E |
351 |
351 |
1.000 |
211 |
1139 |
|
|
12 |
E |
248 |
239 |
0.964 |
211 |
1140 |
C3H6 |
Cyclopropane |
1 |
A1' |
3159 |
3038 |
0.962 |
212 |
1141 |
|
|
2 |
A1' |
1541 |
1479 |
0.960 |
212 |
1142 |
|
|
3 |
A1' |
1243 |
1188 |
0.956 |
212 |
1143 |
|
|
4 |
A1" |
1164 |
1126 |
0.967 |
212 |
1144 |
|
|
5 |
A2' |
1083 |
1070 |
0.988 |
212 |
1145 |
|
|
6 |
A2" |
3251 |
3103 |
0.955 |
212 |
1146 |
|
|
7 |
A2" |
865 |
854 |
0.987 |
212 |
1147 |
|
|
8 |
E' |
3149 |
3025 |
0.961 |
212 |
1148 |
|
|
9 |
E' |
1484 |
1438 |
0.969 |
212 |
1149 |
|
|
10 |
E' |
1058 |
1029 |
0.973 |
212 |
1150 |
|
|
11 |
E' |
913 |
866 |
0.949 |
212 |
1151 |
|
|
12 |
E" |
3228 |
3082 |
0.955 |
212 |
1152 |
|
|
13 |
E" |
1226 |
1188 |
0.969 |
212 |
1153 |
|
|
14 |
E" |
750 |
739 |
0.986 |
212 |
1154 |
CH2CHCH3 |
Propene |
1 |
A' |
3239 |
3090 |
0.954 |
213 |
1155 |
|
|
2 |
A' |
3159 |
3013 |
0.954 |
213 |
1156 |
|
|
3 |
A' |
3149 |
2991 |
0.950 |
213 |
1157 |
|
|
4 |
A' |
3130 |
2954 |
0.944 |
213 |
1158 |
|
|
5 |
A' |
3045 |
2871 |
0.943 |
213 |
1159 |
|
|
6 |
A' |
1741 |
1650 |
0.948 |
213 |
1160 |
|
|
7 |
A' |
1514 |
1470 |
0.971 |
213 |
1161 |
|
|
8 |
A' |
1463 |
1420 |
0.971 |
213 |
1162 |
|
|
9 |
A' |
1422 |
1378 |
0.969 |
213 |
1163 |
|
|
10 |
A' |
1337 |
1297 |
0.970 |
213 |
1164 |
|
|
11 |
A' |
1204 |
1171 |
0.972 |
213 |
1165 |
|
|
12 |
A' |
954 |
963 |
1.010 |
213 |
1166 |
|
|
13 |
A' |
943 |
920 |
0.976 |
213 |
1167 |
|
|
14 |
A' |
426 |
428 |
1.004 |
213 |
1168 |
|
|
15 |
A" |
3099 |
2954 |
0.953 |
213 |
1169 |
|
|
16 |
A" |
1500 |
1443 |
0.962 |
213 |
1170 |
|
|
17 |
A" |
1077 |
1045 |
0.970 |
213 |
1171 |
|
|
18 |
A" |
1035 |
991 |
0.957 |
213 |
1172 |
|
|
19 |
A" |
937 |
912 |
0.974 |
213 |
1173 |
|
|
20 |
A" |
592 |
578 |
0.977 |
213 |
1174 |
|
|
21 |
A" |
206 |
174 |
0.846 |
213 |
1175 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3723 |
3523 |
0.946 |
214 |
1176 |
|
|
2 |
A' |
3299 |
3155 |
0.956 |
214 |
1177 |
|
|
3 |
A' |
3280 |
3137 |
0.956 |
214 |
1178 |
|
|
4 |
A' |
3267 |
3126 |
0.957 |
214 |
1179 |
|
|
5 |
A' |
1600 |
1531 |
0.957 |
214 |
1180 |
|
|
6 |
A' |
1521 |
1447 |
0.951 |
214 |
1181 |
|
|
7 |
A' |
1456 |
1395 |
0.958 |
214 |
1182 |
|
|
8 |
A' |
1414 |
1358 |
0.960 |
214 |
1183 |
|
|
9 |
A' |
1305 |
1254 |
0.961 |
214 |
1184 |
|
|
10 |
A' |
1213 |
1159 |
0.956 |
214 |
1185 |
|
|
11 |
A' |
1166 |
1121 |
0.961 |
214 |
1186 |
|
|
12 |
A' |
1071 |
1054 |
0.984 |
214 |
1187 |
|
|
13 |
A' |
1066 |
1009 |
0.946 |
214 |
1188 |
|
|
14 |
A' |
951 |
924 |
0.972 |
214 |
1189 |
|
|
15 |
A' |
931 |
908 |
0.975 |
214 |
1190 |
|
|
16 |
A" |
898 |
879 |
0.979 |
214 |
1191 |
|
|
17 |
A" |
846 |
833 |
0.985 |
214 |
1192 |
|
|
18 |
A" |
756 |
745 |
0.985 |
214 |
1193 |
|
|
19 |
A" |
704 |
674 |
0.957 |
214 |
1194 |
|
|
20 |
A" |
646 |
623 |
0.964 |
214 |
1195 |
|
|
21 |
A" |
546 |
516 |
0.945 |
214 |
1196 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3711 |
3517 |
0.948 |
215 |
1197 |
|
|
2 |
A' |
3301 |
3143 |
0.952 |
215 |
1198 |
|
|
3 |
A' |
3273 |
3123 |
0.954 |
215 |
1199 |
|
|
4 |
A' |
3268 |
3110 |
0.952 |
215 |
1200 |
|
|
5 |
A' |
1589 |
1448 |
0.911 |
215 |
1201 |
|
|
6 |
A' |
1533 |
1404 |
0.916 |
215 |
1202 |
|
|
7 |
A' |
1472 |
1328 |
0.902 |
215 |
1203 |
|
|
8 |
A' |
1396 |
1265 |
0.906 |
215 |
1204 |
|
|
9 |
A' |
1294 |
1188 |
0.918 |
215 |
1205 |
|
|
10 |
A' |
1194 |
1098 |
0.919 |
215 |
1206 |
|
|
11 |
A' |
1164 |
1062 |
0.912 |
215 |
1207 |
|
|
12 |
A' |
1115 |
1013 |
0.909 |
215 |
1208 |
|
|
13 |
A' |
1091 |
988 |
0.906 |
215 |
1209 |
|
|
14 |
A' |
954 |
923 |
0.967 |
215 |
1210 |
|
|
15 |
A' |
914 |
898 |
0.983 |
215 |
1211 |
|
|
16 |
A" |
868 |
831 |
0.958 |
215 |
1212 |
|
|
17 |
A" |
817 |
758 |
0.928 |
215 |
1213 |
|
|
18 |
A" |
726 |
674 |
0.928 |
215 |
1214 |
|
|
19 |
A" |
691 |
663 |
0.959 |
215 |
1215 |
|
|
20 |
A" |
655 |
621 |
0.948 |
215 |
1216 |
|
|
21 |
A" |
541 |
539 |
0.997 |
215 |
1217 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3206 |
3042 |
0.949 |
216 |
1218 |
|
|
2 |
A1' |
1168 |
1132 |
0.969 |
216 |
1219 |
|
|
3 |
A1' |
1032 |
992 |
0.961 |
216 |
1220 |
|
|
4 |
A2' |
1413 |
1278 |
0.905 |
216 |
1221 |
|
|
5 |
A2' |
1214 |
1068 |
0.880 |
216 |
1222 |
|
|
6 |
A2" |
955 |
925 |
0.969 |
216 |
1223 |
|
|
7 |
A2" |
764 |
737 |
0.965 |
216 |
1224 |
|
|
8 |
E' |
3200 |
3056 |
0.955 |
216 |
1225 |
|
|
9 |
E' |
1640 |
1555 |
0.948 |
216 |
1226 |
|
|
10 |
E' |
1461 |
1410 |
0.965 |
216 |
1227 |
|
|
11 |
E' |
1220 |
1176 |
0.964 |
216 |
1228 |
|
|
12 |
E' |
698 |
657 |
0.942 |
216 |
1229 |
|
|
13 |
E" |
1048 |
830 |
0.792 |
216 |
1230 |
|
|
14 |
E" |
350 |
340 |
0.971 |
216 |
1231 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3150 |
2996 |
0.951 |
217 |
1232 |
|
|
2 |
A1 |
2998 |
2817 |
0.939 |
217 |
1233 |
|
|
3 |
A1 |
1543 |
1464 |
0.949 |
217 |
1234 |
|
|
4 |
A1 |
1512 |
1452 |
0.960 |
217 |
1235 |
|
|
5 |
A1 |
1287 |
1244 |
0.967 |
217 |
1236 |
|
|
6 |
A1 |
981 |
928 |
0.946 |
217 |
1237 |
|
|
7 |
A1 |
417 |
418 |
1.002 |
217 |
1238 |
|
|
8 |
A2 |
3040 |
2952 |
0.971 |
217 |
1239 |
|
|
9 |
A2 |
1502 |
1464 |
0.975 |
217 |
1240 |
|
|
10 |
A2 |
1181 |
1150 |
0.974 |
217 |
1241 |
|
|
11 |
A2 |
221 |
203 |
0.917 |
217 |
1242 |
|
|
12 |
B1 |
3036 |
2925 |
0.964 |
217 |
1243 |
|
|
13 |
B1 |
1512 |
1464 |
0.968 |
217 |
1244 |
|
|
14 |
B1 |
1213 |
1179 |
0.972 |
217 |
1245 |
|
|
15 |
B1 |
257 |
242 |
0.941 |
217 |
1246 |
|
|
16 |
B2 |
3149 |
2996 |
0.952 |
217 |
1247 |
|
|
17 |
B2 |
2984 |
2817 |
0.944 |
217 |
1248 |
|
|
18 |
B2 |
1520 |
1464 |
0.963 |
217 |
1249 |
|
|
19 |
B2 |
1481 |
1452 |
0.981 |
217 |
1250 |
|
|
20 |
B2 |
1236 |
1227 |
0.993 |
217 |
1251 |
|
|
21 |
B2 |
1148 |
1102 |
0.960 |
217 |
1252 |
C4H4O |
Furan |
1 |
A1 |
3312 |
3161 |
0.954 |
218 |
1253 |
|
|
2 |
A1 |
3282 |
3140 |
0.957 |
218 |
1254 |
|
|
3 |
A1 |
1542 |
1491 |
0.967 |
218 |
1255 |
|
|
4 |
A1 |
1440 |
1384 |
0.961 |
218 |
1256 |
|
|
5 |
A1 |
1182 |
1140 |
0.964 |
218 |
1257 |
|
|
6 |
A1 |
1115 |
1066 |
0.956 |
218 |
1258 |
|
|
7 |
A1 |
1031 |
995 |
0.965 |
218 |
1259 |
|
|
8 |
A1 |
895 |
871 |
0.973 |
218 |
1260 |
|
|
9 |
A2 |
879 |
838 |
0.953 |
218 |
1261 |
|
|
10 |
A2 |
736 |
728 |
0.990 |
218 |
1262 |
|
|
11 |
A2 |
620 |
603 |
0.973 |
218 |
1263 |
|
|
12 |
B1 |
846 |
863 |
1.020 |
218 |
1264 |
|
|
13 |
B1 |
762 |
745 |
0.978 |
218 |
1265 |
|
|
14 |
B1 |
632 |
613 |
0.969 |
218 |
1266 |
|
|
15 |
B2 |
3306 |
3154 |
0.954 |
218 |
1267 |
|
|
16 |
B2 |
3270 |
3129 |
0.957 |
218 |
1268 |
|
|
17 |
B2 |
1622 |
1556 |
0.959 |
218 |
1269 |
|
|
18 |
B2 |
1297 |
1267 |
0.977 |
218 |
1270 |
|
|
19 |
B2 |
1235 |
1180 |
0.955 |
218 |
1271 |
|
|
20 |
B2 |
1076 |
1040 |
0.967 |
218 |
1272 |
|
|
21 |
B2 |
900 |
873 |
0.970 |
218 |
1273 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3120 |
3001 |
0.962 |
219 |
1274 |
|
|
2 |
A' |
3112 |
2935 |
0.943 |
219 |
1275 |
|
|
3 |
A' |
1968 |
1882 |
0.956 |
219 |
1276 |
|
|
4 |
A' |
1544 |
1475 |
0.955 |
219 |
1277 |
|
|
5 |
A' |
1473 |
1427 |
0.969 |
219 |
1278 |
|
|
6 |
A' |
1370 |
1319 |
0.963 |
219 |
1279 |
|
|
7 |
A' |
1239 |
1199 |
0.968 |
219 |
1280 |
|
|
8 |
A' |
1139 |
1093 |
0.960 |
219 |
1281 |
|
|
9 |
A' |
1042 |
1005 |
0.965 |
219 |
1282 |
|
|
10 |
A' |
985 |
924 |
0.938 |
219 |
1283 |
|
|
11 |
A' |
916 |
891 |
0.973 |
219 |
1284 |
|
|
12 |
A' |
769 |
746 |
0.970 |
219 |
1285 |
|
|
13 |
A' |
505 |
513 |
1.016 |
219 |
1286 |
|
|
14 |
A" |
3185 |
3028 |
0.951 |
219 |
1287 |
|
|
15 |
A" |
3169 |
3000 |
0.947 |
219 |
1288 |
|
|
16 |
A" |
1218 |
1184 |
0.972 |
219 |
1289 |
|
|
17 |
A" |
1182 |
1139 |
0.963 |
219 |
1290 |
|
|
18 |
A" |
1077 |
1046 |
0.971 |
219 |
1291 |
|
|
19 |
A" |
809 |
790 |
0.977 |
219 |
1292 |
|
|
20 |
A" |
525 |
490 |
0.933 |
219 |
1293 |
|
|
21 |
A" |
184 |
113 |
0.614 |
219 |
1294 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3137 |
2966 |
0.945 |
220 |
1295 |
|
|
1 |
A |
3153 |
2980 |
0.945 |
220 |
1296 |
|
|
2 |
A |
3132 |
2967 |
0.947 |
220 |
1297 |
|
|
2 |
A' |
3085 |
2872 |
0.931 |
220 |
1298 |
|
|
3 |
A' |
3064 |
2872 |
0.937 |
220 |
1299 |
|
|
3 |
A |
3121 |
2930 |
0.939 |
220 |
1300 |
|
|
4 |
A |
3088 |
2902 |
0.940 |
220 |
1301 |
|
|
4 |
A' |
2663 |
2580 |
0.969 |
220 |
1302 |
|
|
5 |
A' |
1525 |
1453 |
0.953 |
220 |
1303 |
|
|
5 |
A |
3055 |
2875 |
0.941 |
220 |
1304 |
|
|
6 |
A |
2661 |
2591 |
0.974 |
220 |
1305 |
|
|
6 |
A' |
1508 |
1453 |
0.964 |
220 |
1306 |
|
|
7 |
A' |
1432 |
1385 |
0.967 |
220 |
1307 |
|
|
7 |
A |
1519 |
1462 |
0.962 |
220 |
1308 |
|
|
8 |
A |
1512 |
1452 |
0.960 |
220 |
1309 |
|
|
8 |
A' |
1328 |
1309 |
0.986 |
220 |
1310 |
|
|
9 |
A' |
1132 |
1097 |
0.969 |
220 |
1311 |
|
|
9 |
A |
1497 |
1437 |
0.960 |
220 |
1312 |
|
|
10 |
A |
1430 |
1377 |
0.963 |
220 |
1313 |
|
|
10 |
A' |
1015 |
978 |
0.964 |
220 |
1314 |
|
|
11 |
A' |
873 |
870 |
0.996 |
220 |
1315 |
|
|
11 |
A |
1332 |
1269 |
0.953 |
220 |
1316 |
|
|
12 |
A |
1301 |
1246 |
0.958 |
220 |
1317 |
|
|
12 |
A' |
689 |
660 |
0.959 |
220 |
1318 |
|
|
13 |
A' |
304 |
332 |
1.093 |
220 |
1319 |
|
|
13 |
A |
1142 |
1093 |
0.957 |
220 |
1320 |
|
|
14 |
A |
1087 |
1051 |
0.967 |
220 |
1321 |
|
|
14 |
A" |
3152 |
2966 |
0.941 |
220 |
1322 |
|
|
15 |
A" |
3127 |
2930 |
0.937 |
220 |
1323 |
|
|
15 |
A |
1004 |
970 |
0.966 |
220 |
1324 |
|
|
16 |
A |
885 |
867 |
0.979 |
220 |
1325 |
|
|
16 |
A" |
1516 |
1453 |
0.959 |
220 |
1326 |
|
|
17 |
A" |
1290 |
1269 |
0.984 |
220 |
1327 |
|
|
17 |
A |
746 |
735 |
0.985 |
220 |
1328 |
|
|
18 |
A |
673 |
658 |
0.978 |
220 |
1329 |
|
|
18 |
A" |
1067 |
1049 |
0.983 |
220 |
1330 |
|
|
19 |
A" |
801 |
745 |
0.930 |
220 |
1331 |
|
|
19 |
A |
330 |
319 |
0.966 |
220 |
1332 |
|
|
20 |
A |
271 |
|
|
220 |
1333 |
|
|
21 |
A |
214 |
|
|
220 |
1334 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3162 |
2997 |
0.948 |
221 |
1335 |
|
|
2 |
A1 |
3057 |
2925 |
0.957 |
221 |
1336 |
|
|
3 |
A1 |
1508 |
1447 |
0.959 |
221 |
1337 |
|
|
4 |
A1 |
1401 |
1337 |
0.955 |
221 |
1338 |
|
|
5 |
A1 |
1075 |
1030 |
0.958 |
221 |
1339 |
|
|
6 |
A1 |
711 |
695 |
0.978 |
221 |
1340 |
|
|
7 |
A1 |
265 |
280 |
1.057 |
221 |
1341 |
|
|
8 |
A2 |
3143 |
2970 |
0.945 |
221 |
1342 |
|
|
9 |
A2 |
1485 |
1427 |
0.961 |
221 |
1343 |
|
|
10 |
A2 |
972 |
946 |
0.973 |
221 |
1344 |
|
|
11 |
A2 |
187 |
175 |
0.934 |
221 |
1345 |
|
|
12 |
B1 |
3136 |
2970 |
0.947 |
221 |
1346 |
|
|
13 |
B1 |
1495 |
1439 |
0.962 |
221 |
1347 |
|
|
14 |
B1 |
1015 |
973 |
0.958 |
221 |
1348 |
|
|
15 |
B1 |
189 |
183 |
0.967 |
221 |
1349 |
|
|
16 |
B2 |
3163 |
2999 |
0.948 |
221 |
1350 |
|
|
17 |
B2 |
3060 |
2919 |
0.954 |
221 |
1351 |
|
|
18 |
B2 |
1498 |
1442 |
0.963 |
221 |
1352 |
|
|
19 |
B2 |
1373 |
1315 |
0.958 |
221 |
1353 |
|
|
20 |
B2 |
930 |
903 |
0.971 |
221 |
1354 |
|
|
21 |
B2 |
763 |
742 |
0.972 |
221 |
1355 |
C4H4S |
Thiophene |
1 |
A1 |
3277 |
3126 |
0.954 |
222 |
1356 |
|
|
2 |
A1 |
3241 |
3098 |
0.956 |
222 |
1357 |
|
|
3 |
A1 |
1478 |
1409 |
0.953 |
222 |
1358 |
|
|
4 |
A1 |
1417 |
1360 |
0.960 |
222 |
1359 |
|
|
5 |
A1 |
1114 |
1083 |
0.972 |
222 |
1360 |
|
|
6 |
A1 |
1070 |
1036 |
0.968 |
222 |
1361 |
|
|
7 |
A1 |
860 |
872 |
1.014 |
222 |
1362 |
|
|
8 |
A1 |
623 |
608 |
0.976 |
222 |
1363 |
|
|
9 |
A2 |
913 |
867 |
0.950 |
222 |
1364 |
|
|
10 |
A2 |
685 |
688 |
1.004 |
222 |
1365 |
|
|
11 |
A2 |
575 |
567 |
0.985 |
222 |
1366 |
|
|
12 |
B1 |
876 |
839 |
0.958 |
222 |
1367 |
|
|
13 |
B1 |
725 |
712 |
0.982 |
222 |
1368 |
|
|
14 |
B1 |
459 |
452 |
0.984 |
222 |
1369 |
|
|
15 |
B2 |
3274 |
3125 |
0.954 |
222 |
1370 |
|
|
16 |
B2 |
3227 |
3086 |
0.956 |
222 |
1371 |
|
|
17 |
B2 |
1584 |
1504 |
0.949 |
222 |
1372 |
|
|
18 |
B2 |
1289 |
1256 |
0.975 |
222 |
1373 |
|
|
19 |
B2 |
1117 |
1085 |
0.972 |
222 |
1374 |
|
|
20 |
B2 |
891 |
903 |
1.014 |
222 |
1375 |
|
|
21 |
B2 |
768 |
751 |
0.978 |
222 |
1376 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3252 |
3087 |
0.949 |
223 |
1377 |
|
|
2 |
Ag |
3166 |
3003 |
0.948 |
223 |
1378 |
|
|
3 |
Ag |
3155 |
2992 |
0.948 |
223 |
1379 |
|
|
4 |
Ag |
1738 |
1630 |
0.938 |
223 |
1380 |
|
|
5 |
Ag |
1486 |
1438 |
0.968 |
223 |
1381 |
|
|
6 |
Ag |
1325 |
1280 |
0.966 |
223 |
1382 |
|
|
7 |
Ag |
1243 |
1196 |
0.962 |
223 |
1383 |
|
|
8 |
Ag |
911 |
894 |
0.981 |
223 |
1384 |
|
|
9 |
Ag |
520 |
512 |
0.985 |
223 |
1385 |
|
|
10 |
Au |
1061 |
1013 |
0.955 |
223 |
1386 |
|
|
11 |
Au |
932 |
908 |
0.974 |
223 |
1387 |
|
|
12 |
Au |
537 |
522 |
0.972 |
223 |
1388 |
|
|
13 |
Au |
175 |
162 |
0.924 |
223 |
1389 |
|
|
14 |
Bg |
1002 |
976 |
0.974 |
223 |
1390 |
|
|
15 |
Bg |
934 |
912 |
0.976 |
223 |
1391 |
|
|
16 |
Bg |
785 |
770 |
0.980 |
223 |
1392 |
|
|
17 |
Bu |
3253 |
3101 |
0.953 |
223 |
1393 |
|
|
18 |
Bu |
3170 |
3055 |
0.964 |
223 |
1394 |
|
|
19 |
Bu |
3161 |
2984 |
0.944 |
223 |
1395 |
|
|
20 |
Bu |
1678 |
1596 |
0.951 |
223 |
1396 |
|
|
21 |
Bu |
1426 |
1381 |
0.968 |
223 |
1397 |
|
|
22 |
Bu |
1330 |
1294 |
0.973 |
223 |
1398 |
|
|
23 |
Bu |
1010 |
990 |
0.981 |
223 |
1399 |
|
|
24 |
Bu |
300 |
301 |
1.005 |
223 |
1400 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3053 |
2916 |
0.955 |
224 |
1401 |
|
|
2 |
A1' |
2391 |
2240 |
0.937 |
224 |
1402 |
|
|
3 |
A1' |
1432 |
1380 |
0.964 |
224 |
1403 |
|
|
4 |
A1' |
739 |
725 |
0.981 |
224 |
1404 |
|
|
6 |
A2" |
3053 |
2938 |
0.962 |
224 |
1405 |
|
|
7 |
A2" |
1431 |
1382 |
0.966 |
224 |
1406 |
|
|
8 |
A2" |
1195 |
1152 |
0.964 |
224 |
1407 |
|
|
9 |
E' |
3119 |
2973 |
0.953 |
224 |
1408 |
|
|
10 |
E' |
1501 |
1456 |
0.970 |
224 |
1409 |
|
|
11 |
E' |
1074 |
1054 |
0.981 |
224 |
1410 |
|
|
12 |
E' |
205 |
213 |
1.041 |
224 |
1411 |
|
|
13 |
E" |
3120 |
2966 |
0.951 |
224 |
1412 |
|
|
14 |
E" |
1501 |
1448 |
0.965 |
224 |
1413 |
|
|
15 |
E" |
1051 |
1029 |
0.979 |
224 |
1414 |
|
|
16 |
E" |
400 |
371 |
0.928 |
224 |
1415 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3159 |
3061 |
0.969 |
225 |
1416 |
|
|
2 |
A' |
3143 |
3010 |
0.958 |
225 |
1417 |
|
|
3 |
A' |
3141 |
2965 |
0.944 |
225 |
1418 |
|
|
4 |
A' |
3051 |
2905 |
0.952 |
225 |
1419 |
|
|
5 |
A' |
2087 |
1970 |
0.944 |
225 |
1420 |
|
|
6 |
A' |
1524 |
1453 |
0.953 |
225 |
1421 |
|
|
7 |
A' |
1487 |
1437 |
0.967 |
225 |
1422 |
|
|
8 |
A' |
1422 |
1389 |
0.977 |
225 |
1423 |
|
|
9 |
A' |
1373 |
1330 |
0.968 |
225 |
1424 |
|
|
10 |
A' |
1164 |
1132 |
0.972 |
225 |
1425 |
|
|
11 |
A' |
1103 |
1074 |
0.974 |
225 |
1426 |
|
|
12 |
A' |
892 |
876 |
0.982 |
225 |
1427 |
|
|
13 |
A' |
867 |
859 |
0.991 |
225 |
1428 |
|
|
14 |
A' |
576 |
555 |
0.963 |
225 |
1429 |
|
|
15 |
A' |
211 |
210 |
0.996 |
225 |
1430 |
|
|
16 |
A" |
3218 |
3061 |
0.951 |
225 |
1431 |
|
|
17 |
A" |
3108 |
2965 |
0.954 |
225 |
1432 |
|
|
18 |
A" |
1504 |
1453 |
0.966 |
225 |
1433 |
|
|
19 |
A" |
1067 |
1110 |
1.040 |
225 |
1434 |
|
|
20 |
A" |
1030 |
1011 |
0.981 |
225 |
1435 |
|
|
21 |
A" |
903 |
842 |
0.933 |
225 |
1436 |
|
|
22 |
A" |
542 |
523 |
0.964 |
225 |
1437 |
|
|
23 |
A" |
343 |
322 |
0.939 |
225 |
1438 |
C4H6 |
Cyclobutene |
1 |
A1 |
3224 |
3060 |
0.949 |
226 |
1439 |
|
|
2 |
A1 |
3067 |
2935 |
0.957 |
226 |
1440 |
|
|
3 |
A1 |
1661 |
1570 |
0.945 |
226 |
1441 |
|
|
4 |
A1 |
1507 |
1450 |
0.962 |
226 |
1442 |
|
|
5 |
A1 |
1233 |
1276 |
1.035 |
226 |
1443 |
|
|
6 |
A1 |
1151 |
1186 |
1.030 |
226 |
1444 |
|
|
7 |
A1 |
1015 |
1113 |
1.096 |
226 |
1445 |
|
|
8 |
A1 |
919 |
886 |
0.964 |
226 |
1446 |
|
|
9 |
A2 |
3102 |
2955 |
0.953 |
226 |
1447 |
|
|
10 |
A2 |
1187 |
1276 |
1.075 |
226 |
1448 |
|
|
11 |
A2 |
1049 |
1081 |
1.030 |
226 |
1449 |
|
|
12 |
A2 |
940 |
850 |
0.904 |
226 |
1450 |
|
|
13 |
A2 |
321 |
325 |
1.014 |
226 |
1451 |
|
|
14 |
B1 |
3117 |
2955 |
0.948 |
226 |
1452 |
|
|
15 |
B1 |
1116 |
1074 |
0.963 |
226 |
1453 |
|
|
16 |
B1 |
878 |
846 |
0.964 |
226 |
1454 |
|
|
17 |
B1 |
652 |
635 |
0.974 |
226 |
1455 |
|
|
18 |
B2 |
3191 |
3047 |
0.955 |
226 |
1456 |
|
|
19 |
B2 |
3060 |
2916 |
0.953 |
226 |
1457 |
|
|
20 |
B2 |
1483 |
1427 |
0.962 |
226 |
1458 |
|
|
21 |
B2 |
1338 |
1294 |
0.967 |
226 |
1459 |
|
|
22 |
B2 |
1244 |
1214 |
0.976 |
226 |
1460 |
|
|
23 |
B2 |
918 |
888 |
0.967 |
226 |
1461 |
|
|
24 |
B2 |
869 |
740 |
0.852 |
226 |
1462 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3150 |
3010 |
0.955 |
227 |
1463 |
|
|
2 |
A1 |
3131 |
3002 |
0.959 |
227 |
1464 |
|
|
3 |
A1 |
1869 |
1743 |
0.932 |
227 |
1465 |
|
|
4 |
A1 |
1499 |
1437 |
0.959 |
227 |
1466 |
|
|
5 |
A1 |
1456 |
1410 |
0.969 |
227 |
1467 |
|
|
6 |
A1 |
1093 |
1036 |
0.948 |
227 |
1468 |
|
|
7 |
A1 |
1040 |
1002 |
0.963 |
227 |
1469 |
|
|
8 |
A1 |
765 |
723 |
0.945 |
227 |
1470 |
|
|
9 |
A2 |
3204 |
3051 |
0.952 |
227 |
1471 |
|
|
10 |
A2 |
1182 |
1144 |
0.968 |
227 |
1472 |
|
|
11 |
A2 |
969 |
937 |
0.967 |
227 |
1473 |
|
|
12 |
A2 |
621 |
616 |
0.992 |
227 |
1474 |
|
|
13 |
B1 |
3217 |
3071 |
0.955 |
227 |
1475 |
|
|
14 |
B1 |
1108 |
1072 |
0.967 |
227 |
1476 |
|
|
15 |
B1 |
916 |
889 |
0.971 |
227 |
1477 |
|
|
16 |
B1 |
764 |
748 |
0.979 |
227 |
1478 |
|
|
17 |
B1 |
293 |
360 |
1.230 |
227 |
1479 |
|
|
18 |
B2 |
3234 |
3086 |
0.954 |
227 |
1480 |
|
|
19 |
B2 |
3129 |
2999 |
0.958 |
227 |
1481 |
|
|
20 |
B2 |
1460 |
1353 |
0.927 |
227 |
1482 |
|
|
21 |
B2 |
1156 |
1174 |
1.015 |
227 |
1483 |
|
|
22 |
B2 |
1074 |
1125 |
1.047 |
227 |
1484 |
|
|
23 |
B2 |
917 |
792 |
0.864 |
227 |
1485 |
|
|
24 |
B2 |
355 |
290 |
0.816 |
227 |
1486 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3525 |
3345 |
0.949 |
228 |
1487 |
|
|
2 |
A' |
3115 |
2985 |
0.958 |
228 |
1488 |
|
|
3 |
A' |
3061 |
2840 |
0.928 |
228 |
1489 |
|
|
4 |
A' |
3040 |
2860 |
0.941 |
228 |
1490 |
|
|
5 |
A' |
1728 |
1622 |
0.939 |
228 |
1491 |
|
|
6 |
A' |
1523 |
1487 |
0.976 |
228 |
1492 |
|
|
7 |
A' |
1504 |
1465 |
0.974 |
228 |
1493 |
|
|
8 |
A' |
1425 |
1378 |
0.967 |
228 |
1494 |
|
|
9 |
A' |
1393 |
1397 |
1.003 |
228 |
1495 |
|
|
10 |
A' |
1171 |
1016 |
0.868 |
228 |
1496 |
|
|
11 |
A' |
1089 |
1086 |
0.997 |
228 |
1497 |
|
|
12 |
A' |
907 |
892 |
0.983 |
228 |
1498 |
|
|
13 |
A' |
880 |
773 |
0.878 |
228 |
1499 |
|
|
14 |
A' |
402 |
403 |
1.003 |
228 |
1500 |
|
|
15 |
A" |
3604 |
3412 |
0.947 |
228 |
1501 |
|
|
16 |
A" |
3120 |
2924 |
0.937 |
228 |
1502 |
|
|
17 |
A" |
3088 |
2906 |
0.941 |
228 |
1503 |
|
|
18 |
A" |
1515 |
1455 |
0.960 |
228 |
1504 |
|
|
19 |
A" |
1416 |
1238 |
0.874 |
228 |
1505 |
|
|
20 |
A" |
1286 |
1293 |
1.005 |
228 |
1506 |
|
|
21 |
A" |
1020 |
1117 |
1.095 |
228 |
1507 |
|
|
22 |
A" |
782 |
816 |
1.044 |
228 |
1508 |
|
|
23 |
A" |
302 |
259 |
0.858 |
228 |
1509 |
|
|
24 |
A" |
250 |
218 |
0.871 |
228 |
1510 |
C4H5N |
Pyrrole |
1 |
A1 |
3726 |
3531 |
0.948 |
229 |
1511 |
|
|
2 |
A1 |
3291 |
3149 |
0.957 |
229 |
1512 |
|
|
3 |
A1 |
3269 |
3128 |
0.957 |
229 |
1513 |
|
|
4 |
A1 |
1528 |
1472 |
0.963 |
229 |
1514 |
|
|
5 |
A1 |
1448 |
1401 |
0.967 |
229 |
1515 |
|
|
6 |
A1 |
1196 |
1148 |
0.960 |
229 |
1516 |
|
|
7 |
A1 |
1107 |
1075 |
0.970 |
229 |
1517 |
|
|
8 |
A1 |
1048 |
1017 |
0.970 |
229 |
1518 |
|
|
9 |
A1 |
906 |
882 |
0.973 |
229 |
1519 |
|
|
10 |
A2 |
872 |
864 |
0.990 |
229 |
1520 |
|
|
11 |
A2 |
682 |
692 |
1.016 |
229 |
1521 |
|
|
12 |
A2 |
635 |
614 |
0.966 |
229 |
1522 |
|
|
13 |
B1 |
825 |
827 |
1.002 |
229 |
1523 |
|
|
14 |
B1 |
730 |
722 |
0.990 |
229 |
1524 |
|
|
15 |
B1 |
648 |
621 |
0.958 |
229 |
1525 |
|
|
16 |
B1 |
480 |
475 |
0.989 |
229 |
1526 |
|
|
17 |
B2 |
3285 |
3143 |
0.957 |
229 |
1527 |
|
|
18 |
B2 |
3257 |
3119 |
0.958 |
229 |
1528 |
|
|
19 |
B2 |
1604 |
1519 |
0.947 |
229 |
1529 |
|
|
20 |
B2 |
1495 |
1424 |
0.953 |
229 |
1530 |
|
|
21 |
B2 |
1321 |
1288 |
0.975 |
229 |
1531 |
|
|
22 |
B2 |
1178 |
1134 |
0.962 |
229 |
1532 |
|
|
23 |
B2 |
1080 |
1049 |
0.971 |
229 |
1533 |
|
|
24 |
B2 |
884 |
866 |
0.980 |
229 |
1534 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3269 |
3120 |
0.954 |
230 |
1535 |
|
|
2 |
A' |
3198 |
3052 |
0.954 |
230 |
1536 |
|
|
3 |
A' |
3172 |
3044 |
0.960 |
230 |
1537 |
|
|
4 |
A' |
2382 |
2264 |
0.951 |
230 |
1538 |
|
|
5 |
A' |
1525 |
1468 |
0.963 |
230 |
1539 |
|
|
6 |
A' |
1404 |
1344 |
0.957 |
230 |
1540 |
|
|
7 |
A' |
1240 |
1195 |
0.964 |
230 |
1541 |
|
|
8 |
A' |
1153 |
1125 |
0.976 |
230 |
1542 |
|
|
9 |
A' |
1071 |
1049 |
0.979 |
230 |
1543 |
|
|
10 |
A' |
988 |
941 |
0.953 |
230 |
1544 |
|
|
11 |
A' |
824 |
808 |
0.980 |
230 |
1545 |
|
|
12 |
A' |
770 |
736 |
0.955 |
230 |
1546 |
|
|
13 |
A' |
542 |
527 |
0.972 |
230 |
1547 |
|
|
14 |
A' |
216 |
222 |
1.026 |
230 |
1548 |
|
|
15 |
A" |
3255 |
3094 |
0.951 |
230 |
1549 |
|
|
16 |
A" |
3167 |
3040 |
0.960 |
230 |
1550 |
|
|
17 |
A" |
1483 |
1442 |
0.973 |
230 |
1551 |
|
|
18 |
A" |
1215 |
1180 |
0.971 |
230 |
1552 |
|
|
19 |
A" |
1120 |
1070 |
0.956 |
230 |
1553 |
|
|
20 |
A" |
1090 |
1088 |
0.998 |
230 |
1554 |
|
|
21 |
A" |
925 |
880 |
0.952 |
230 |
1555 |
|
|
22 |
A" |
841 |
821 |
0.977 |
230 |
1556 |
|
|
23 |
A" |
566 |
543 |
0.960 |
230 |
1557 |
|
|
24 |
A" |
219 |
222 |
1.013 |
230 |
1558 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3232 |
3063 |
0.948 |
231 |
1559 |
|
|
2 |
A1 |
3206 |
3043 |
0.949 |
231 |
1560 |
|
|
3 |
A1 |
1642 |
1572 |
0.957 |
231 |
1561 |
|
|
4 |
A1 |
1503 |
1414 |
0.941 |
231 |
1562 |
|
|
5 |
A1 |
1219 |
1283 |
1.053 |
231 |
1563 |
|
|
6 |
A1 |
1184 |
1160 |
0.980 |
231 |
1564 |
|
|
7 |
A1 |
1112 |
1063 |
0.956 |
231 |
1565 |
|
|
8 |
A1 |
1036 |
964 |
0.930 |
231 |
1566 |
|
|
9 |
A1 |
685 |
619 |
0.904 |
231 |
1567 |
|
|
10 |
A2 |
1021 |
936 |
0.917 |
231 |
1568 |
|
|
11 |
A2 |
949 |
863 |
0.909 |
231 |
1569 |
|
|
12 |
A2 |
777 |
751 |
0.966 |
231 |
1570 |
|
|
13 |
A2 |
376 |
421 |
1.121 |
231 |
1571 |
|
|
14 |
B1 |
986 |
|
|
231 |
1572 |
|
|
15 |
B1 |
766 |
760 |
0.992 |
231 |
1573 |
|
|
16 |
B1 |
379 |
370 |
0.977 |
231 |
1574 |
|
|
17 |
B2 |
3219 |
3075 |
0.955 |
231 |
1575 |
|
|
18 |
B2 |
3201 |
3043 |
0.951 |
231 |
1576 |
|
|
19 |
B2 |
1640 |
1565 |
0.954 |
231 |
1577 |
|
|
20 |
B2 |
1456 |
1444 |
0.992 |
231 |
1578 |
|
|
21 |
B2 |
1328 |
1239 |
0.933 |
231 |
1579 |
|
|
22 |
B2 |
1096 |
1052 |
0.960 |
231 |
1580 |
|
|
23 |
B2 |
1062 |
1009 |
0.950 |
231 |
1581 |
|
|
24 |
B2 |
634 |
664 |
1.047 |
231 |
1582 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3233 |
3082 |
0.953 |
232 |
1583 |
|
|
2 |
A1 |
3201 |
3053 |
0.954 |
232 |
1584 |
|
|
3 |
A1 |
3182 |
3049 |
0.958 |
232 |
1585 |
|
|
4 |
A1 |
1648 |
1572 |
0.954 |
232 |
1586 |
|
|
5 |
A1 |
1457 |
1465 |
1.006 |
232 |
1587 |
|
|
6 |
A1 |
1178 |
1155 |
0.981 |
232 |
1588 |
|
|
7 |
A1 |
1092 |
1065 |
0.976 |
232 |
1589 |
|
|
8 |
A1 |
1026 |
969 |
0.944 |
232 |
1590 |
|
|
9 |
A1 |
700 |
679 |
0.969 |
232 |
1591 |
|
|
10 |
A2 |
1009 |
960 |
0.951 |
232 |
1592 |
|
|
11 |
A2 |
410 |
398 |
0.971 |
232 |
1593 |
|
|
12 |
B1 |
1032 |
1033 |
1.001 |
232 |
1594 |
|
|
13 |
B1 |
990 |
980 |
0.990 |
232 |
1595 |
|
|
14 |
B1 |
833 |
804 |
0.965 |
232 |
1596 |
|
|
15 |
B1 |
744 |
719 |
0.967 |
232 |
1597 |
|
|
16 |
B1 |
353 |
347 |
0.984 |
232 |
1598 |
|
|
17 |
B2 |
3186 |
3047 |
0.956 |
232 |
1599 |
|
|
18 |
B2 |
1648 |
1569 |
0.952 |
232 |
1600 |
|
|
19 |
B2 |
1515 |
1411 |
0.931 |
232 |
1601 |
|
|
20 |
B2 |
1405 |
1356 |
0.965 |
232 |
1602 |
|
|
21 |
B2 |
1284 |
1224 |
0.953 |
232 |
1603 |
|
|
22 |
B2 |
1243 |
1158 |
0.931 |
232 |
1604 |
|
|
23 |
B2 |
1108 |
1071 |
0.967 |
232 |
1605 |
|
|
24 |
B2 |
635 |
621 |
0.978 |
232 |
1606 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3206 |
3055 |
0.953 |
233 |
1607 |
|
|
2 |
Ag |
1655 |
1580 |
0.955 |
233 |
1608 |
|
|
3 |
Ag |
1267 |
1233 |
0.973 |
233 |
1609 |
|
|
4 |
Ag |
1058 |
1016 |
0.960 |
233 |
1610 |
|
|
5 |
Ag |
609 |
602 |
0.989 |
233 |
1611 |
|
|
6 |
Au |
1007 |
960 |
0.953 |
233 |
1612 |
|
|
7 |
Au |
351 |
350 |
0.998 |
233 |
1613 |
|
|
8 |
B1g |
952 |
927 |
0.973 |
233 |
1614 |
|
|
9 |
B1u |
3184 |
3012 |
0.946 |
233 |
1615 |
|
|
10 |
B1u |
1536 |
1483 |
0.965 |
233 |
1616 |
|
|
11 |
B1u |
1182 |
1130 |
0.956 |
233 |
1617 |
|
|
12 |
B1u |
1043 |
1018 |
0.976 |
233 |
1618 |
|
|
13 |
B2g |
995 |
983 |
0.988 |
233 |
1619 |
|
|
14 |
B2g |
786 |
756 |
0.962 |
233 |
1620 |
|
|
15 |
B2u |
3200 |
3069 |
0.959 |
233 |
1621 |
|
|
16 |
B2u |
1461 |
1411 |
0.966 |
233 |
1622 |
|
|
17 |
B2u |
1256 |
1149 |
0.915 |
233 |
1623 |
|
|
18 |
B2u |
1103 |
1063 |
0.964 |
233 |
1624 |
|
|
19 |
B3g |
3183 |
3040 |
0.955 |
233 |
1625 |
|
|
20 |
B3g |
1618 |
1525 |
0.942 |
233 |
1626 |
|
|
21 |
B3g |
1385 |
1346 |
0.972 |
233 |
1627 |
|
|
22 |
B3g |
726 |
704 |
0.970 |
233 |
1628 |
|
|
23 |
B3u |
807 |
785 |
0.973 |
233 |
1629 |
|
|
24 |
B3u |
435 |
418 |
0.962 |
233 |
1630 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3858 |
3675 |
0.952 |
234 |
1631 |
|
|
2 |
A |
3244 |
3102 |
0.956 |
234 |
1632 |
|
|
3 |
A |
3178 |
3022 |
0.951 |
234 |
1633 |
|
|
4 |
A |
3155 |
2995 |
0.949 |
234 |
1634 |
|
|
5 |
A |
3031 |
2934 |
0.968 |
234 |
1635 |
|
|
6 |
A |
2989 |
2866 |
0.959 |
234 |
1636 |
|
|
7 |
A |
1745 |
1654 |
0.948 |
234 |
1637 |
|
|
8 |
A |
1529 |
1453 |
0.950 |
234 |
1638 |
|
|
9 |
A |
1493 |
1414 |
0.947 |
234 |
1639 |
|
|
10 |
A |
1440 |
1384 |
0.961 |
234 |
1640 |
|
|
11 |
A |
1322 |
1320 |
0.998 |
234 |
1641 |
|
|
12 |
A |
1296 |
1293 |
0.998 |
234 |
1642 |
|
|
13 |
A |
1259 |
1191 |
0.946 |
234 |
1643 |
|
|
14 |
A |
1174 |
1132 |
0.964 |
234 |
1644 |
|
|
15 |
A |
1099 |
1110 |
1.010 |
234 |
1645 |
|
|
16 |
A |
1040 |
1038 |
0.998 |
234 |
1646 |
|
|
17 |
A |
977 |
995 |
1.018 |
234 |
1647 |
|
|
18 |
A |
950 |
919 |
0.967 |
234 |
1648 |
|
|
19 |
A |
930 |
885 |
0.952 |
234 |
1649 |
|
|
20 |
A |
656 |
606 |
0.924 |
234 |
1650 |
|
|
22 |
A |
330 |
377 |
1.145 |
234 |
1651 |
|
|
23 |
A |
270 |
277 |
1.027 |
234 |
1652 |
|
|
24 |
A |
118 |
188 |
1.590 |
234 |
1653 |
CH3CH2CHO |
Propanal |
1 |
A' |
3149 |
2981 |
0.947 |
235 |
1654 |
|
|
2 |
A' |
3075 |
2904 |
0.944 |
235 |
1655 |
|
|
3 |
A' |
3039 |
2895 |
0.953 |
235 |
1656 |
|
|
4 |
A' |
2906 |
2809 |
0.967 |
235 |
1657 |
|
|
5 |
A' |
1854 |
1743 |
0.940 |
235 |
1658 |
|
|
6 |
A' |
1521 |
1460 |
0.960 |
235 |
1659 |
|
|
7 |
A' |
1469 |
1416 |
0.964 |
235 |
1660 |
|
|
8 |
A' |
1438 |
1390 |
0.967 |
235 |
1661 |
|
|
9 |
A' |
1424 |
1376 |
0.966 |
235 |
1662 |
|
|
10 |
A' |
1382 |
1335 |
0.966 |
235 |
1663 |
|
|
11 |
A' |
1127 |
1093 |
0.970 |
235 |
1664 |
|
|
12 |
A' |
1014 |
993 |
0.979 |
235 |
1665 |
|
|
13 |
A' |
870 |
848 |
0.975 |
235 |
1666 |
|
|
14 |
A' |
681 |
668 |
0.980 |
235 |
1667 |
|
|
15 |
A' |
256 |
271 |
1.058 |
235 |
1668 |
|
|
16 |
A" |
3152 |
2992 |
0.949 |
235 |
1669 |
|
|
17 |
A" |
3064 |
2942 |
0.960 |
235 |
1670 |
|
|
18 |
A" |
1515 |
1451 |
0.958 |
235 |
1671 |
|
|
19 |
A" |
1295 |
1250 |
0.965 |
235 |
1672 |
|
|
20 |
A" |
1154 |
1118 |
0.969 |
235 |
1673 |
|
|
21 |
A" |
910 |
892 |
0.980 |
235 |
1674 |
|
|
22 |
A" |
671 |
660 |
0.984 |
235 |
1675 |
|
|
23 |
A" |
235 |
220 |
0.936 |
235 |
1676 |
|
|
24 |
A" |
136 |
135 |
0.991 |
235 |
1677 |
C3H6O |
Oxetane |
1 |
A1 |
3105 |
2959 |
0.953 |
236 |
1678 |
|
|
2 |
A1 |
3054 |
2930 |
0.959 |
236 |
1679 |
|
|
3 |
A1 |
1568 |
1473 |
0.940 |
236 |
1680 |
|
|
4 |
A1 |
1510 |
1461 |
0.968 |
236 |
1681 |
|
|
5 |
A1 |
1406 |
1342 |
0.954 |
236 |
1682 |
|
|
6 |
A1 |
1079 |
1134 |
1.051 |
236 |
1683 |
|
|
7 |
A1 |
962 |
1018 |
1.058 |
236 |
1684 |
|
|
8 |
A1 |
825 |
908 |
1.100 |
236 |
1685 |
|
|
9 |
A2 |
3092 |
3000 |
0.970 |
236 |
1686 |
|
|
10 |
A2 |
1255 |
1283 |
1.022 |
236 |
1687 |
|
|
11 |
A2 |
1186 |
1185 |
1.000 |
236 |
1688 |
|
|
12 |
A2 |
852 |
986 |
1.157 |
236 |
1689 |
|
|
13 |
B1 |
3162 |
3007 |
0.951 |
236 |
1690 |
|
|
14 |
B1 |
3090 |
2940 |
0.952 |
236 |
1691 |
|
|
15 |
B1 |
1215 |
1225 |
1.008 |
236 |
1692 |
|
|
16 |
B1 |
1170 |
1142 |
0.976 |
236 |
1693 |
|
|
17 |
B1 |
774 |
836 |
1.080 |
236 |
1694 |
|
|
18 |
B1 |
80 |
90 |
1.127 |
236 |
1695 |
|
|
19 |
B2 |
3043 |
2966 |
0.975 |
236 |
1696 |
|
|
20 |
B2 |
1538 |
1508 |
0.981 |
236 |
1697 |
|
|
21 |
B2 |
1334 |
1458 |
1.093 |
236 |
1698 |
|
|
22 |
B2 |
1280 |
1363 |
1.065 |
236 |
1699 |
|
|
23 |
B2 |
1078 |
1228 |
1.139 |
236 |
1700 |
|
|
24 |
B2 |
971 |
936 |
0.964 |
236 |
1701 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3175 |
3018 |
0.951 |
237 |
1702 |
|
|
2 |
A |
3136 |
2985 |
0.952 |
237 |
1703 |
|
|
3 |
A |
3086 |
2958 |
0.959 |
237 |
1704 |
|
|
4 |
A |
3025 |
2945 |
0.974 |
237 |
1705 |
|
|
5 |
A |
3020 |
2922 |
0.968 |
237 |
1706 |
|
|
6 |
A |
2385 |
2245 |
0.941 |
237 |
1707 |
|
|
7 |
A |
1529 |
1472 |
0.962 |
237 |
1708 |
|
|
8 |
A |
1512 |
1452 |
0.960 |
237 |
1709 |
|
|
9 |
A |
1502 |
1439 |
0.958 |
237 |
1710 |
|
|
10 |
A |
1487 |
1431 |
0.962 |
237 |
1711 |
|
|
11 |
A |
1408 |
1368 |
0.972 |
237 |
1712 |
|
|
12 |
A |
1334 |
1287 |
0.965 |
237 |
1713 |
|
|
13 |
A |
1240 |
1199 |
0.967 |
237 |
1714 |
|
|
14 |
A |
1198 |
1161 |
0.969 |
237 |
1715 |
|
|
15 |
A |
1183 |
1127 |
0.953 |
237 |
1716 |
|
|
16 |
A |
1043 |
1016 |
0.974 |
237 |
1717 |
|
|
17 |
A |
971 |
925 |
0.953 |
237 |
1718 |
|
|
18 |
A |
915 |
890 |
0.973 |
237 |
1719 |
|
|
19 |
A |
611 |
586 |
0.959 |
237 |
1720 |
|
|
20 |
A |
394 |
404 |
1.025 |
237 |
1721 |
|
|
21 |
A |
371 |
347 |
0.936 |
237 |
1722 |
|
|
22 |
A |
258 |
243 |
0.942 |
237 |
1723 |
|
|
23 |
A |
177 |
170 |
0.958 |
237 |
1724 |
|
|
24 |
A |
117 |
113 |
0.965 |
237 |
1725 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3174 |
2990 |
0.942 |
238 |
1726 |
|
|
2 |
A |
3159 |
2983 |
0.944 |
238 |
1727 |
|
|
3 |
A |
3071 |
2913 |
0.949 |
238 |
1728 |
|
|
4 |
A |
1492 |
1426 |
0.956 |
238 |
1729 |
|
|
5 |
A |
1485 |
1419 |
0.956 |
238 |
1730 |
|
|
6 |
A |
1385 |
1311 |
0.947 |
238 |
1731 |
|
|
7 |
A |
999 |
955 |
0.956 |
238 |
1732 |
|
|
8 |
A |
992 |
949 |
0.956 |
238 |
1733 |
|
|
9 |
A |
715 |
694 |
0.971 |
238 |
1734 |
|
|
10 |
A |
500 |
509 |
1.019 |
238 |
1735 |
|
|
11 |
A |
234 |
240 |
1.028 |
238 |
1736 |
|
|
12 |
A |
156 |
134 |
0.858 |
238 |
1737 |
|
|
13 |
A |
100 |
117 |
1.174 |
238 |
1738 |
|
|
14 |
B |
3174 |
2990 |
0.942 |
238 |
1739 |
|
|
15 |
B |
3159 |
2983 |
0.944 |
238 |
1740 |
|
|
16 |
B |
3069 |
2915 |
0.950 |
238 |
1741 |
|
|
17 |
B |
1497 |
1430 |
0.955 |
238 |
1742 |
|
|
18 |
B |
1478 |
1415 |
0.957 |
238 |
1743 |
|
|
19 |
B |
1377 |
1303 |
0.946 |
238 |
1744 |
|
|
20 |
B |
999 |
955 |
0.956 |
238 |
1745 |
|
|
21 |
B |
990 |
949 |
0.958 |
238 |
1746 |
|
|
22 |
B |
713 |
691 |
0.969 |
238 |
1747 |
|
|
23 |
B |
262 |
274 |
1.046 |
238 |
1748 |
|
|
24 |
B |
170 |
134 |
0.790 |
238 |
1749 |
C3H8 |
Propane |
1 |
A1 |
3124 |
2977 |
0.953 |
239 |
1750 |
|
|
2 |
A1 |
3049 |
2962 |
0.971 |
239 |
1751 |
|
|
3 |
A1 |
3048 |
2887 |
0.947 |
239 |
1752 |
|
|
4 |
A1 |
1532 |
1476 |
0.963 |
239 |
1753 |
|
|
5 |
A1 |
1509 |
1462 |
0.969 |
239 |
1754 |
|
|
6 |
A1 |
1436 |
1392 |
0.969 |
239 |
1755 |
|
|
7 |
A1 |
1189 |
1158 |
0.974 |
239 |
1756 |
|
|
8 |
A1 |
894 |
869 |
0.973 |
239 |
1757 |
|
|
9 |
A1 |
368 |
369 |
1.002 |
239 |
1758 |
|
|
10 |
A2 |
3112 |
2967 |
0.954 |
239 |
1759 |
|
|
11 |
A2 |
1510 |
1451 |
0.961 |
239 |
1760 |
|
|
12 |
A2 |
1333 |
1278 |
0.959 |
239 |
1761 |
|
|
13 |
A2 |
918 |
940 |
1.024 |
239 |
1762 |
|
|
14 |
A2 |
224 |
216 |
0.963 |
239 |
1763 |
|
|
15 |
B1 |
3123 |
2973 |
0.952 |
239 |
1764 |
|
|
16 |
B1 |
3073 |
2968 |
0.966 |
239 |
1765 |
|
|
17 |
B1 |
1530 |
1472 |
0.962 |
239 |
1766 |
|
|
18 |
B1 |
1222 |
1192 |
0.975 |
239 |
1767 |
|
|
19 |
B1 |
753 |
748 |
0.993 |
239 |
1768 |
|
|
20 |
B1 |
277 |
268 |
0.967 |
239 |
1769 |
|
|
21 |
B2 |
3122 |
2968 |
0.951 |
239 |
1770 |
|
|
22 |
B2 |
3046 |
2887 |
0.948 |
239 |
1771 |
|
|
23 |
B2 |
1518 |
1464 |
0.965 |
239 |
1772 |
|
|
24 |
B2 |
1423 |
1378 |
0.968 |
239 |
1773 |
|
|
25 |
B2 |
1377 |
1338 |
0.971 |
239 |
1774 |
|
|
26 |
B2 |
1084 |
1054 |
0.972 |
239 |
1775 |
|
|
27 |
B2 |
938 |
922 |
0.982 |
239 |
1776 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3253 |
3091 |
0.950 |
240 |
1777 |
|
|
2 |
A1 |
3227 |
3075 |
0.953 |
240 |
1778 |
|
|
3 |
A1 |
3047 |
2886 |
0.947 |
240 |
1779 |
|
|
4 |
A1 |
1582 |
1500 |
0.948 |
240 |
1780 |
|
|
5 |
A1 |
1431 |
1378 |
0.963 |
240 |
1781 |
|
|
6 |
A1 |
1415 |
1365 |
0.965 |
240 |
1782 |
|
|
7 |
A1 |
1139 |
1106 |
0.971 |
240 |
1783 |
|
|
8 |
A1 |
1033 |
994 |
0.962 |
240 |
1784 |
|
|
9 |
A1 |
945 |
915 |
0.968 |
240 |
1785 |
|
|
10 |
A1 |
820 |
802 |
0.978 |
240 |
1786 |
|
|
11 |
A2 |
1141 |
1100 |
0.964 |
240 |
1787 |
|
|
12 |
A2 |
953 |
941 |
0.987 |
240 |
1788 |
|
|
13 |
A2 |
713 |
700 |
0.982 |
240 |
1789 |
|
|
14 |
A2 |
524 |
516 |
0.984 |
240 |
1790 |
|
|
15 |
B1 |
3074 |
2900 |
0.943 |
240 |
1791 |
|
|
16 |
B1 |
952 |
925 |
0.972 |
240 |
1792 |
|
|
17 |
B1 |
920 |
891 |
0.968 |
240 |
1793 |
|
|
18 |
B1 |
684 |
664 |
0.971 |
240 |
1794 |
|
|
19 |
B1 |
343 |
350 |
1.021 |
240 |
1795 |
|
|
20 |
B2 |
3246 |
3105 |
0.957 |
240 |
1796 |
|
|
21 |
B2 |
3216 |
3043 |
0.946 |
240 |
1797 |
|
|
22 |
B2 |
1666 |
1580 |
0.948 |
240 |
1798 |
|
|
23 |
B2 |
1333 |
1292 |
0.969 |
240 |
1799 |
|
|
24 |
B2 |
1282 |
1239 |
0.967 |
240 |
1800 |
|
|
25 |
B2 |
1119 |
1090 |
0.974 |
240 |
1801 |
|
|
26 |
B2 |
988 |
959 |
0.971 |
240 |
1802 |
|
|
27 |
B2 |
821 |
805 |
0.980 |
240 |
1803 |
C5H5N |
Pyridine |
1 |
A1 |
3227 |
3094 |
0.959 |
241 |
1804 |
|
|
2 |
A1 |
3201 |
3073 |
0.960 |
241 |
1805 |
|
|
3 |
A1 |
3180 |
3030 |
0.953 |
241 |
1806 |
|
|
4 |
A1 |
1661 |
1584 |
0.954 |
241 |
1807 |
|
|
5 |
A1 |
1533 |
1483 |
0.968 |
241 |
1808 |
|
|
6 |
A1 |
1257 |
1218 |
0.969 |
241 |
1809 |
|
|
7 |
A1 |
1106 |
1072 |
0.969 |
241 |
1810 |
|
|
8 |
A1 |
1058 |
1032 |
0.975 |
241 |
1811 |
|
|
9 |
A1 |
1023 |
991 |
0.969 |
241 |
1812 |
|
|
10 |
A1 |
615 |
601 |
0.978 |
241 |
1813 |
|
|
11 |
A2 |
1007 |
980 |
0.973 |
241 |
1814 |
|
|
12 |
A2 |
902 |
880 |
0.976 |
241 |
1815 |
|
|
13 |
A2 |
385 |
373 |
0.969 |
241 |
1816 |
|
|
14 |
B1 |
1017 |
1007 |
0.990 |
241 |
1817 |
|
|
15 |
B1 |
964 |
937 |
0.972 |
241 |
1818 |
|
|
16 |
B1 |
770 |
744 |
0.966 |
241 |
1819 |
|
|
17 |
B1 |
721 |
700 |
0.971 |
241 |
1820 |
|
|
18 |
B1 |
421 |
403 |
0.958 |
241 |
1821 |
|
|
19 |
B2 |
3218 |
3087 |
0.959 |
241 |
1822 |
|
|
20 |
B2 |
3177 |
3042 |
0.958 |
241 |
1823 |
|
|
21 |
B2 |
1656 |
1581 |
0.955 |
241 |
1824 |
|
|
22 |
B2 |
1490 |
1442 |
0.967 |
241 |
1825 |
|
|
23 |
B2 |
1394 |
1362 |
0.977 |
241 |
1826 |
|
|
24 |
B2 |
1322 |
1227 |
0.928 |
241 |
1827 |
|
|
25 |
B2 |
1179 |
1143 |
0.970 |
241 |
1828 |
|
|
26 |
B2 |
1090 |
1079 |
0.990 |
241 |
1829 |
|
|
27 |
B2 |
672 |
652 |
0.970 |
241 |
1830 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3192 |
3058 |
0.958 |
242 |
1831 |
|
|
2 |
A' |
3156 |
2995 |
0.949 |
242 |
1832 |
|
|
3 |
A' |
3139 |
2963 |
0.944 |
242 |
1833 |
|
|
4 |
A' |
3051 |
2938 |
0.963 |
242 |
1834 |
|
|
5 |
A' |
2899 |
2805 |
0.968 |
242 |
1835 |
|
|
6 |
A' |
1821 |
1720 |
0.945 |
242 |
1836 |
|
|
7 |
A' |
1735 |
1649 |
0.950 |
242 |
1837 |
|
|
8 |
A' |
1504 |
1455 |
0.968 |
242 |
1838 |
|
|
9 |
A' |
1436 |
1391 |
0.969 |
242 |
1839 |
|
|
10 |
A' |
1426 |
1375 |
0.964 |
242 |
1840 |
|
|
11 |
A' |
1341 |
1304 |
0.972 |
242 |
1841 |
|
|
12 |
A' |
1287 |
1253 |
0.974 |
242 |
1842 |
|
|
13 |
A' |
1178 |
1147 |
0.973 |
242 |
1843 |
|
|
14 |
A' |
1114 |
1074 |
0.964 |
242 |
1844 |
|
|
15 |
A' |
952 |
973 |
1.022 |
242 |
1845 |
|
|
16 |
A' |
547 |
539 |
0.985 |
242 |
1846 |
|
|
17 |
A' |
462 |
464 |
1.004 |
242 |
1847 |
|
|
18 |
A' |
208 |
230 |
1.107 |
242 |
1848 |
|
|
19 |
A" |
3104 |
2980 |
0.960 |
242 |
1849 |
|
|
20 |
A" |
1497 |
1455 |
0.972 |
242 |
1850 |
|
|
21 |
A" |
1078 |
1042 |
0.966 |
242 |
1851 |
|
|
22 |
A" |
1038 |
973 |
0.938 |
242 |
1852 |
|
|
23 |
A" |
1011 |
928 |
0.918 |
242 |
1853 |
|
|
24 |
A" |
796 |
780 |
0.981 |
242 |
1854 |
|
|
25 |
A" |
301 |
295 |
0.981 |
242 |
1855 |
|
|
26 |
A" |
198 |
173 |
0.874 |
242 |
1856 |
|
|
27 |
A" |
129 |
122 |
0.947 |
242 |
1857 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3198 |
3035 |
0.949 |
243 |
1858 |
|
|
2 |
A' |
3195 |
3031 |
0.949 |
243 |
1859 |
|
|
3 |
A' |
3083 |
2966 |
0.962 |
243 |
1860 |
|
|
4 |
A' |
3080 |
2964 |
0.962 |
243 |
1861 |
|
|
5 |
A' |
1857 |
1771 |
0.954 |
243 |
1862 |
|
|
6 |
A' |
1522 |
1460 |
0.959 |
243 |
1863 |
|
|
7 |
A' |
1495 |
1440 |
0.963 |
243 |
1864 |
|
|
8 |
A' |
1490 |
1430 |
0.960 |
243 |
1865 |
|
|
9 |
A' |
1413 |
1375 |
0.973 |
243 |
1866 |
|
|
10 |
A' |
1298 |
1248 |
0.961 |
243 |
1867 |
|
|
11 |
A' |
1228 |
1159 |
0.944 |
243 |
1868 |
|
|
12 |
A' |
1105 |
1060 |
0.959 |
243 |
1869 |
|
|
13 |
A' |
1002 |
980 |
0.978 |
243 |
1870 |
|
|
14 |
A' |
883 |
844 |
0.956 |
243 |
1871 |
|
|
15 |
A' |
657 |
639 |
0.973 |
243 |
1872 |
|
|
16 |
A' |
426 |
429 |
1.007 |
243 |
1873 |
|
|
17 |
A' |
286 |
303 |
1.058 |
243 |
1874 |
|
|
18 |
A" |
3158 |
3005 |
0.951 |
243 |
1875 |
|
|
19 |
A" |
3151 |
2994 |
0.950 |
243 |
1876 |
|
|
20 |
A" |
1507 |
1460 |
0.969 |
243 |
1877 |
|
|
21 |
A" |
1494 |
1430 |
0.957 |
243 |
1878 |
|
|
22 |
A" |
1194 |
1187 |
0.994 |
243 |
1879 |
|
|
23 |
A" |
1076 |
1036 |
0.963 |
243 |
1880 |
|
|
24 |
A" |
614 |
607 |
0.989 |
243 |
1881 |
|
|
25 |
A" |
183 |
187 |
1.021 |
243 |
1882 |
|
|
26 |
A" |
133 |
136 |
1.019 |
243 |
1883 |
|
|
27 |
A" |
38 |
110 |
2.891 |
243 |
1884 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3160 |
3005 |
0.951 |
244 |
1885 |
|
|
2 |
A' |
3139 |
2955 |
0.941 |
244 |
1886 |
|
|
3 |
A' |
3113 |
2927 |
0.940 |
244 |
1887 |
|
|
4 |
A' |
3063 |
2878 |
0.940 |
244 |
1888 |
|
|
5 |
A' |
1527 |
1472 |
0.964 |
244 |
1889 |
|
|
6 |
A' |
1512 |
1454 |
0.961 |
244 |
1890 |
|
|
7 |
A' |
1437 |
1390 |
0.967 |
244 |
1891 |
|
|
8 |
A' |
1314 |
1270 |
0.966 |
244 |
1892 |
|
|
9 |
A' |
1198 |
1163 |
0.971 |
244 |
1893 |
|
|
10 |
A' |
1096 |
1065 |
0.972 |
244 |
1894 |
|
|
11 |
A' |
912 |
888 |
0.974 |
244 |
1895 |
|
|
12 |
A' |
633 |
633 |
0.999 |
244 |
1896 |
|
|
13 |
A' |
424 |
418 |
0.986 |
244 |
1897 |
|
|
14 |
A' |
341 |
336 |
0.987 |
244 |
1898 |
|
|
15 |
A' |
276 |
253 |
0.916 |
244 |
1899 |
|
|
16 |
A" |
3154 |
2997 |
0.950 |
244 |
1900 |
|
|
17 |
A" |
3131 |
2985 |
0.953 |
244 |
1901 |
|
|
18 |
A" |
3058 |
2947 |
0.964 |
244 |
1902 |
|
|
19 |
A" |
1504 |
1472 |
0.979 |
244 |
1903 |
|
|
20 |
A" |
1498 |
1454 |
0.970 |
244 |
1904 |
|
|
21 |
A" |
1424 |
1377 |
0.967 |
244 |
1905 |
|
|
22 |
A" |
1370 |
1334 |
0.973 |
244 |
1906 |
|
|
23 |
A" |
1168 |
1123 |
0.961 |
244 |
1907 |
|
|
24 |
A" |
963 |
972 |
1.009 |
244 |
1908 |
|
|
25 |
A" |
950 |
936 |
0.985 |
244 |
1909 |
|
|
26 |
A" |
324 |
317 |
0.979 |
244 |
1910 |
|
|
27 |
A" |
247 |
276 |
1.119 |
244 |
1911 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3198 |
3022 |
0.945 |
245 |
1912 |
|
|
2 |
A |
3164 |
3004 |
0.949 |
245 |
1913 |
|
|
3 |
A |
3154 |
2991 |
0.948 |
245 |
1914 |
|
|
4 |
A |
3135 |
2970 |
0.947 |
245 |
1915 |
|
|
5 |
A |
3125 |
2949 |
0.944 |
245 |
1916 |
|
|
6 |
A |
3074 |
2908 |
0.946 |
245 |
1917 |
|
|
7 |
A |
1517 |
1462 |
0.964 |
245 |
1918 |
|
|
8 |
A |
1510 |
1459 |
0.966 |
245 |
1919 |
|
|
9 |
A |
1493 |
1446 |
0.968 |
245 |
1920 |
|
|
10 |
A |
1433 |
1391 |
0.971 |
245 |
1921 |
|
|
11 |
A |
1394 |
1347 |
0.966 |
245 |
1922 |
|
|
12 |
A |
1341 |
1286 |
0.959 |
245 |
1923 |
|
|
13 |
A |
1289 |
1238 |
0.961 |
245 |
1924 |
|
|
14 |
A |
1241 |
1181 |
0.952 |
245 |
1925 |
|
|
15 |
A |
1167 |
1120 |
0.960 |
245 |
1926 |
|
|
16 |
A |
1110 |
1076 |
0.969 |
245 |
1927 |
|
|
17 |
A |
1045 |
1023 |
0.979 |
245 |
1928 |
|
|
18 |
A |
929 |
890 |
0.958 |
245 |
1929 |
|
|
19 |
A |
887 |
850 |
0.959 |
245 |
1930 |
|
|
20 |
A |
761 |
750 |
0.985 |
245 |
1931 |
|
|
21 |
A |
689 |
685 |
0.994 |
245 |
1932 |
|
|
22 |
A |
413 |
417 |
1.010 |
245 |
1933 |
|
|
23 |
A |
356 |
358 |
1.006 |
245 |
1934 |
|
|
24 |
A |
285 |
285 |
1.000 |
245 |
1935 |
|
|
25 |
A |
258 |
250 |
0.969 |
245 |
1936 |
|
|
26 |
A |
207 |
203 |
0.982 |
245 |
1937 |
|
|
27 |
A |
114 |
108 |
0.951 |
245 |
1938 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3155 |
2989 |
0.948 |
246 |
1939 |
|
|
2 |
A1 |
3142 |
2941 |
0.936 |
246 |
1940 |
|
|
3 |
A1 |
3044 |
2911 |
0.956 |
246 |
1941 |
|
|
4 |
A1 |
1749 |
1661 |
0.950 |
246 |
1942 |
|
|
5 |
A1 |
1521 |
1470 |
0.966 |
246 |
1943 |
|
|
6 |
A1 |
1457 |
1416 |
0.972 |
246 |
1944 |
|
|
7 |
A1 |
1426 |
1366 |
0.958 |
246 |
1945 |
|
|
8 |
A1 |
1092 |
1064 |
0.975 |
246 |
1946 |
|
|
9 |
A1 |
833 |
801 |
0.961 |
246 |
1947 |
|
|
10 |
A1 |
378 |
383 |
1.013 |
246 |
1948 |
|
|
11 |
A2 |
3091 |
2970 |
0.961 |
246 |
1949 |
|
|
12 |
A2 |
1489 |
1459 |
0.980 |
246 |
1950 |
|
|
13 |
A2 |
1030 |
1076 |
1.044 |
246 |
1951 |
|
|
14 |
A2 |
707 |
|
|
246 |
1952 |
|
|
15 |
A2 |
163 |
193 |
1.187 |
246 |
1953 |
|
|
16 |
B1 |
3094 |
2945 |
0.952 |
246 |
1954 |
|
|
17 |
B1 |
1510 |
1444 |
0.956 |
246 |
1955 |
|
|
18 |
B1 |
1114 |
1079 |
0.969 |
246 |
1956 |
|
|
19 |
B1 |
914 |
890 |
0.974 |
246 |
1957 |
|
|
20 |
B1 |
440 |
429 |
0.975 |
246 |
1958 |
|
|
21 |
B1 |
208 |
196 |
0.943 |
246 |
1959 |
|
|
22 |
B2 |
3237 |
3086 |
0.953 |
246 |
1960 |
|
|
23 |
B2 |
3140 |
2980 |
0.949 |
246 |
1961 |
|
|
24 |
B2 |
3039 |
2893 |
0.952 |
246 |
1962 |
|
|
25 |
B2 |
1503 |
1458 |
0.970 |
246 |
1963 |
|
|
26 |
B2 |
1429 |
1381 |
0.966 |
246 |
1964 |
|
|
27 |
B2 |
1315 |
1282 |
0.975 |
246 |
1965 |
|
|
28 |
B2 |
995 |
1043 |
1.048 |
246 |
1966 |
|
|
29 |
B2 |
971 |
974 |
1.004 |
246 |
1967 |
|
|
30 |
B2 |
439 |
430 |
0.979 |
246 |
1968 |
C6H6 |
Benzene |
1 |
A1g |
3223 |
3062 |
0.950 |
247 |
1969 |
|
|
2 |
A1g |
1029 |
992 |
0.964 |
247 |
1970 |
|
|
3 |
A2g |
1388 |
1326 |
0.956 |
247 |
1971 |
|
|
4 |
A2u |
689 |
673 |
0.976 |
247 |
1972 |
|
|
5 |
B1u |
3186 |
3068 |
0.963 |
247 |
1973 |
|
|
6 |
B1u |
1025 |
1010 |
0.985 |
247 |
1974 |
|
|
7 |
B2g |
1015 |
995 |
0.981 |
247 |
1975 |
|
|
8 |
B2g |
726 |
703 |
0.968 |
247 |
1976 |
|
|
9 |
B2u |
1370 |
1310 |
0.956 |
247 |
1977 |
|
|
10 |
B2u |
1182 |
1150 |
0.973 |
247 |
1978 |
|
|
11 |
E1g |
865 |
849 |
0.982 |
247 |
1979 |
|
|
12 |
E1u |
3212 |
3063 |
0.953 |
247 |
1980 |
|
|
13 |
E1u |
1530 |
1486 |
0.971 |
247 |
1981 |
|
|
14 |
E1u |
1073 |
1038 |
0.967 |
247 |
1982 |
|
|
15 |
E2g |
3196 |
3047 |
0.953 |
247 |
1983 |
|
|
16 |
E2g |
1670 |
1596 |
0.956 |
247 |
1984 |
|
|
17 |
E2g |
1207 |
1178 |
0.976 |
247 |
1985 |
|
|
18 |
E2g |
622 |
606 |
0.974 |
247 |
1986 |
|
|
19 |
E2u |
977 |
975 |
0.998 |
247 |
1987 |
|
|
20 |
E2u |
413 |
410 |
0.993 |
247 |
1988 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3250 |
3088 |
0.950 |
248 |
1989 |
|
|
2 |
A |
3179 |
3017 |
0.949 |
248 |
1990 |
|
|
3 |
A |
3161 |
3011 |
0.953 |
248 |
1991 |
|
|
4 |
A |
3158 |
2990 |
0.947 |
248 |
1992 |
|
|
5 |
A |
3143 |
2974 |
0.946 |
248 |
1993 |
|
|
6 |
A |
3126 |
2967 |
0.949 |
248 |
1994 |
|
|
7 |
A |
3065 |
2927 |
0.955 |
248 |
1995 |
|
|
8 |
A |
1733 |
1645 |
0.949 |
248 |
1996 |
|
|
9 |
A |
1512 |
1452 |
0.960 |
248 |
1997 |
|
|
10 |
A |
1505 |
1447 |
0.961 |
248 |
1998 |
|
|
11 |
A |
1469 |
1424 |
0.969 |
248 |
1999 |
|
|
12 |
A |
1426 |
1375 |
0.965 |
248 |
2000 |
|
|
13 |
A |
1346 |
1297 |
0.964 |
248 |
2001 |
|
|
14 |
A |
1327 |
1283 |
0.967 |
248 |
2002 |
|
|
15 |
A |
1286 |
1233 |
0.959 |
248 |
2003 |
|
|
16 |
A |
1211 |
1174 |
0.969 |
248 |
2004 |
|
|
17 |
A |
1126 |
1090 |
0.968 |
248 |
2005 |
|
|
18 |
A |
1055 |
1025 |
0.972 |
248 |
2006 |
|
|
19 |
A |
1032 |
988 |
0.958 |
248 |
2007 |
|
|
20 |
A |
990 |
966 |
0.976 |
248 |
2008 |
|
|
21 |
A |
957 |
931 |
0.973 |
248 |
2009 |
|
|
22 |
A |
886 |
864 |
0.975 |
248 |
2010 |
|
|
23 |
A |
728 |
708 |
0.972 |
248 |
2011 |
|
|
24 |
A |
642 |
625 |
0.974 |
248 |
2012 |
|
|
25 |
A |
462 |
456 |
0.986 |
248 |
2013 |
|
|
26 |
A |
323 |
319 |
0.988 |
248 |
2014 |
|
|
27 |
A |
305 |
305 |
1.001 |
248 |
2015 |
|
|
28 |
A |
283 |
283 |
1.000 |
248 |
2016 |
|
|
29 |
A |
257 |
245 |
0.952 |
248 |
2017 |
|
|
30 |
A |
103 |
92 |
0.890 |
248 |
2018 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3254 |
3095 |
0.951 |
249 |
2019 |
|
|
2 |
A' |
3247 |
3095 |
0.953 |
249 |
2020 |
|
|
3 |
A' |
3174 |
3000 |
0.945 |
249 |
2021 |
|
|
4 |
A' |
3164 |
3000 |
0.948 |
249 |
2022 |
|
|
5 |
A' |
3160 |
3000 |
0.949 |
249 |
2023 |
|
|
6 |
A' |
3148 |
2984 |
0.948 |
249 |
2024 |
|
|
7 |
A' |
3054 |
2904 |
0.951 |
249 |
2025 |
|
|
8 |
A' |
1731 |
1638 |
0.946 |
249 |
2026 |
|
|
9 |
A' |
1686 |
1607 |
0.953 |
249 |
2027 |
|
|
10 |
A' |
1521 |
1464 |
0.963 |
249 |
2028 |
|
|
11 |
A' |
1471 |
1420 |
0.965 |
249 |
2029 |
|
|
12 |
A' |
1447 |
1389 |
0.960 |
249 |
2030 |
|
|
13 |
A' |
1426 |
1363 |
0.956 |
249 |
2031 |
|
|
14 |
A' |
1349 |
1313 |
0.973 |
249 |
2032 |
|
|
15 |
A' |
1334 |
1303 |
0.977 |
249 |
2033 |
|
|
16 |
A' |
1098 |
1072 |
0.977 |
249 |
2034 |
|
|
17 |
A' |
1018 |
1012 |
0.994 |
249 |
2035 |
|
|
18 |
A' |
976 |
953 |
0.977 |
249 |
2036 |
|
|
19 |
A' |
807 |
770 |
0.954 |
249 |
2037 |
|
|
20 |
A' |
536 |
530 |
0.988 |
249 |
2038 |
|
|
21 |
A' |
428 |
396 |
0.926 |
249 |
2039 |
|
|
22 |
A' |
278 |
196 |
0.705 |
249 |
2040 |
|
|
23 |
A" |
3111 |
2949 |
0.948 |
249 |
2041 |
|
|
24 |
A" |
1503 |
1451 |
0.966 |
249 |
2042 |
|
|
25 |
A" |
1080 |
1034 |
0.958 |
249 |
2043 |
|
|
26 |
A" |
1031 |
991 |
0.961 |
249 |
2044 |
|
|
27 |
A" |
930 |
907 |
0.975 |
249 |
2045 |
|
|
28 |
A" |
920 |
907 |
0.986 |
249 |
2046 |
|
|
29 |
A" |
792 |
757 |
0.956 |
249 |
2047 |
|
|
30 |
A" |
646 |
615 |
0.952 |
249 |
2048 |
|
|
31 |
A" |
407 |
290 |
0.712 |
249 |
2049 |
|
|
32 |
A" |
211 |
153 |
0.725 |
249 |
2050 |
C5H8 |
Cyclopentene |
1 |
A' |
3223 |
3066 |
0.951 |
250 |
2051 |
|
|
2 |
A' |
3127 |
2958 |
0.946 |
250 |
2052 |
|
|
3 |
A' |
3091 |
2916 |
0.944 |
250 |
2053 |
|
|
4 |
A' |
3069 |
2902 |
0.946 |
250 |
2054 |
|
|
5 |
A' |
3030 |
2852 |
0.941 |
250 |
2055 |
|
|
6 |
A' |
1707 |
1616 |
0.947 |
250 |
2056 |
|
|
7 |
A' |
1525 |
1467 |
0.962 |
250 |
2057 |
|
|
8 |
A' |
1498 |
1449 |
0.968 |
250 |
2058 |
|
|
9 |
A' |
1345 |
1302 |
0.968 |
250 |
2059 |
|
|
10 |
A' |
1248 |
1284 |
1.029 |
250 |
2060 |
|
|
11 |
A' |
1136 |
1213 |
1.068 |
250 |
2061 |
|
|
12 |
A' |
1076 |
1048 |
0.974 |
250 |
2062 |
|
|
13 |
A' |
994 |
964 |
0.970 |
250 |
2063 |
|
|
14 |
A' |
928 |
962 |
1.037 |
250 |
2064 |
|
|
15 |
A' |
834 |
904 |
1.084 |
250 |
2065 |
|
|
16 |
A' |
718 |
692 |
0.964 |
250 |
2066 |
|
|
17 |
A' |
610 |
603 |
0.988 |
250 |
2067 |
|
|
18 |
A' |
154 |
254 |
1.651 |
250 |
2068 |
|
|
19 |
A" |
3197 |
3039 |
0.951 |
250 |
2069 |
|
|
20 |
A" |
3083 |
2967 |
0.963 |
250 |
2070 |
|
|
21 |
A" |
3031 |
2927 |
0.966 |
250 |
2071 |
|
|
22 |
A" |
1505 |
1467 |
0.975 |
250 |
2072 |
|
|
23 |
A" |
1395 |
1432 |
1.027 |
250 |
2073 |
|
|
24 |
A" |
1340 |
1356 |
1.012 |
250 |
2074 |
|
|
25 |
A" |
1317 |
1302 |
0.989 |
250 |
2075 |
|
|
26 |
A" |
1243 |
1297 |
1.043 |
250 |
2076 |
|
|
27 |
A" |
1169 |
1207 |
1.032 |
250 |
2077 |
|
|
28 |
A" |
1058 |
1113 |
1.052 |
250 |
2078 |
|
|
29 |
A" |
973 |
1082 |
1.112 |
250 |
2079 |
|
|
30 |
A" |
934 |
937 |
1.003 |
250 |
2080 |
|
|
31 |
A" |
905 |
800 |
0.884 |
250 |
2081 |
|
|
32 |
A" |
789 |
702 |
0.890 |
250 |
2082 |
|
|
33 |
A" |
395 |
387 |
0.979 |
250 |
2083 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3241 |
3080 |
0.950 |
251 |
2084 |
|
|
2 |
A |
3165 |
3012 |
0.952 |
251 |
2085 |
|
|
3 |
A |
3151 |
3012 |
0.956 |
251 |
2086 |
|
|
4 |
A |
3042 |
2900 |
0.953 |
251 |
2087 |
|
|
5 |
A |
1740 |
1644 |
0.945 |
251 |
2088 |
|
|
6 |
A |
1490 |
1433 |
0.962 |
251 |
2089 |
|
|
7 |
A |
1458 |
1413 |
0.969 |
251 |
2090 |
|
|
8 |
A |
1330 |
1295 |
0.974 |
251 |
2091 |
|
|
9 |
A |
1280 |
1263 |
0.987 |
251 |
2092 |
|
|
10 |
A |
1097 |
1120 |
1.021 |
251 |
2093 |
|
|
11 |
A |
1037 |
995 |
0.960 |
251 |
2094 |
|
|
12 |
A |
944 |
918 |
0.972 |
251 |
2095 |
|
|
13 |
A |
924 |
876 |
0.948 |
251 |
2096 |
|
|
14 |
A |
687 |
562 |
0.818 |
251 |
2097 |
|
|
15 |
A |
374 |
421 |
1.124 |
251 |
2098 |
|
|
16 |
A |
301 |
137 |
0.455 |
251 |
2099 |
|
|
17 |
A |
89 |
102 |
1.148 |
251 |
2100 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3157 |
2987 |
0.946 |
252 |
2101 |
|
|
2 |
A1 |
3134 |
2941 |
0.938 |
252 |
2102 |
|
|
3 |
A1 |
3045 |
2916 |
0.958 |
252 |
2103 |
|
|
4 |
A1 |
2088 |
1996 |
0.956 |
252 |
2104 |
|
|
5 |
A1 |
1535 |
1470 |
0.958 |
252 |
2105 |
|
|
6 |
A1 |
1484 |
1438 |
0.969 |
252 |
2106 |
|
|
7 |
A1 |
1429 |
1369 |
0.958 |
252 |
2107 |
|
|
8 |
A1 |
1330 |
1286 |
0.967 |
252 |
2108 |
|
|
9 |
A1 |
1037 |
973 |
0.939 |
252 |
2109 |
|
|
10 |
A1 |
751 |
726 |
0.967 |
252 |
2110 |
|
|
11 |
A1 |
340 |
349 |
1.027 |
252 |
2111 |
|
|
12 |
A2 |
3096 |
2941 |
0.950 |
252 |
2112 |
|
|
13 |
A2 |
1493 |
1470 |
0.985 |
252 |
2113 |
|
|
14 |
A2 |
1011 |
985 |
0.974 |
252 |
2114 |
|
|
15 |
A2 |
620 |
617 |
0.995 |
252 |
2115 |
|
|
17 |
B1 |
3207 |
3051 |
0.951 |
252 |
2116 |
|
|
18 |
B1 |
3097 |
2941 |
0.950 |
252 |
2117 |
|
|
19 |
B1 |
1512 |
1470 |
0.972 |
252 |
2118 |
|
|
20 |
B1 |
1106 |
1068 |
0.965 |
252 |
2119 |
|
|
21 |
B1 |
1033 |
1004 |
0.972 |
252 |
2120 |
|
|
22 |
B1 |
461 |
443 |
0.960 |
252 |
2121 |
|
|
23 |
B1 |
263 |
187 |
0.712 |
252 |
2122 |
|
|
25 |
B2 |
3155 |
2941 |
0.932 |
252 |
2123 |
|
|
26 |
B2 |
3041 |
2916 |
0.959 |
252 |
2124 |
|
|
27 |
B2 |
1501 |
1470 |
0.979 |
252 |
2125 |
|
|
28 |
B2 |
1413 |
1369 |
0.969 |
252 |
2126 |
|
|
29 |
B2 |
1235 |
1191 |
0.964 |
252 |
2127 |
|
|
30 |
B2 |
978 |
968 |
0.990 |
252 |
2128 |
|
|
31 |
B2 |
869 |
848 |
0.975 |
252 |
2129 |
|
|
32 |
B2 |
610 |
554 |
0.908 |
252 |
2130 |
|
|
33 |
B2 |
184 |
187 |
1.014 |
252 |
2131 |
C5H8 |
Spiropentane |
1 |
A1 |
3141 |
3000 |
0.955 |
253 |
2132 |
|
|
2 |
A1 |
1509 |
1423 |
0.943 |
253 |
2133 |
|
|
3 |
A1 |
1107 |
1160 |
1.047 |
253 |
2134 |
|
|
4 |
A1 |
1060 |
1037 |
0.978 |
253 |
2135 |
|
|
5 |
A1 |
620 |
588 |
0.948 |
253 |
2136 |
|
|
6 |
A2 |
3215 |
3070 |
0.955 |
253 |
2137 |
|
|
7 |
A2 |
1184 |
1174 |
0.991 |
253 |
2138 |
|
|
8 |
A2 |
846 |
919 |
1.086 |
253 |
2139 |
|
|
9 |
B1 |
3214 |
3066 |
0.954 |
253 |
2140 |
|
|
10 |
B1 |
1196 |
1166 |
0.975 |
253 |
2141 |
|
|
11 |
B1 |
1036 |
888 |
0.857 |
253 |
2142 |
|
|
12 |
B1 |
295 |
300 |
1.016 |
253 |
2143 |
|
|
13 |
B2 |
3140 |
3000 |
0.956 |
253 |
2144 |
|
|
14 |
B2 |
1616 |
1521 |
0.941 |
253 |
2145 |
|
|
15 |
B2 |
1450 |
1415 |
0.976 |
253 |
2146 |
|
|
16 |
B2 |
1016 |
990 |
0.975 |
253 |
2147 |
|
|
17 |
B2 |
936 |
872 |
0.932 |
253 |
2148 |
|
|
18 |
E |
3229 |
3067 |
0.950 |
253 |
2149 |
|
|
19 |
E |
3135 |
2985 |
0.952 |
253 |
2150 |
|
|
20 |
E |
1474 |
1431 |
0.971 |
253 |
2151 |
|
|
21 |
E |
1198 |
1150 |
0.960 |
253 |
2152 |
|
|
22 |
E |
1078 |
1049 |
0.973 |
253 |
2153 |
|
|
23 |
E |
906 |
870 |
0.960 |
253 |
2154 |
|
|
24 |
E |
798 |
780 |
0.977 |
253 |
2155 |
|
|
25 |
E |
307 |
308 |
1.004 |
253 |
2156 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3089 |
2953 |
0.956 |
254 |
2157 |
|
|
2 |
A1 |
2946 |
2775 |
0.942 |
254 |
2158 |
|
|
3 |
A1 |
1524 |
1459 |
0.957 |
254 |
2159 |
|
|
4 |
A1 |
1502 |
1444 |
0.961 |
254 |
2160 |
|
|
5 |
A1 |
1221 |
1186 |
0.972 |
254 |
2161 |
|
|
6 |
A1 |
864 |
828 |
0.959 |
254 |
2162 |
|
|
7 |
A1 |
357 |
367 |
1.028 |
254 |
2163 |
|
|
8 |
A2 |
3129 |
2977 |
0.951 |
254 |
2164 |
|
|
9 |
A2 |
1507 |
1453 |
0.964 |
254 |
2165 |
|
|
10 |
A2 |
1082 |
1046 |
0.967 |
254 |
2166 |
|
|
11 |
A2 |
255 |
255 |
0.998 |
254 |
2167 |
|
|
12 |
E |
3134 |
2981 |
0.951 |
254 |
2168 |
|
|
13 |
E |
3085 |
2953 |
0.957 |
254 |
2169 |
|
|
14 |
E |
2930 |
2776 |
0.947 |
254 |
2170 |
|
|
15 |
E |
1533 |
1471 |
0.959 |
254 |
2171 |
|
|
16 |
E |
1501 |
1444 |
0.962 |
254 |
2172 |
|
|
17 |
E |
1459 |
1409 |
0.966 |
254 |
2173 |
|
|
18 |
E |
1332 |
1275 |
0.957 |
254 |
2174 |
|
|
19 |
E |
1135 |
1103 |
0.972 |
254 |
2175 |
|
|
20 |
E |
1085 |
1043 |
0.962 |
254 |
2176 |
|
|
21 |
E |
425 |
424 |
0.997 |
254 |
2177 |
|
|
22 |
E |
275 |
281 |
1.020 |
254 |
2178 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3138 |
2974 |
0.948 |
255 |
2179 |
|
|
2 |
A' |
3130 |
2953 |
0.943 |
255 |
2180 |
|
|
3 |
A' |
3091 |
2940 |
0.951 |
255 |
2181 |
|
|
4 |
A' |
3055 |
2876 |
0.941 |
255 |
2182 |
|
|
5 |
A' |
2873 |
2757 |
0.960 |
255 |
2183 |
|
|
6 |
A' |
1857 |
1752 |
0.943 |
255 |
2184 |
|
|
7 |
A' |
1532 |
1474 |
0.962 |
255 |
2185 |
|
|
8 |
A' |
1525 |
1449 |
0.950 |
255 |
2186 |
|
|
9 |
A' |
1443 |
1399 |
0.969 |
255 |
2187 |
|
|
10 |
A' |
1428 |
1381 |
0.967 |
255 |
2188 |
|
|
11 |
A' |
1327 |
1329 |
1.001 |
255 |
2189 |
|
|
12 |
A' |
1196 |
1182 |
0.988 |
255 |
2190 |
|
|
13 |
A' |
1193 |
1138 |
0.954 |
255 |
2191 |
|
|
14 |
A' |
938 |
922 |
0.983 |
255 |
2192 |
|
|
15 |
A' |
857 |
800 |
0.933 |
255 |
2193 |
|
|
16 |
A' |
552 |
632 |
1.144 |
255 |
2194 |
|
|
17 |
A' |
357 |
395 |
1.105 |
255 |
2195 |
|
|
18 |
A' |
332 |
272 |
0.820 |
255 |
2196 |
|
|
19 |
A' |
235 |
212 |
0.902 |
255 |
2197 |
|
|
20 |
A" |
3137 |
2990 |
0.953 |
255 |
2198 |
|
|
21 |
A" |
3123 |
2982 |
0.955 |
255 |
2199 |
|
|
22 |
A" |
3053 |
2885 |
0.945 |
255 |
2200 |
|
|
23 |
A" |
1511 |
1467 |
0.971 |
255 |
2201 |
|
|
24 |
A" |
1506 |
1452 |
0.964 |
255 |
2202 |
|
|
25 |
A" |
1417 |
1437 |
1.014 |
255 |
2203 |
|
|
26 |
A" |
1358 |
1290 |
0.950 |
255 |
2204 |
|
|
27 |
A" |
1154 |
1109 |
0.961 |
255 |
2205 |
|
|
28 |
A" |
1003 |
965 |
0.962 |
255 |
2206 |
|
|
29 |
A" |
964 |
942 |
0.977 |
255 |
2207 |
|
|
30 |
A" |
942 |
933 |
0.990 |
255 |
2208 |
|
|
31 |
A" |
330 |
351 |
1.062 |
255 |
2209 |
|
|
32 |
A" |
216 |
227 |
1.049 |
255 |
2210 |
|
|
33 |
A" |
69 |
75 |
1.093 |
255 |
2211 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
428 |
1442 |
3.370 |
256 |
2212 |
|
|
|
Ag |
856 |
1151 |
1.345 |
256 |
2213 |
|
|
|
Au |
1306 |
1257 |
0.963 |
256 |
2214 |
|
|
|
Bg |
1519 |
1300 |
0.856 |
256 |
2215 |
|
|
|
Bu |
3043 |
2870 |
0.943 |
256 |
2216 |
|
|
|
Bu |
3049 |
2853 |
0.936 |
256 |
2217 |
|
|
|
Bu |
3124 |
271 |
0.087 |
256 |
2218 |
C4H9N |
Pyrrolidine |
1 |
A' |
3571 |
3356 |
0.940 |
257 |
2219 |
|
|
2 |
A' |
3143 |
2975 |
0.947 |
257 |
2220 |
|
|
3 |
A' |
3105 |
2927 |
0.943 |
257 |
2221 |
|
|
4 |
A' |
3091 |
2889 |
0.935 |
257 |
2222 |
|
|
5 |
A' |
2948 |
2824 |
0.958 |
257 |
2223 |
|
|
6 |
A' |
1551 |
1484 |
0.957 |
257 |
2224 |
|
|
7 |
A' |
1523 |
1447 |
0.950 |
257 |
2225 |
|
|
8 |
A' |
1415 |
1292 |
0.913 |
257 |
2226 |
|
|
9 |
A' |
1337 |
1273 |
0.952 |
257 |
2227 |
|
|
10 |
A' |
1267 |
1228 |
0.969 |
257 |
2228 |
|
|
11 |
A' |
1247 |
1181 |
0.947 |
257 |
2229 |
|
|
12 |
A' |
1089 |
974 |
0.895 |
257 |
2230 |
|
|
13 |
A' |
1024 |
920 |
0.899 |
257 |
2231 |
|
|
14 |
A' |
967 |
901 |
0.932 |
257 |
2232 |
|
|
15 |
A' |
926 |
871 |
0.941 |
257 |
2233 |
|
|
16 |
A' |
897 |
832 |
0.928 |
257 |
2234 |
|
|
17 |
A' |
777 |
789 |
1.016 |
257 |
2235 |
|
|
18 |
A' |
585 |
579 |
0.990 |
257 |
2236 |
|
|
19 |
A' |
305 |
299 |
0.981 |
257 |
2237 |
|
|
20 |
A" |
3121 |
2967 |
0.951 |
257 |
2238 |
|
|
21 |
A" |
3098 |
2916 |
0.941 |
257 |
2239 |
|
|
22 |
A" |
3082 |
2879 |
0.934 |
257 |
2240 |
|
|
23 |
A" |
2943 |
2818 |
0.957 |
257 |
2241 |
|
|
24 |
A" |
1531 |
1459 |
0.953 |
257 |
2242 |
|
|
25 |
A" |
1501 |
1412 |
0.940 |
257 |
2243 |
|
|
26 |
A" |
1464 |
1341 |
0.916 |
257 |
2244 |
|
|
27 |
A" |
1345 |
1268 |
0.943 |
257 |
2245 |
|
|
28 |
A" |
1323 |
1211 |
0.915 |
257 |
2246 |
|
|
29 |
A" |
1266 |
1203 |
0.951 |
257 |
2247 |
|
|
30 |
A" |
1220 |
1171 |
0.960 |
257 |
2248 |
|
|
31 |
A" |
1157 |
1099 |
0.950 |
257 |
2249 |
|
|
32 |
A" |
1123 |
1023 |
0.911 |
257 |
2250 |
|
|
33 |
A" |
953 |
883 |
0.926 |
257 |
2251 |
|
|
34 |
A" |
884 |
848 |
0.959 |
257 |
2252 |
|
|
35 |
A" |
641 |
600 |
0.936 |
257 |
2253 |
|
|
36 |
A" |
76 |
65 |
0.858 |
257 |
2254 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3520 |
3345 |
0.950 |
258 |
2255 |
|
|
2 |
A' |
3158 |
2975 |
0.942 |
258 |
2256 |
|
|
3 |
A' |
3124 |
2950 |
0.944 |
258 |
2257 |
|
|
4 |
A' |
3095 |
2918 |
0.943 |
258 |
2258 |
|
|
5 |
A' |
3076 |
2905 |
0.944 |
258 |
2259 |
|
|
6 |
A' |
2988 |
2887 |
0.966 |
258 |
2260 |
|
|
7 |
A' |
1718 |
1614 |
0.939 |
258 |
2261 |
|
|
8 |
A' |
1520 |
1467 |
0.965 |
258 |
2262 |
|
|
9 |
A' |
1490 |
1443 |
0.968 |
258 |
2263 |
|
|
10 |
A' |
1401 |
1390 |
0.992 |
258 |
2264 |
|
|
11 |
A' |
1304 |
1291 |
0.990 |
258 |
2265 |
|
|
12 |
A' |
1259 |
1237 |
0.983 |
258 |
2266 |
|
|
13 |
A' |
1177 |
1137 |
0.966 |
258 |
2267 |
|
|
14 |
A' |
1104 |
1120 |
1.014 |
258 |
2268 |
|
|
15 |
A' |
986 |
1050 |
1.065 |
258 |
2269 |
|
|
16 |
A' |
904 |
965 |
1.068 |
258 |
2270 |
|
|
17 |
A' |
889 |
788 |
0.887 |
258 |
2271 |
|
|
18 |
A' |
831 |
752 |
0.905 |
258 |
2272 |
|
|
19 |
A' |
673 |
606 |
0.900 |
258 |
2273 |
|
|
20 |
A' |
406 |
448 |
1.104 |
258 |
2274 |
|
|
21 |
A' |
164 |
174 |
1.063 |
258 |
2275 |
|
|
22 |
A" |
3600 |
3411 |
0.948 |
258 |
2276 |
|
|
23 |
A" |
3129 |
2970 |
0.949 |
258 |
2277 |
|
|
24 |
A" |
3072 |
2957 |
0.962 |
258 |
2278 |
|
|
25 |
A" |
1484 |
1452 |
0.978 |
258 |
2279 |
|
|
26 |
A" |
1368 |
1213 |
0.887 |
258 |
2280 |
|
|
27 |
A" |
1289 |
1185 |
0.919 |
258 |
2281 |
|
|
28 |
A" |
1271 |
1168 |
0.919 |
258 |
2282 |
|
|
29 |
A" |
1241 |
1036 |
0.835 |
258 |
2283 |
|
|
30 |
A" |
1181 |
|
|
258 |
2284 |
|
|
31 |
A" |
1049 |
925 |
0.882 |
258 |
2285 |
|
|
32 |
A" |
964 |
912 |
0.946 |
258 |
2286 |
|
|
33 |
A" |
938 |
883 |
0.941 |
258 |
2287 |
|
|
34 |
A" |
779 |
788 |
1.012 |
258 |
2288 |
|
|
35 |
A" |
396 |
354 |
0.894 |
258 |
2289 |
|
|
36 |
A" |
288 |
240 |
0.832 |
258 |
2290 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3128 |
2968 |
0.949 |
259 |
2291 |
|
|
2 |
Ag |
3007 |
2856 |
0.950 |
259 |
2292 |
|
|
3 |
Ag |
1510 |
1444 |
0.956 |
259 |
2293 |
|
|
4 |
Ag |
1442 |
1397 |
0.969 |
259 |
2294 |
|
|
5 |
Ag |
1354 |
1305 |
0.964 |
259 |
2295 |
|
|
6 |
Ag |
1159 |
1128 |
0.973 |
259 |
2296 |
|
|
7 |
Ag |
1047 |
1015 |
0.969 |
259 |
2297 |
|
|
8 |
Ag |
867 |
837 |
0.965 |
259 |
2298 |
|
|
9 |
Ag |
438 |
435 |
0.994 |
259 |
2299 |
|
|
10 |
Ag |
421 |
424 |
1.006 |
259 |
2300 |
|
|
11 |
Au |
3126 |
2970 |
0.950 |
259 |
2301 |
|
|
12 |
Au |
2999 |
2863 |
0.955 |
259 |
2302 |
|
|
13 |
Au |
1495 |
1449 |
0.969 |
259 |
2303 |
|
|
14 |
Au |
1408 |
1369 |
0.972 |
259 |
2304 |
|
|
15 |
Au |
1303 |
1256 |
0.964 |
259 |
2305 |
|
|
16 |
Au |
1181 |
1136 |
0.962 |
259 |
2306 |
|
|
17 |
Au |
1122 |
1086 |
0.968 |
259 |
2307 |
|
|
18 |
Au |
910 |
881 |
0.968 |
259 |
2308 |
|
|
19 |
Au |
247 |
288 |
1.168 |
259 |
2309 |
|
|
20 |
Bg |
3125 |
2968 |
0.950 |
259 |
2310 |
|
|
21 |
Bg |
3010 |
2856 |
0.949 |
259 |
2311 |
|
|
22 |
Bg |
1493 |
1459 |
0.977 |
259 |
2312 |
|
|
23 |
Bg |
1372 |
1335 |
0.973 |
259 |
2313 |
|
|
24 |
Bg |
1260 |
1217 |
0.966 |
259 |
2314 |
|
|
25 |
Bg |
1170 |
1110 |
0.949 |
259 |
2315 |
|
|
26 |
Bg |
873 |
853 |
0.977 |
259 |
2316 |
|
|
27 |
Bg |
487 |
490 |
1.007 |
259 |
2317 |
|
|
28 |
Bu |
3126 |
2970 |
0.950 |
259 |
2318 |
|
|
29 |
Bu |
3016 |
2863 |
0.949 |
259 |
2319 |
|
|
30 |
Bu |
1504 |
1457 |
0.969 |
259 |
2320 |
|
|
31 |
Bu |
1425 |
1378 |
0.967 |
259 |
2321 |
|
|
32 |
Bu |
1341 |
1291 |
0.962 |
259 |
2322 |
|
|
33 |
Bu |
1080 |
1052 |
0.974 |
259 |
2323 |
|
|
34 |
Bu |
918 |
889 |
0.969 |
259 |
2324 |
|
|
35 |
Bu |
610 |
610 |
1.000 |
259 |
2325 |
|
|
36 |
Bu |
271 |
274 |
1.011 |
259 |
2326 |
C8H8 |
cubane |
1 |
A1g |
3156 |
2995 |
0.949 |
260 |
2327 |
|
|
2 |
A1g |
1046 |
1002 |
0.958 |
260 |
2328 |
|
|
3 |
A2u |
3117 |
2978 |
0.955 |
260 |
2329 |
|
|
4 |
A2u |
1048 |
839 |
0.801 |
260 |
2330 |
|
|
5 |
Eg |
1140 |
1083 |
0.950 |
260 |
2331 |
|
|
6 |
Eg |
934 |
912 |
0.977 |
260 |
2332 |
|
|
7 |
Eu |
1186 |
1151 |
0.970 |
260 |
2333 |
|
|
8 |
Eu |
626 |
617 |
0.986 |
260 |
2334 |
|
|
9 |
T1g |
1169 |
1130 |
0.967 |
260 |
2335 |
|
|
10 |
T1u |
3136 |
2978 |
0.950 |
260 |
2336 |
|
|
11 |
T1u |
1287 |
1230 |
0.956 |
260 |
2337 |
|
|
12 |
T1u |
886 |
853 |
0.962 |
260 |
2338 |
|
|
13 |
T2g |
3128 |
2970 |
0.950 |
260 |
2339 |
|
|
14 |
T2g |
1243 |
1182 |
0.951 |
260 |
2340 |
|
|
15 |
T2g |
859 |
821 |
0.956 |
260 |
2341 |
|
|
16 |
T2g |
681 |
665 |
0.976 |
260 |
2342 |
|
|
17 |
T2u |
1094 |
1036 |
0.947 |
260 |
2343 |
|
|
18 |
T2u |
857 |
829 |
0.968 |
260 |
2344 |
C5H12 |
Pentane |
1 |
A1 |
3124 |
2973 |
0.952 |
261 |
2345 |
|
|
2 |
A1 |
3050 |
2892 |
0.948 |
261 |
2346 |
|
|
3 |
A1 |
3045 |
2866 |
0.941 |
261 |
2347 |
|
|
4 |
A1 |
3027 |
2866 |
0.947 |
261 |
2348 |
|
|
5 |
A1 |
1531 |
1480 |
0.967 |
261 |
2349 |
|
|
6 |
A1 |
1516 |
1463 |
0.965 |
261 |
2350 |
|
|
7 |
A1 |
1502 |
1450 |
0.965 |
261 |
2351 |
|
|
8 |
A1 |
1431 |
1379 |
0.964 |
261 |
2352 |
|
|
9 |
A1 |
1380 |
1346 |
0.975 |
261 |
2353 |
|
|
10 |
A1 |
1177 |
1144 |
0.972 |
261 |
2354 |
|
|
11 |
A1 |
1072 |
1036 |
0.966 |
261 |
2355 |
|
|
12 |
A1 |
886 |
867 |
0.978 |
261 |
2356 |
|
|
13 |
A1 |
402 |
401 |
0.997 |
261 |
2357 |
|
|
14 |
A1 |
177 |
179 |
1.013 |
261 |
2358 |
|
|
15 |
A2 |
3118 |
2967 |
0.951 |
261 |
2359 |
|
|
16 |
A2 |
3068 |
2908 |
0.948 |
261 |
2360 |
|
|
17 |
A2 |
1521 |
1462 |
0.961 |
261 |
2361 |
|
|
18 |
A2 |
1353 |
1346 |
0.995 |
261 |
2362 |
|
|
19 |
A2 |
1281 |
1269 |
0.991 |
261 |
2363 |
|
|
20 |
A2 |
1005 |
993 |
0.988 |
261 |
2364 |
|
|
21 |
A2 |
769 |
766 |
0.997 |
261 |
2365 |
|
|
22 |
A2 |
250 |
210 |
0.841 |
261 |
2366 |
|
|
23 |
A2 |
112 |
131 |
1.169 |
261 |
2367 |
|
|
24 |
B1 |
3120 |
2965 |
0.950 |
261 |
2368 |
|
|
25 |
B1 |
3086 |
2930 |
0.950 |
261 |
2369 |
|
|
26 |
B1 |
3050 |
2930 |
0.961 |
261 |
2370 |
|
|
27 |
B1 |
1520 |
1469 |
0.967 |
261 |
2371 |
|
|
28 |
B1 |
1346 |
1303 |
0.968 |
261 |
2372 |
|
|
29 |
B1 |
1216 |
1170 |
0.962 |
261 |
2373 |
|
|
30 |
B1 |
874 |
858 |
0.981 |
261 |
2374 |
|
|
31 |
B1 |
735 |
727 |
0.990 |
261 |
2375 |
|
|
32 |
B1 |
241 |
215 |
0.893 |
261 |
2376 |
|
|
33 |
B1 |
118 |
88 |
0.745 |
261 |
2377 |
|
|
34 |
B2 |
3124 |
2965 |
0.949 |
261 |
2378 |
|
|
35 |
B2 |
3049 |
2879 |
0.944 |
261 |
2379 |
|
|
36 |
B2 |
3037 |
2866 |
0.944 |
261 |
2380 |
|
|
37 |
B2 |
1525 |
1476 |
0.968 |
261 |
2381 |
|
|
38 |
B2 |
1505 |
1456 |
0.967 |
261 |
2382 |
|
|
39 |
B2 |
1426 |
1389 |
0.974 |
261 |
2383 |
|
|
40 |
B2 |
1422 |
1379 |
0.969 |
261 |
2384 |
|
|
41 |
B2 |
1300 |
1269 |
0.976 |
261 |
2385 |
|
|
42 |
B2 |
1099 |
1073 |
0.977 |
261 |
2386 |
|
|
43 |
B2 |
1056 |
1024 |
0.970 |
261 |
2387 |
|
|
44 |
B2 |
945 |
910 |
0.963 |
261 |
2388 |
|
|
45 |
B2 |
397 |
406 |
1.024 |
261 |
2389 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3052 |
2909 |
0.953 |
262 |
2390 |
|
|
2 |
A1 |
1454 |
1381 |
0.950 |
262 |
2391 |
|
|
3 |
A1 |
749 |
733 |
0.978 |
262 |
2392 |
|
|
4 |
A2 |
251 |
198 |
0.790 |
262 |
2393 |
|
|
5 |
E |
3117 |
2955 |
0.948 |
262 |
2394 |
|
|
6 |
E |
1512 |
1451 |
0.960 |
262 |
2395 |
|
|
7 |
E |
1103 |
999 |
0.906 |
262 |
2396 |
|
|
8 |
E |
339 |
335 |
0.989 |
262 |
2397 |
|
|
9 |
T1 |
3116 |
2975 |
0.955 |
262 |
2398 |
|
|
10 |
T1 |
1504 |
1461 |
0.971 |
262 |
2399 |
|
|
11 |
T1 |
972 |
932 |
0.959 |
262 |
2400 |
|
|
12 |
T1 |
321 |
203 |
0.633 |
262 |
2401 |
|
|
13 |
T2 |
3121 |
2959 |
0.948 |
262 |
2402 |
|
|
14 |
T2 |
3043 |
2876 |
0.945 |
262 |
2403 |
|
|
15 |
T2 |
1544 |
1475 |
0.955 |
262 |
2404 |
|
|
16 |
T2 |
1415 |
1372 |
0.970 |
262 |
2405 |
|
|
17 |
T2 |
1297 |
1256 |
0.968 |
262 |
2406 |
|
|
18 |
T2 |
955 |
925 |
0.969 |
262 |
2407 |
|
|
19 |
T2 |
423 |
418 |
0.989 |
262 |
2408 |
C5H11N |
Piperidine |
1 |
A' |
3567 |
3341 |
0.937 |
263 |
2409 |
|
|
2 |
A' |
3105 |
2947 |
0.949 |
263 |
2410 |
|
|
3 |
A' |
3093 |
2931 |
0.948 |
263 |
2411 |
|
|
4 |
A' |
3088 |
2917 |
0.945 |
263 |
2412 |
|
|
5 |
A' |
3053 |
2892 |
0.947 |
263 |
2413 |
|
|
6 |
A' |
3035 |
2850 |
0.939 |
263 |
2414 |
|
|
7 |
A' |
2924 |
2730 |
0.934 |
263 |
2415 |
|
|
8 |
A' |
1523 |
1476 |
0.969 |
263 |
2416 |
|
|
9 |
A' |
1508 |
1452 |
0.963 |
263 |
2417 |
|
|
10 |
A' |
1498 |
1444 |
0.964 |
263 |
2418 |
|
|
11 |
A' |
1441 |
1386 |
0.962 |
263 |
2419 |
|
|
12 |
A' |
1395 |
1365 |
0.979 |
263 |
2420 |
|
|
13 |
A' |
1334 |
1346 |
1.009 |
263 |
2421 |
|
|
14 |
A' |
1305 |
1266 |
0.970 |
263 |
2422 |
|
|
15 |
A' |
1177 |
1164 |
0.989 |
263 |
2423 |
|
|
16 |
A' |
1079 |
1035 |
0.959 |
263 |
2424 |
|
|
17 |
A' |
1067 |
1006 |
0.942 |
263 |
2425 |
|
|
18 |
A' |
927 |
906 |
0.978 |
263 |
2426 |
|
|
19 |
A' |
883 |
853 |
0.966 |
263 |
2427 |
|
|
20 |
A' |
841 |
822 |
0.977 |
263 |
2428 |
|
|
21 |
A' |
786 |
743 |
0.945 |
263 |
2429 |
|
|
22 |
A' |
545 |
546 |
1.002 |
263 |
2430 |
|
|
23 |
A' |
436 |
432 |
0.991 |
263 |
2431 |
|
|
24 |
A' |
398 |
404 |
1.015 |
263 |
2432 |
|
|
25 |
A' |
248 |
246 |
0.992 |
263 |
2433 |
|
|
26 |
A" |
3099 |
2940 |
0.949 |
263 |
2434 |
|
|
27 |
A" |
3090 |
2902 |
0.939 |
263 |
2435 |
|
|
28 |
A" |
3054 |
2850 |
0.933 |
263 |
2436 |
|
|
29 |
A" |
2918 |
2803 |
0.961 |
263 |
2437 |
|
|
30 |
A" |
1518 |
1468 |
0.967 |
263 |
2438 |
|
|
31 |
A" |
1506 |
1460 |
0.970 |
263 |
2439 |
|
|
32 |
A" |
1487 |
1436 |
0.966 |
263 |
2440 |
|
|
33 |
A" |
1397 |
1332 |
0.954 |
263 |
2441 |
|
|
34 |
A" |
1377 |
1318 |
0.957 |
263 |
2442 |
|
|
35 |
A" |
1361 |
1285 |
0.944 |
263 |
2443 |
|
|
36 |
A" |
1312 |
1258 |
0.959 |
263 |
2444 |
|
|
37 |
A" |
1205 |
1191 |
0.989 |
263 |
2445 |
|
|
38 |
A" |
1183 |
1146 |
0.969 |
263 |
2446 |
|
|
39 |
A" |
1166 |
1115 |
0.956 |
263 |
2447 |
|
|
40 |
A" |
1081 |
1052 |
0.973 |
263 |
2448 |
|
|
41 |
A" |
989 |
964 |
0.975 |
263 |
2449 |
|
|
42 |
A" |
901 |
874 |
0.971 |
263 |
2450 |
|
|
43 |
A" |
826 |
810 |
0.981 |
263 |
2451 |
|
|
44 |
A" |
452 |
445 |
0.985 |
263 |
2452 |
|
|
45 |
A" |
248 |
254 |
1.025 |
263 |
2453 |
C6H12 |
Cyclohexane |
1 |
A1g |
3086 |
2930 |
0.949 |
264 |
2454 |
|
|
2 |
A1g |
3031 |
2852 |
0.941 |
264 |
2455 |
|
|
3 |
A1g |
1524 |
1465 |
0.961 |
264 |
2456 |
|
|
4 |
A1g |
1190 |
1157 |
0.973 |
264 |
2457 |
|
|
5 |
A1g |
823 |
802 |
0.975 |
264 |
2458 |
|
|
6 |
A1g |
380 |
383 |
1.008 |
264 |
2459 |
|
|
7 |
A1u |
1392 |
1383 |
0.994 |
264 |
2460 |
|
|
8 |
A1u |
1144 |
1157 |
1.011 |
264 |
2461 |
|
|
9 |
A1u |
1121 |
1057 |
0.943 |
264 |
2462 |
|
|
10 |
A2g |
1355 |
1437 |
1.060 |
264 |
2463 |
|
|
11 |
A2g |
1082 |
1090 |
1.008 |
264 |
2464 |
|
|
12 |
A2u |
3094 |
2915 |
0.942 |
264 |
2465 |
|
|
13 |
A2u |
3037 |
2860 |
0.942 |
264 |
2466 |
|
|
14 |
A2u |
1509 |
1437 |
0.953 |
264 |
2467 |
|
|
15 |
A2u |
1050 |
1030 |
0.981 |
264 |
2468 |
|
|
16 |
A2u |
519 |
523 |
1.008 |
264 |
2469 |
|
|
17 |
Eg |
3085 |
2930 |
0.950 |
264 |
2470 |
|
|
18 |
Eg |
3035 |
2897 |
0.955 |
264 |
2471 |
|
|
19 |
Eg |
1495 |
1443 |
0.965 |
264 |
2472 |
|
|
20 |
Eg |
1396 |
1347 |
0.965 |
264 |
2473 |
|
|
21 |
Eg |
1312 |
1266 |
0.965 |
264 |
2474 |
|
|
22 |
Eg |
1055 |
1027 |
0.973 |
264 |
2475 |
|
|
23 |
Eg |
795 |
785 |
0.987 |
264 |
2476 |
|
|
24 |
Eg |
426 |
426 |
0.999 |
264 |
2477 |
|
|
25 |
Eu |
3082 |
2933 |
0.952 |
264 |
2478 |
|
|
26 |
Eu |
3029 |
2863 |
0.945 |
264 |
2479 |
|
|
27 |
Eu |
1502 |
1457 |
0.970 |
264 |
2480 |
|
|
28 |
Eu |
1396 |
1355 |
0.971 |
264 |
2481 |
|
|
29 |
Eu |
1299 |
1261 |
0.971 |
264 |
2482 |
|
|
30 |
Eu |
921 |
907 |
0.985 |
264 |
2483 |
|
|
31 |
Eu |
885 |
863 |
0.976 |
264 |
2484 |
|
|
32 |
Eu |
230 |
248 |
1.076 |
264 |
2485 |
C6H14 |
Hexane |
1 |
Ag |
3123 |
2966 |
0.950 |
265 |
2486 |
|
|
2 |
Ag |
3049 |
2877 |
0.943 |
265 |
2487 |
|
|
3 |
Ag |
3040 |
2863 |
0.942 |
265 |
2488 |
|
|
4 |
Ag |
3025 |
2852 |
0.943 |
265 |
2489 |
|
|
5 |
Ag |
1527 |
1460 |
0.956 |
265 |
2490 |
|
|
6 |
Ag |
1509 |
1460 |
0.968 |
265 |
2491 |
|
|
7 |
Ag |
1500 |
1440 |
0.960 |
265 |
2492 |
|
|
8 |
Ag |
1429 |
1397 |
0.978 |
265 |
2493 |
|
|
9 |
Ag |
1424 |
1366 |
0.959 |
265 |
2494 |
|
|
10 |
Ag |
1348 |
1305 |
0.968 |
265 |
2495 |
|
|
11 |
Ag |
1175 |
1140 |
0.970 |
265 |
2496 |
|
|
12 |
Ag |
1097 |
1065 |
0.971 |
265 |
2497 |
|
|
13 |
Ag |
1041 |
1007 |
0.967 |
265 |
2498 |
|
|
14 |
Ag |
918 |
901 |
0.982 |
265 |
2499 |
|
|
15 |
Ag |
370 |
371 |
1.003 |
265 |
2500 |
|
|
16 |
Ag |
296 |
305 |
1.030 |
265 |
2501 |
|
|
17 |
Au |
3120 |
2967 |
0.951 |
265 |
2502 |
|
|
18 |
Au |
3088 |
2936 |
0.951 |
265 |
2503 |
|
|
19 |
Au |
3058 |
2920 |
0.955 |
265 |
2504 |
|
|
20 |
Au |
1521 |
1460 |
0.960 |
265 |
2505 |
|
|
21 |
Au |
1355 |
1303 |
0.961 |
265 |
2506 |
|
|
22 |
Au |
1266 |
1222 |
0.966 |
265 |
2507 |
|
|
23 |
Au |
1026 |
1010 |
0.984 |
265 |
2508 |
|
|
24 |
Au |
811 |
824 |
1.016 |
265 |
2509 |
|
|
25 |
Au |
732 |
726 |
0.992 |
265 |
2510 |
|
|
26 |
Au |
256 |
216 |
0.843 |
265 |
2511 |
|
|
27 |
Au |
101 |
94 |
0.928 |
265 |
2512 |
|
|
28 |
Au |
73 |
61 |
0.841 |
265 |
2513 |
|
|
29 |
Bg |
3119 |
2966 |
0.951 |
265 |
2514 |
|
|
30 |
Bg |
3075 |
2908 |
0.946 |
265 |
2515 |
|
|
31 |
Bg |
3046 |
2908 |
0.955 |
265 |
2516 |
|
|
32 |
Bg |
1521 |
1460 |
0.960 |
265 |
2517 |
|
|
33 |
Bg |
1351 |
1305 |
0.966 |
265 |
2518 |
|
|
34 |
Bg |
1324 |
1283 |
0.969 |
265 |
2519 |
|
|
35 |
Bg |
1214 |
1168 |
0.962 |
265 |
2520 |
|
|
36 |
Bg |
915 |
894 |
0.977 |
265 |
2521 |
|
|
37 |
Bg |
747 |
740 |
0.991 |
265 |
2522 |
|
|
38 |
Bg |
245 |
208 |
0.847 |
265 |
2523 |
|
|
39 |
Bg |
148 |
125 |
0.846 |
265 |
2524 |
|
|
40 |
Bu |
3123 |
2967 |
0.950 |
265 |
2525 |
|
|
41 |
Bu |
3049 |
2884 |
0.946 |
265 |
2526 |
|
|
42 |
Bu |
3044 |
2867 |
0.942 |
265 |
2527 |
|
|
43 |
Bu |
3028 |
2851 |
0.942 |
265 |
2528 |
|
|
44 |
Bu |
1530 |
1476 |
0.965 |
265 |
2529 |
|
|
45 |
Bu |
1518 |
1465 |
0.965 |
265 |
2530 |
|
|
46 |
Bu |
1500 |
1452 |
0.968 |
265 |
2531 |
|
|
47 |
Bu |
1428 |
1387 |
0.971 |
265 |
2532 |
|
|
48 |
Bu |
1402 |
1375 |
0.981 |
265 |
2533 |
|
|
49 |
Bu |
1280 |
1249 |
0.976 |
265 |
2534 |
|
|
50 |
Bu |
1095 |
1061 |
0.969 |
265 |
2535 |
|
|
51 |
Bu |
1075 |
1035 |
0.963 |
265 |
2536 |
|
|
52 |
Bu |
908 |
888 |
0.978 |
265 |
2537 |
|
|
53 |
Bu |
466 |
470 |
1.008 |
265 |
2538 |
|
|
54 |
Bu |
131 |
139 |
1.058 |
265 |
2539 |