H2 |
Hydrogen diatomic |
1 |
Σg |
4548 |
4161 |
0.915 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1428 |
1360 |
0.952 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
376 |
346 |
0.920 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1177 |
1133 |
0.963 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
265 |
158 |
0.596 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
2140 |
1987 |
0.928 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1497 |
1432 |
0.957 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2333 |
2269 |
0.973 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1679 |
1625 |
0.968 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2699 |
2733 |
1.013 |
10 |
10 |
|
|
1 |
Σ |
3051 |
|
|
10 |
11 |
C2 |
Carbon diatomic |
1 |
Σg |
1863 |
1827 |
0.981 |
11 |
12 |
SiH |
Silylidyne |
1 |
Σ |
2175 |
1971 |
0.906 |
12 |
13 |
Si2 |
Silicon diatomic |
1 |
Σg |
584 |
507 |
0.867 |
13 |
14 |
NH |
Imidogen |
1 |
Σ |
3028 |
3126 |
1.032 |
14 |
15 |
|
|
1 |
Σ |
3085 |
3206 |
1.039 |
14 |
16 |
CN |
Cyano radical |
1 |
Σ |
2163 |
2042 |
0.944 |
15 |
17 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2353 |
2330 |
0.990 |
16 |
18 |
|
|
1 |
Σg |
1624 |
1733 |
1.067 |
16 |
19 |
SiN |
Silicon nitride |
1 |
Σ |
1223 |
1138 |
0.931 |
17 |
20 |
PH |
phosphorus monohydride |
1 |
Σ |
2442 |
2276 |
0.932 |
18 |
21 |
|
|
1 |
Σ |
2459 |
2319 |
0.943 |
18 |
22 |
|
|
1 |
Σ |
2463 |
2319 |
0.942 |
18 |
23 |
CP |
Carbon monophosphide |
1 |
Σ |
1326 |
1226 |
0.925 |
19 |
24 |
PN |
Phosphorus mononitride |
1 |
Σ |
1457 |
1323 |
0.908 |
20 |
25 |
P2 |
Phosphorus diatomic |
1 |
Σg |
880 |
775 |
0.881 |
21 |
26 |
OH |
Hydroxyl radical |
1 |
Σ |
3386 |
3570 |
1.054 |
22 |
27 |
LiO |
lithium oxide |
1 |
Σ |
907 |
799 |
0.881 |
23 |
28 |
BeO |
beryllium oxide |
1 |
Σ |
1618 |
1435 |
0.886 |
24 |
29 |
BO |
boron monoxide |
1 |
Σ |
1888 |
1862 |
0.986 |
25 |
30 |
CO |
Carbon monoxide |
1 |
Σ |
2150 |
2143 |
0.997 |
26 |
31 |
|
|
1 |
Σ |
1724 |
|
|
26 |
32 |
NaO |
sodium monoxide |
1 |
Σ |
651 |
|
|
27 |
33 |
MgO |
magnesium oxide |
1 |
Σ |
927 |
775 |
0.836 |
28 |
34 |
SiO |
Silicon monoxide |
1 |
Σ |
1350 |
1230 |
0.911 |
29 |
35 |
HS |
Mercapto radical |
1 |
Σ |
2800 |
2599 |
0.928 |
30 |
36 |
BeS |
beryllium sulfide |
1 |
Σ |
990 |
986 |
0.996 |
31 |
37 |
BS |
boron sulfide |
1 |
Σ |
1224 |
1167 |
0.954 |
32 |
38 |
CS |
carbon monosulfide |
1 |
Σ |
1297 |
1272 |
0.980 |
33 |
39 |
SO |
Sulfur monoxide |
1 |
Σ |
1142 |
1138 |
0.997 |
34 |
40 |
|
|
1 |
Σ |
1146 |
1054 |
0.920 |
34 |
41 |
MgS |
magnesium sulfide |
1 |
Σ |
541 |
523 |
0.968 |
35 |
42 |
AlS |
Aluminum sulfide |
1 |
Σ |
636 |
610 |
0.960 |
36 |
43 |
SiS |
silicon monosulfide |
1 |
Σ |
797 |
744 |
0.934 |
37 |
44 |
S2 |
Sulfur diatomic |
1 |
Σg |
760 |
720 |
0.948 |
38 |
45 |
HF |
Hydrogen fluoride |
1 |
Σ |
3747 |
3961 |
1.057 |
39 |
46 |
LiF |
lithium fluoride |
1 |
Σ |
1080 |
896 |
0.830 |
40 |
47 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1398 |
|
|
41 |
48 |
CF |
Fluoromethylidyne |
1 |
Σ |
1285 |
1286 |
1.000 |
42 |
49 |
NF |
nitrogen fluoride |
1 |
Σ |
1127 |
1123 |
0.997 |
43 |
50 |
F2 |
Fluorine diatomic |
1 |
Σg |
1209 |
894 |
0.739 |
44 |
51 |
NaF |
sodium fluoride |
1 |
Σ |
673 |
529 |
0.785 |
45 |
52 |
MgF |
Magnesium monofluoride |
1 |
Σ |
854 |
|
|
46 |
53 |
AlF |
Aluminum monofluoride |
1 |
Σ |
929 |
793 |
0.854 |
47 |
54 |
SiF |
silicon monofluoride |
1 |
Σ |
993 |
848 |
0.854 |
48 |
55 |
PF |
phosphorus monofluoride |
1 |
Σ |
927 |
838 |
0.904 |
49 |
56 |
SF |
Monosulfur monofluoride |
1 |
Σ |
876 |
829 |
0.946 |
50 |
57 |
HCl |
Hydrogen chloride |
1 |
Σ |
2947 |
2886 |
0.979 |
51 |
58 |
LiCl |
lithium chloride |
1 |
Σ |
615 |
634 |
1.031 |
52 |
59 |
BeCl |
beryllium monochloride |
1 |
Σ |
822 |
847 |
1.030 |
53 |
60 |
BCl |
boron monochloride |
1 |
Σ |
831 |
829 |
0.998 |
54 |
61 |
CCl |
carbon monochloride |
1 |
Σ |
729 |
866 |
1.187 |
55 |
62 |
ClF |
Chlorine monofluoride |
1 |
Σ |
840 |
773 |
0.921 |
56 |
63 |
NaCl |
Sodium Chloride |
1 |
Σ |
347 |
361 |
1.042 |
57 |
64 |
MgCl |
magnesium monochloride |
1 |
Σ |
468 |
|
|
58 |
65 |
AlCl |
Aluminum monochloride |
1 |
Σ |
480 |
478 |
0.995 |
59 |
66 |
SiCl |
Clorosilylidyne |
1 |
Σ |
534 |
531 |
0.994 |
60 |
67 |
PCl |
phosphorus chloride |
1 |
Σ |
573 |
547 |
0.954 |
61 |
68 |
SCl |
sulfur monochloride |
1 |
Σ |
581 |
577 |
0.993 |
62 |
69 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
545 |
554 |
1.017 |
63 |
70 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2280 |
2159 |
0.947 |
64 |
71 |
|
|
3 |
Πu |
773 |
698 |
0.903 |
64 |
72 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1684 |
1572 |
0.933 |
65 |
73 |
|
|
3 |
Πu |
432 |
440 |
1.017 |
65 |
74 |
BH2 |
boron dihydride |
2 |
A1 |
1062 |
954 |
0.898 |
66 |
75 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1902 |
1770 |
0.930 |
67 |
76 |
|
|
2 |
A1 |
764 |
760 |
0.995 |
67 |
77 |
|
|
3 |
B2 |
1940 |
1807 |
0.931 |
67 |
78 |
SiH2 |
silicon dihydride |
1 |
A1 |
2078 |
1996 |
0.960 |
68 |
79 |
|
|
2 |
A1 |
1047 |
999 |
0.954 |
68 |
80 |
|
|
3 |
B2 |
2079 |
1993 |
0.959 |
68 |
81 |
NH2 |
Amino radical |
1 |
A1 |
3164 |
3219 |
1.017 |
69 |
82 |
|
|
2 |
A1 |
1601 |
1497 |
0.935 |
69 |
83 |
|
|
3 |
B2 |
3273 |
3301 |
1.008 |
69 |
84 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3536 |
3312 |
0.937 |
70 |
85 |
|
|
2 |
Σ |
2227 |
2089 |
0.938 |
70 |
86 |
|
|
3 |
Π |
921 |
712 |
0.773 |
70 |
87 |
HNC |
hydrogen isocyanide |
1 |
Σ |
3822 |
3653 |
0.956 |
71 |
88 |
|
|
2 |
Σ |
2097 |
2029 |
0.967 |
71 |
89 |
|
|
3 |
Π |
678 |
477 |
0.704 |
71 |
90 |
PH2 |
Phosphino radical |
1 |
A1 |
2369 |
2310 |
0.975 |
72 |
91 |
|
|
2 |
A1 |
1191 |
1102 |
0.925 |
72 |
92 |
HCP |
Phosphaethyne |
1 |
Σ |
3393 |
3217 |
0.948 |
73 |
93 |
|
|
2 |
Σ |
1404 |
1278 |
0.911 |
73 |
94 |
|
|
3 |
Π |
820 |
674 |
0.823 |
73 |
95 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2491 |
2095 |
0.841 |
74 |
96 |
|
|
2 |
A' |
1259 |
1188 |
0.944 |
74 |
97 |
|
|
3 |
A' |
1098 |
986 |
0.897 |
74 |
98 |
H2O |
Water |
1 |
A1 |
3526 |
3657 |
1.037 |
75 |
99 |
|
|
2 |
A1 |
1682 |
1595 |
0.948 |
75 |
100 |
|
|
3 |
B2 |
3670 |
3756 |
1.023 |
75 |
101 |
LiOH |
lithium hydroxide |
1 |
Σ |
3782 |
3688 |
0.975 |
76 |
102 |
|
|
2 |
Σ |
1146 |
871 |
0.760 |
76 |
103 |
|
|
3 |
Π |
492 |
257 |
0.522 |
76 |
104 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1430 |
1246 |
0.871 |
77 |
105 |
HBO |
Boron hydride oxide |
1 |
Σ |
2979 |
2850 |
0.957 |
78 |
106 |
|
|
2 |
Σ |
1864 |
1826 |
0.979 |
78 |
107 |
|
|
3 |
Π |
785 |
756 |
0.963 |
78 |
108 |
HCO |
Formyl radical |
1 |
A' |
2772 |
2434 |
0.878 |
79 |
109 |
|
|
2 |
A' |
1899 |
1868 |
0.984 |
79 |
110 |
|
|
3 |
A' |
1137 |
1081 |
0.950 |
79 |
111 |
CO2 |
Carbon dioxide |
1 |
Σg |
1336 |
1333 |
0.998 |
80 |
112 |
|
|
2 |
Σu |
2364 |
2349 |
0.994 |
80 |
113 |
|
|
3 |
Πu |
591 |
667 |
1.128 |
80 |
114 |
N2O |
Nitrous oxide |
1 |
Σ |
2189 |
2224 |
1.016 |
81 |
115 |
|
|
2 |
Σ |
1118 |
1285 |
1.149 |
81 |
116 |
|
|
3 |
Π |
529 |
589 |
1.114 |
81 |
117 |
NaOH |
sodium hydroxide |
1 |
Σ |
3632 |
3637 |
1.001 |
82 |
118 |
|
|
2 |
Σ |
723 |
540 |
0.747 |
82 |
119 |
|
|
3 |
Π |
396 |
300 |
0.758 |
82 |
120 |
SiO2 |
silicon dioxide |
2 |
Σu |
1537 |
1416 |
0.921 |
83 |
121 |
|
|
3 |
Πu |
283 |
273 |
0.962 |
83 |
122 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2769 |
2615 |
0.944 |
84 |
123 |
|
|
2 |
A1 |
1276 |
1183 |
0.927 |
84 |
124 |
|
|
3 |
B2 |
2778 |
2626 |
0.945 |
84 |
125 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2896 |
2736 |
0.945 |
85 |
126 |
|
|
2 |
Σ |
1233 |
1172 |
0.951 |
85 |
127 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2109 |
2062 |
0.978 |
86 |
128 |
|
|
2 |
Σ |
885 |
859 |
0.971 |
86 |
129 |
|
|
3 |
Π |
538 |
520 |
0.966 |
86 |
130 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1203 |
1151 |
0.957 |
87 |
131 |
|
|
2 |
A1 |
530 |
518 |
0.977 |
87 |
132 |
|
|
3 |
B2 |
1426 |
1362 |
0.955 |
87 |
133 |
CS2 |
Carbon disulfide |
1 |
Σg |
702 |
658 |
0.938 |
88 |
134 |
|
|
2 |
Σu |
1616 |
1535 |
0.950 |
88 |
135 |
|
|
3 |
Πu |
431 |
397 |
0.922 |
88 |
136 |
SSO |
Disulfur monoxide |
1 |
A' |
1222 |
1166 |
0.955 |
89 |
137 |
|
|
2 |
A' |
748 |
679 |
0.908 |
89 |
138 |
|
|
3 |
A' |
388 |
380 |
0.979 |
89 |
139 |
HCF |
Fluoromethylene |
1 |
A' |
2724 |
2643 |
0.970 |
90 |
140 |
|
|
2 |
A' |
1439 |
1403 |
0.975 |
90 |
141 |
|
|
3 |
A' |
1221 |
1189 |
0.974 |
90 |
142 |
HOF |
Hypofluorous acid |
1 |
A' |
3463 |
3578 |
1.033 |
91 |
143 |
|
|
2 |
A' |
1367 |
1362 |
0.997 |
91 |
144 |
|
|
3 |
A' |
1123 |
893 |
0.795 |
91 |
145 |
CF2 |
Difluoromethylene |
1 |
A1 |
1234 |
1225 |
0.993 |
92 |
146 |
|
|
2 |
A1 |
624 |
667 |
1.069 |
92 |
147 |
|
|
3 |
B2 |
1181 |
1114 |
0.943 |
92 |
148 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1588 |
1844 |
1.161 |
93 |
149 |
|
|
2 |
A' |
928 |
766 |
0.826 |
93 |
150 |
|
|
3 |
A' |
607 |
520 |
0.857 |
93 |
151 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1096 |
1075 |
0.981 |
94 |
152 |
|
|
2 |
A1 |
508 |
573 |
1.128 |
94 |
153 |
|
|
3 |
B2 |
1033 |
942 |
0.913 |
94 |
154 |
F2O |
Difluorine monoxide |
1 |
A1 |
1104 |
928 |
0.841 |
95 |
155 |
|
|
2 |
A1 |
435 |
461 |
1.059 |
95 |
156 |
|
|
3 |
B2 |
1100 |
831 |
0.755 |
95 |
157 |
HOCl |
hypochlorous acid |
1 |
A' |
3484 |
3609 |
1.036 |
96 |
158 |
|
|
2 |
A' |
1298 |
1239 |
0.955 |
96 |
159 |
|
|
3 |
A' |
759 |
724 |
0.954 |
96 |
160 |
ClCN |
chlorocyanogen |
1 |
Σ |
2352 |
2216 |
0.942 |
97 |
161 |
|
|
2 |
Σ |
763 |
744 |
0.975 |
97 |
162 |
|
|
3 |
Π |
470 |
378 |
0.805 |
97 |
163 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1596 |
1800 |
1.128 |
98 |
164 |
|
|
2 |
A' |
618 |
596 |
0.963 |
98 |
165 |
|
|
3 |
A' |
359 |
332 |
0.923 |
98 |
166 |
OClO |
Chlorine dioxide |
1 |
A1 |
906 |
946 |
1.043 |
99 |
167 |
|
|
2 |
A1 |
442 |
448 |
1.013 |
99 |
168 |
|
|
3 |
B2 |
1102 |
1110 |
1.008 |
99 |
169 |
CCl2 |
dichloromethylene |
1 |
A1 |
658 |
730 |
1.109 |
100 |
170 |
|
|
2 |
A1 |
323 |
335 |
1.038 |
100 |
171 |
|
|
3 |
B2 |
632 |
758 |
1.199 |
100 |
172 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
676 |
639 |
0.946 |
101 |
173 |
|
|
2 |
A1 |
302 |
296 |
0.980 |
101 |
174 |
|
|
3 |
B2 |
760 |
686 |
0.903 |
101 |
175 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
529 |
522 |
0.986 |
102 |
176 |
|
|
2 |
A1 |
205 |
201 |
0.981 |
102 |
177 |
|
|
3 |
B2 |
531 |
509 |
0.959 |
102 |
178 |
ClS2 |
Sulfur chloride |
1 |
A' |
682 |
662 |
0.970 |
103 |
179 |
|
|
2 |
A' |
416 |
450 |
1.081 |
103 |
180 |
|
|
3 |
A' |
212 |
196 |
0.925 |
103 |
181 |
BH3 |
boron trihydride |
2 |
A2" |
1164 |
1148 |
0.986 |
104 |
182 |
|
|
3 |
E' |
2807 |
2602 |
0.927 |
104 |
183 |
|
|
4 |
E' |
1225 |
1197 |
0.977 |
104 |
184 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1959 |
1900 |
0.970 |
105 |
185 |
|
|
2 |
A2" |
700 |
698 |
0.997 |
105 |
186 |
|
|
3 |
E' |
1971 |
1883 |
0.955 |
105 |
187 |
|
|
4 |
E' |
795 |
783 |
0.986 |
105 |
188 |
C2H2 |
Acetylene |
1 |
Σg |
3579 |
3374 |
0.943 |
106 |
189 |
|
|
2 |
Σg |
2122 |
1974 |
0.930 |
106 |
190 |
|
|
3 |
Σu |
3467 |
3289 |
0.949 |
106 |
191 |
|
|
4 |
Πg |
796 |
612 |
0.769 |
106 |
192 |
|
|
5 |
Πu |
829 |
730 |
0.881 |
106 |
193 |
SiH3 |
Silyl radical |
1 |
A1 |
2298 |
2136 |
0.930 |
107 |
194 |
|
|
2 |
A1 |
780 |
728 |
0.934 |
107 |
195 |
|
|
3 |
E |
2330 |
2185 |
0.938 |
107 |
196 |
|
|
4 |
E |
956 |
922 |
0.964 |
107 |
197 |
NH3 |
Ammonia |
1 |
A1 |
3467 |
3337 |
0.962 |
108 |
198 |
|
|
2 |
A1 |
705 |
950 |
1.347 |
108 |
199 |
|
|
3 |
E |
3635 |
3444 |
0.948 |
108 |
200 |
|
|
4 |
E |
1733 |
1627 |
0.939 |
108 |
201 |
C2N2 |
Cyanogen |
1 |
Σg |
2514 |
2330 |
0.927 |
109 |
202 |
|
|
2 |
Σg |
902 |
846 |
0.938 |
109 |
203 |
|
|
3 |
Σu |
2295 |
2158 |
0.940 |
109 |
204 |
|
|
4 |
Πg |
781 |
503 |
0.644 |
109 |
205 |
|
|
6 |
Πu |
311 |
234 |
0.754 |
109 |
206 |
PH3 |
Phosphine |
1 |
A1 |
2489 |
2323 |
0.933 |
110 |
207 |
|
|
2 |
A1 |
1088 |
992 |
0.912 |
110 |
208 |
|
|
3 |
E |
2485 |
2328 |
0.937 |
110 |
209 |
|
|
4 |
E |
1217 |
1118 |
0.918 |
110 |
210 |
P4 |
Phosphorus tetramer |
1 |
A1 |
668 |
601 |
0.899 |
111 |
211 |
|
|
2 |
E |
422 |
361 |
0.856 |
111 |
212 |
|
|
3 |
T2 |
533 |
467 |
0.876 |
111 |
213 |
H2CO |
Formaldehyde |
1 |
A1 |
2975 |
2782 |
0.935 |
112 |
214 |
|
|
2 |
A1 |
1796 |
1746 |
0.972 |
112 |
215 |
|
|
3 |
A1 |
1594 |
1500 |
0.941 |
112 |
216 |
|
|
4 |
B1 |
1237 |
1167 |
0.943 |
112 |
217 |
|
|
5 |
B2 |
3039 |
2843 |
0.935 |
112 |
218 |
|
|
6 |
B2 |
1295 |
1249 |
0.964 |
112 |
219 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3534 |
3599 |
1.018 |
113 |
220 |
|
|
2 |
A |
1525 |
1402 |
0.919 |
113 |
221 |
|
|
3 |
A |
1083 |
877 |
0.810 |
113 |
222 |
|
|
4 |
A |
139 |
371 |
2.660 |
113 |
223 |
|
|
5 |
B |
3556 |
3608 |
1.014 |
113 |
224 |
|
|
6 |
B |
1194 |
1266 |
1.060 |
113 |
225 |
HNCO |
Isocyanic acid |
1 |
A' |
3873 |
3538 |
0.914 |
114 |
226 |
|
|
2 |
A' |
2472 |
2269 |
0.918 |
114 |
227 |
|
|
3 |
A' |
1365 |
1327 |
0.972 |
114 |
228 |
|
|
4 |
A' |
611 |
777 |
1.271 |
114 |
229 |
|
|
5 |
A' |
214 |
577 |
2.694 |
114 |
230 |
|
|
6 |
A" |
613 |
656 |
1.071 |
114 |
231 |
HNO2 |
Nitrous acid |
1 |
A' |
3520 |
3591 |
1.020 |
115 |
232 |
|
|
2 |
A' |
1547 |
1700 |
1.099 |
115 |
233 |
|
|
3 |
A' |
1264 |
1263 |
0.999 |
115 |
234 |
|
|
4 |
A' |
924 |
790 |
0.856 |
115 |
235 |
|
|
5 |
A' |
614 |
596 |
0.970 |
115 |
236 |
|
|
6 |
A" |
564 |
543 |
0.963 |
115 |
237 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2158 |
2060 |
0.955 |
116 |
238 |
|
|
2 |
Σg |
644 |
585 |
0.908 |
116 |
239 |
|
|
3 |
Σu |
1947 |
1898 |
0.974 |
116 |
240 |
|
|
4 |
Πg |
571 |
410 |
0.719 |
116 |
241 |
|
|
6 |
Πu |
237 |
213 |
0.898 |
116 |
242 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3125 |
2971 |
0.951 |
117 |
243 |
|
|
2 |
A1 |
1568 |
1456 |
0.928 |
117 |
244 |
|
|
3 |
A1 |
1151 |
1059 |
0.920 |
117 |
245 |
|
|
4 |
B1 |
1082 |
990 |
0.915 |
117 |
246 |
|
|
5 |
B2 |
3205 |
3025 |
0.944 |
117 |
247 |
|
|
6 |
B2 |
1053 |
991 |
0.941 |
117 |
248 |
H2S2 |
Disulfane |
1 |
A |
2640 |
2556 |
0.968 |
118 |
249 |
|
|
2 |
A |
929 |
882 |
0.950 |
118 |
250 |
|
|
3 |
A |
535 |
515 |
0.961 |
118 |
251 |
|
|
4 |
A |
417 |
417 |
1.002 |
118 |
252 |
|
|
5 |
B |
2641 |
2559 |
0.969 |
118 |
253 |
|
|
6 |
B |
921 |
878 |
0.953 |
118 |
254 |
SO3 |
Sulfur trioxide |
1 |
A1' |
1072 |
1065 |
0.994 |
119 |
255 |
|
|
2 |
A2" |
470 |
498 |
1.060 |
119 |
256 |
|
|
3 |
E' |
1407 |
1391 |
0.989 |
119 |
257 |
|
|
4 |
E' |
521 |
530 |
1.017 |
119 |
258 |
BHF2 |
Difluoroborane |
1 |
A1 |
2861 |
2621 |
0.916 |
120 |
259 |
|
|
2 |
A1 |
1228 |
1164 |
0.948 |
120 |
260 |
|
|
3 |
A1 |
545 |
542 |
0.994 |
120 |
261 |
|
|
4 |
B1 |
962 |
924 |
0.960 |
120 |
262 |
|
|
5 |
B2 |
1574 |
1402 |
0.891 |
120 |
263 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1997 |
1928 |
0.966 |
121 |
264 |
|
|
2 |
A1 |
987 |
965 |
0.978 |
121 |
265 |
|
|
3 |
A1 |
559 |
584 |
1.044 |
121 |
266 |
|
|
4 |
B1 |
753 |
774 |
1.028 |
121 |
267 |
|
|
5 |
B2 |
1354 |
1249 |
0.923 |
121 |
268 |
|
|
6 |
B2 |
627 |
626 |
0.999 |
121 |
269 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
927 |
888 |
0.958 |
122 |
270 |
|
|
2 |
A2" |
657 |
691 |
1.051 |
122 |
271 |
|
|
3 |
E' |
1612 |
1449 |
0.899 |
122 |
272 |
|
|
4 |
E' |
481 |
480 |
0.998 |
122 |
273 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1396 |
1523 |
1.091 |
123 |
274 |
|
|
2 |
Ag |
1081 |
1018 |
0.942 |
123 |
275 |
|
|
3 |
Ag |
605 |
603 |
0.996 |
123 |
276 |
|
|
4 |
Au |
367 |
364 |
0.991 |
123 |
277 |
|
|
5 |
Bu |
1091 |
991 |
0.908 |
123 |
278 |
|
|
6 |
Bu |
401 |
423 |
1.055 |
123 |
279 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1081 |
1089 |
1.007 |
124 |
280 |
|
|
2 |
A1 |
667 |
701 |
1.050 |
124 |
281 |
|
|
3 |
E |
1359 |
1260 |
0.927 |
124 |
282 |
|
|
4 |
E |
489 |
509 |
1.040 |
124 |
283 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1042 |
1032 |
0.991 |
125 |
284 |
|
|
2 |
A1 |
579 |
647 |
1.117 |
125 |
285 |
|
|
3 |
E |
1021 |
907 |
0.888 |
125 |
286 |
|
|
4 |
E |
432 |
492 |
1.139 |
125 |
287 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
778 |
690 |
0.887 |
126 |
288 |
|
|
2 |
A2" |
291 |
297 |
1.019 |
126 |
289 |
|
|
3 |
E' |
1098 |
935 |
0.852 |
126 |
290 |
|
|
4 |
E' |
252 |
263 |
1.044 |
126 |
291 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2798 |
2617 |
0.935 |
127 |
292 |
|
|
2 |
A1 |
744 |
740 |
0.994 |
127 |
293 |
|
|
4 |
B1 |
783 |
784 |
1.001 |
127 |
294 |
|
|
5 |
B2 |
1115 |
1089 |
0.977 |
127 |
295 |
|
|
6 |
B2 |
916 |
892 |
0.973 |
127 |
296 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1154 |
1267 |
1.098 |
128 |
297 |
|
|
2 |
A1 |
776 |
793 |
1.022 |
128 |
298 |
|
|
3 |
A1 |
422 |
364 |
0.862 |
128 |
299 |
|
|
4 |
B1 |
627 |
652 |
1.039 |
128 |
300 |
|
|
5 |
B2 |
1480 |
1684 |
1.138 |
128 |
301 |
|
|
6 |
B2 |
397 |
408 |
1.027 |
128 |
302 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
813 |
752 |
0.925 |
129 |
303 |
|
|
2 |
A1 |
583 |
529 |
0.907 |
129 |
304 |
|
|
3 |
A1 |
353 |
328 |
0.929 |
129 |
305 |
|
|
4 |
B1 |
350 |
328 |
0.936 |
129 |
306 |
|
|
5 |
B2 |
804 |
702 |
0.873 |
129 |
307 |
|
|
6 |
B2 |
431 |
442 |
1.025 |
129 |
308 |
C2Cl2 |
dichloroacetylene |
4 |
Πg |
555 |
333 |
0.600 |
130 |
309 |
|
|
6 |
Πu |
205 |
172 |
0.841 |
130 |
310 |
CCl2O |
Phosgene |
1 |
A1 |
1853 |
1827 |
0.986 |
131 |
311 |
|
|
2 |
A1 |
543 |
567 |
1.045 |
131 |
312 |
|
|
3 |
A1 |
303 |
285 |
0.941 |
131 |
313 |
|
|
4 |
B1 |
585 |
580 |
0.991 |
131 |
314 |
|
|
5 |
B2 |
766 |
849 |
1.108 |
131 |
315 |
|
|
6 |
B2 |
434 |
440 |
1.013 |
131 |
316 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
937 |
820 |
0.875 |
132 |
317 |
|
|
2 |
A1 |
537 |
500 |
0.931 |
132 |
318 |
|
|
3 |
A1 |
246 |
250 |
1.018 |
132 |
319 |
|
|
4 |
B1 |
262 |
260 |
0.992 |
132 |
320 |
|
|
5 |
B2 |
1096 |
900 |
0.821 |
132 |
321 |
|
|
6 |
B2 |
201 |
200 |
0.995 |
132 |
322 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
484 |
471 |
0.972 |
133 |
323 |
|
|
2 |
A2" |
448 |
460 |
1.027 |
133 |
324 |
|
|
3 |
E' |
975 |
956 |
0.981 |
133 |
325 |
|
|
4 |
E' |
262 |
243 |
0.927 |
133 |
326 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
1005 |
850 |
0.846 |
134 |
327 |
|
|
2 |
A1 |
461 |
450 |
0.976 |
134 |
328 |
|
|
3 |
A1 |
159 |
150 |
0.944 |
134 |
329 |
|
|
4 |
B1 |
232 |
220 |
0.948 |
134 |
330 |
|
|
5 |
B2 |
673 |
610 |
0.906 |
134 |
331 |
|
|
6 |
B2 |
221 |
200 |
0.906 |
134 |
332 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
401 |
375 |
0.934 |
135 |
333 |
|
|
2 |
A2" |
195 |
183 |
0.938 |
135 |
334 |
|
|
3 |
E' |
652 |
595 |
0.912 |
135 |
335 |
|
|
4 |
E' |
146 |
150 |
1.026 |
135 |
336 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
523 |
504 |
0.963 |
136 |
337 |
|
|
2 |
A1 |
267 |
252 |
0.942 |
136 |
338 |
|
|
3 |
E |
509 |
482 |
0.946 |
136 |
339 |
|
|
4 |
E |
194 |
198 |
1.021 |
136 |
340 |
ClSSCl |
Disulfur dichloride |
1 |
A |
543 |
546 |
1.006 |
137 |
341 |
|
|
2 |
A |
459 |
466 |
1.015 |
137 |
342 |
|
|
3 |
A |
205 |
202 |
0.984 |
137 |
343 |
|
|
4 |
A |
91 |
95 |
1.041 |
137 |
344 |
|
|
5 |
B |
447 |
461 |
1.030 |
137 |
345 |
|
|
6 |
B |
246 |
244 |
0.990 |
137 |
346 |
CH4 |
Methane |
1 |
A1 |
3071 |
2917 |
0.950 |
138 |
347 |
|
|
2 |
E |
1641 |
1534 |
0.935 |
138 |
348 |
|
|
3 |
T2 |
3176 |
3019 |
0.950 |
138 |
349 |
|
|
4 |
T2 |
1418 |
1306 |
0.921 |
138 |
350 |
SiH4 |
Silane |
1 |
A1 |
2317 |
2187 |
0.944 |
139 |
351 |
|
|
2 |
E |
996 |
975 |
0.979 |
139 |
352 |
|
|
3 |
T2 |
2325 |
2191 |
0.942 |
139 |
353 |
|
|
4 |
T2 |
933 |
914 |
0.979 |
139 |
354 |
CH2NH |
Methanimine |
1 |
A' |
3305 |
3263 |
0.987 |
140 |
355 |
|
|
2 |
A' |
3184 |
3024 |
0.950 |
140 |
356 |
|
|
3 |
A' |
3063 |
2914 |
0.951 |
140 |
357 |
|
|
4 |
A' |
1725 |
1638 |
0.950 |
140 |
358 |
|
|
5 |
A' |
1544 |
1452 |
0.940 |
140 |
359 |
|
|
6 |
A' |
1376 |
1344 |
0.977 |
140 |
360 |
|
|
7 |
A' |
1097 |
1058 |
0.965 |
140 |
361 |
|
|
8 |
A" |
1195 |
1127 |
0.943 |
140 |
362 |
|
|
9 |
A" |
1136 |
1061 |
0.934 |
140 |
363 |
NH2OH |
hydroxylamine |
1 |
A' |
3551 |
3650 |
1.028 |
141 |
364 |
|
|
2 |
A' |
3340 |
3294 |
0.986 |
141 |
365 |
|
|
3 |
A' |
1710 |
1605 |
0.938 |
141 |
366 |
|
|
4 |
A' |
1398 |
1353 |
0.968 |
141 |
367 |
|
|
5 |
A' |
1125 |
1115 |
0.992 |
141 |
368 |
|
|
6 |
A' |
971 |
895 |
0.922 |
141 |
369 |
|
|
7 |
A" |
3448 |
3359 |
0.974 |
141 |
370 |
|
|
8 |
A" |
1287 |
1295 |
1.006 |
141 |
371 |
|
|
9 |
A" |
414 |
386 |
0.933 |
141 |
372 |
CH2CO |
Ketene |
1 |
A1 |
3250 |
3070 |
0.945 |
142 |
373 |
|
|
2 |
A1 |
2241 |
2152 |
0.960 |
142 |
374 |
|
|
3 |
A1 |
1472 |
1388 |
0.943 |
142 |
375 |
|
|
4 |
A1 |
1207 |
1118 |
0.926 |
142 |
376 |
|
|
5 |
B1 |
780 |
588 |
0.754 |
142 |
377 |
|
|
6 |
B1 |
603 |
528 |
0.875 |
142 |
378 |
|
|
7 |
B2 |
3336 |
3166 |
0.949 |
142 |
379 |
|
|
8 |
B2 |
1065 |
977 |
0.917 |
142 |
380 |
|
|
9 |
B2 |
490 |
433 |
0.883 |
142 |
381 |
HCOOH |
Formic acid |
1 |
A' |
3563 |
3570 |
1.002 |
143 |
382 |
|
|
2 |
A' |
3132 |
2943 |
0.940 |
143 |
383 |
|
|
3 |
A' |
1819 |
1770 |
0.973 |
143 |
384 |
|
|
4 |
A' |
1447 |
1387 |
0.958 |
143 |
385 |
|
|
5 |
A' |
1347 |
1229 |
0.913 |
143 |
386 |
|
|
6 |
A' |
1107 |
1105 |
0.998 |
143 |
387 |
|
|
7 |
A' |
624 |
625 |
1.002 |
143 |
388 |
|
|
8 |
A" |
1097 |
1033 |
0.942 |
143 |
389 |
|
|
9 |
A" |
679 |
638 |
0.940 |
143 |
390 |
HNO3 |
Nitric acid |
1 |
A' |
3507 |
3550 |
1.012 |
144 |
391 |
|
|
2 |
A' |
1588 |
1708 |
1.076 |
144 |
392 |
|
|
3 |
A' |
1254 |
1331 |
1.062 |
144 |
393 |
|
|
4 |
A' |
1210 |
1325 |
1.095 |
144 |
394 |
|
|
5 |
A' |
903 |
879 |
0.974 |
144 |
395 |
|
|
6 |
A' |
626 |
647 |
1.034 |
144 |
396 |
|
|
7 |
A' |
517 |
579 |
1.121 |
144 |
397 |
|
|
8 |
A" |
692 |
762 |
1.101 |
144 |
398 |
|
|
9 |
A" |
501 |
456 |
0.910 |
144 |
399 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2271 |
2196 |
0.967 |
145 |
400 |
|
|
2 |
Σg |
797 |
786 |
0.986 |
145 |
401 |
|
|
3 |
Σu |
2450 |
2258 |
0.922 |
145 |
402 |
|
|
4 |
Σu |
1651 |
1573 |
0.953 |
145 |
403 |
|
|
5 |
Πg |
647 |
573 |
0.885 |
145 |
404 |
|
|
6 |
Πu |
816 |
550 |
0.674 |
145 |
405 |
|
|
7 |
Πu |
150 |
61 |
0.407 |
145 |
406 |
CH3F |
Methyl fluoride |
1 |
A1 |
3082 |
2930 |
0.951 |
146 |
407 |
|
|
2 |
A1 |
1568 |
1464 |
0.933 |
146 |
408 |
|
|
3 |
A1 |
1110 |
1049 |
0.945 |
146 |
409 |
|
|
4 |
E |
3145 |
3006 |
0.956 |
146 |
410 |
|
|
5 |
E |
1578 |
1467 |
0.930 |
146 |
411 |
|
|
6 |
E |
1197 |
1182 |
0.987 |
146 |
412 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3117 |
2948 |
0.946 |
147 |
413 |
|
|
2 |
A1 |
1614 |
1508 |
0.934 |
147 |
414 |
|
|
3 |
A1 |
1128 |
1111 |
0.985 |
147 |
415 |
|
|
4 |
A1 |
505 |
529 |
1.047 |
147 |
416 |
|
|
5 |
A2 |
1296 |
1262 |
0.973 |
147 |
417 |
|
|
6 |
B1 |
3172 |
3014 |
0.950 |
147 |
418 |
|
|
7 |
B1 |
1179 |
1178 |
0.999 |
147 |
419 |
|
|
8 |
B2 |
1530 |
1435 |
0.938 |
147 |
420 |
|
|
9 |
B2 |
1187 |
1090 |
0.919 |
147 |
421 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3203 |
3036 |
0.948 |
148 |
422 |
|
|
2 |
A1 |
1146 |
1117 |
0.975 |
148 |
423 |
|
|
3 |
A1 |
670 |
700 |
1.045 |
148 |
424 |
|
|
4 |
E |
1477 |
1372 |
0.929 |
148 |
425 |
|
|
5 |
E |
1241 |
1152 |
0.928 |
148 |
426 |
|
|
6 |
E |
486 |
507 |
1.043 |
148 |
427 |
FNO3 |
Fluorine nitrate |
1 |
A' |
1565 |
1759 |
1.124 |
149 |
428 |
|
|
2 |
A' |
1189 |
1301 |
1.094 |
149 |
429 |
|
|
3 |
A' |
1156 |
928 |
0.803 |
149 |
430 |
|
|
4 |
A' |
849 |
804 |
0.947 |
149 |
431 |
|
|
5 |
A' |
654 |
633 |
0.968 |
149 |
432 |
|
|
6 |
A' |
489 |
455 |
0.930 |
149 |
433 |
|
|
7 |
A' |
318 |
303 |
0.953 |
149 |
434 |
|
|
8 |
A" |
662 |
709 |
1.071 |
149 |
435 |
|
|
9 |
A" |
165 |
152 |
0.923 |
149 |
436 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
909 |
909 |
1.000 |
150 |
437 |
|
|
2 |
E |
423 |
435 |
1.029 |
150 |
438 |
|
|
3 |
T2 |
1413 |
1283 |
0.908 |
150 |
439 |
|
|
4 |
T2 |
613 |
631 |
1.030 |
150 |
440 |
SiH3F |
monofluorosilane |
1 |
A1 |
2370 |
2206 |
0.931 |
151 |
441 |
|
|
2 |
A1 |
1110 |
990 |
0.892 |
151 |
442 |
|
|
3 |
A1 |
964 |
872 |
0.905 |
151 |
443 |
|
|
4 |
E |
2370 |
2196 |
0.927 |
151 |
444 |
|
|
5 |
E |
965 |
956 |
0.991 |
151 |
445 |
|
|
6 |
E |
792 |
728 |
0.920 |
151 |
446 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
884 |
800 |
0.905 |
152 |
447 |
|
|
2 |
E |
277 |
268 |
0.969 |
152 |
448 |
|
|
3 |
T2 |
1191 |
1032 |
0.867 |
152 |
449 |
|
|
4 |
T2 |
400 |
389 |
0.973 |
152 |
450 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1512 |
1417 |
0.937 |
153 |
451 |
|
|
2 |
A1 |
913 |
873 |
0.957 |
153 |
452 |
|
|
3 |
A1 |
476 |
472 |
0.993 |
153 |
453 |
|
|
4 |
E |
1083 |
991 |
0.915 |
153 |
454 |
|
|
5 |
E |
465 |
482 |
1.037 |
153 |
455 |
|
|
6 |
E |
333 |
336 |
1.010 |
153 |
456 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3122 |
2966 |
0.950 |
154 |
457 |
|
|
2 |
A1 |
1447 |
1355 |
0.936 |
154 |
458 |
|
|
3 |
A1 |
724 |
732 |
1.012 |
154 |
459 |
|
|
4 |
E |
3216 |
3042 |
0.946 |
154 |
460 |
|
|
5 |
E |
1555 |
1455 |
0.936 |
154 |
461 |
|
|
6 |
E |
1063 |
1015 |
0.955 |
154 |
462 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2356 |
2201 |
0.934 |
155 |
463 |
|
|
2 |
A1 |
992 |
949 |
0.956 |
155 |
464 |
|
|
3 |
A1 |
568 |
551 |
0.970 |
155 |
465 |
|
|
4 |
E |
2368 |
2195 |
0.927 |
155 |
466 |
|
|
5 |
E |
978 |
954 |
0.975 |
155 |
467 |
|
|
6 |
E |
687 |
664 |
0.967 |
155 |
468 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3166 |
2999 |
0.947 |
156 |
469 |
|
|
2 |
A1 |
1524 |
1467 |
0.962 |
156 |
470 |
|
|
3 |
A1 |
703 |
717 |
1.019 |
156 |
471 |
|
|
4 |
A1 |
284 |
282 |
0.994 |
156 |
472 |
|
|
5 |
A2 |
1228 |
1153 |
0.939 |
156 |
473 |
|
|
6 |
B1 |
3240 |
3040 |
0.938 |
156 |
474 |
|
|
7 |
B1 |
918 |
898 |
0.978 |
156 |
475 |
|
|
8 |
B2 |
1341 |
1268 |
0.946 |
156 |
476 |
|
|
9 |
B2 |
732 |
758 |
1.035 |
156 |
477 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1119 |
1105 |
0.987 |
157 |
478 |
|
|
2 |
A1 |
749 |
781 |
1.043 |
157 |
479 |
|
|
3 |
A1 |
458 |
476 |
1.040 |
157 |
480 |
|
|
4 |
E |
1326 |
1212 |
0.914 |
157 |
481 |
|
|
5 |
E |
537 |
563 |
1.048 |
157 |
482 |
|
|
6 |
E |
332 |
350 |
1.054 |
157 |
483 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2143 |
2224 |
1.038 |
158 |
484 |
|
|
2 |
A1 |
960 |
954 |
0.994 |
158 |
485 |
|
|
3 |
A1 |
554 |
527 |
0.951 |
158 |
486 |
|
|
4 |
A1 |
190 |
188 |
0.988 |
158 |
487 |
|
|
5 |
A2 |
727 |
710 |
0.976 |
158 |
488 |
|
|
6 |
B1 |
2159 |
2237 |
1.036 |
158 |
489 |
|
|
7 |
B1 |
571 |
602 |
1.055 |
158 |
490 |
|
|
8 |
B2 |
906 |
876 |
0.967 |
158 |
491 |
|
|
9 |
B2 |
618 |
590 |
0.954 |
158 |
492 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
1060 |
1061 |
1.001 |
159 |
493 |
|
|
2 |
A1 |
828 |
715 |
0.864 |
159 |
494 |
|
|
3 |
A1 |
547 |
549 |
1.003 |
159 |
495 |
|
|
4 |
E |
1317 |
1315 |
0.999 |
159 |
496 |
|
|
5 |
E |
577 |
589 |
1.021 |
159 |
497 |
|
|
6 |
E |
398 |
405 |
1.018 |
159 |
498 |
CHCl3 |
Chloroform |
5 |
E |
1292 |
774 |
0.599 |
160 |
499 |
|
|
6 |
E |
262 |
260 |
0.992 |
160 |
500 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1144 |
1101 |
0.963 |
161 |
501 |
|
|
2 |
A1 |
637 |
667 |
1.047 |
161 |
502 |
|
|
3 |
A1 |
437 |
458 |
1.047 |
161 |
503 |
|
|
4 |
A1 |
261 |
262 |
1.004 |
161 |
504 |
|
|
5 |
A2 |
308 |
322 |
1.045 |
161 |
505 |
|
|
6 |
B1 |
845 |
902 |
1.067 |
161 |
506 |
|
|
7 |
B1 |
416 |
437 |
1.050 |
161 |
507 |
|
|
8 |
B2 |
1267 |
1159 |
0.915 |
161 |
508 |
|
|
9 |
B2 |
410 |
446 |
1.089 |
161 |
509 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1155 |
1085 |
0.939 |
162 |
510 |
|
|
2 |
A1 |
520 |
535 |
1.028 |
162 |
511 |
|
|
3 |
A1 |
349 |
350 |
1.002 |
162 |
512 |
|
|
4 |
E |
832 |
847 |
1.018 |
162 |
513 |
|
|
5 |
E |
383 |
394 |
1.029 |
162 |
514 |
|
|
6 |
E |
249 |
241 |
0.969 |
162 |
515 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1205 |
1205 |
1.000 |
163 |
516 |
|
|
2 |
A1 |
570 |
577 |
1.011 |
163 |
517 |
|
|
3 |
A1 |
407 |
408 |
1.002 |
163 |
518 |
|
|
4 |
A1 |
217 |
218 |
1.007 |
163 |
519 |
|
|
5 |
A2 |
265 |
282 |
1.065 |
163 |
520 |
|
|
6 |
B1 |
585 |
586 |
1.002 |
163 |
521 |
|
|
7 |
B1 |
377 |
388 |
1.030 |
163 |
522 |
|
|
8 |
B2 |
1456 |
1434 |
0.985 |
163 |
523 |
|
|
9 |
B2 |
359 |
362 |
1.008 |
163 |
524 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2472 |
2261 |
0.915 |
164 |
525 |
|
|
2 |
A1 |
509 |
499 |
0.981 |
164 |
526 |
|
|
3 |
A1 |
250 |
254 |
1.015 |
164 |
527 |
|
|
4 |
E |
888 |
811 |
0.913 |
164 |
528 |
|
|
5 |
E |
613 |
600 |
0.979 |
164 |
529 |
|
|
6 |
E |
178 |
176 |
0.988 |
164 |
530 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
461 |
459 |
0.996 |
165 |
531 |
|
|
2 |
E |
223 |
217 |
0.975 |
165 |
532 |
|
|
3 |
T2 |
771 |
776 |
1.007 |
165 |
533 |
|
|
4 |
T2 |
318 |
314 |
0.987 |
165 |
534 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1373 |
1322 |
0.963 |
166 |
535 |
|
|
2 |
A1 |
501 |
481 |
0.961 |
166 |
536 |
|
|
3 |
A1 |
280 |
266 |
0.951 |
166 |
537 |
|
|
4 |
E |
608 |
590 |
0.970 |
166 |
538 |
|
|
5 |
E |
341 |
333 |
0.977 |
166 |
539 |
|
|
6 |
E |
196 |
187 |
0.955 |
166 |
540 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
451 |
424 |
0.941 |
167 |
541 |
|
|
2 |
E |
149 |
150 |
1.006 |
167 |
542 |
|
|
3 |
T2 |
663 |
621 |
0.937 |
167 |
543 |
|
|
4 |
T2 |
218 |
221 |
1.012 |
167 |
544 |
C2H4 |
Ethylene |
1 |
Ag |
3210 |
3026 |
0.943 |
168 |
545 |
|
|
2 |
Ag |
1735 |
1623 |
0.935 |
168 |
546 |
|
|
3 |
Ag |
1435 |
1342 |
0.935 |
168 |
547 |
|
|
4 |
Au |
1085 |
1023 |
0.943 |
168 |
548 |
|
|
5 |
B1u |
3195 |
2989 |
0.936 |
168 |
549 |
|
|
6 |
B1u |
1535 |
1444 |
0.940 |
168 |
550 |
|
|
7 |
B2g |
1041 |
940 |
0.903 |
168 |
551 |
|
|
8 |
B2u |
3291 |
3105 |
0.943 |
168 |
552 |
|
|
9 |
B2u |
876 |
826 |
0.943 |
168 |
553 |
|
|
10 |
B3g |
3262 |
3086 |
0.946 |
168 |
554 |
|
|
11 |
B3g |
1290 |
1217 |
0.943 |
168 |
555 |
|
|
12 |
B3u |
1015 |
949 |
0.935 |
168 |
556 |
C3H3 |
Propargyl radical |
1 |
A1 |
3540 |
3322 |
0.939 |
169 |
557 |
|
|
6 |
B1 |
709 |
687 |
0.969 |
169 |
558 |
|
|
7 |
B1 |
650 |
490 |
0.753 |
169 |
559 |
C4H2 |
Diacetylene |
6 |
Πg |
813 |
627 |
0.772 |
170 |
560 |
|
|
8 |
Πg |
565 |
482 |
0.853 |
170 |
561 |
|
|
10 |
Πu |
810 |
630 |
0.777 |
170 |
562 |
|
|
12 |
Πu |
244 |
231 |
0.946 |
170 |
563 |
N2H4 |
Hydrazine |
1 |
A |
3539 |
3398 |
0.960 |
171 |
564 |
|
|
2 |
A |
3382 |
3329 |
0.984 |
171 |
565 |
|
|
3 |
A |
1741 |
1642 |
0.943 |
171 |
566 |
|
|
4 |
A |
1311 |
1275 |
0.973 |
171 |
567 |
|
|
5 |
A |
1136 |
1076 |
0.947 |
171 |
568 |
|
|
6 |
A |
653 |
780 |
1.195 |
171 |
569 |
|
|
7 |
A |
485 |
377 |
0.776 |
171 |
570 |
|
|
8 |
B |
3547 |
3350 |
0.944 |
171 |
571 |
|
|
9 |
B |
3370 |
3314 |
0.983 |
171 |
572 |
|
|
10 |
B |
1723 |
1628 |
0.945 |
171 |
573 |
|
|
11 |
B |
1296 |
1275 |
0.984 |
171 |
574 |
|
|
12 |
B |
829 |
966 |
1.165 |
171 |
575 |
CH3CN |
Acetonitrile |
1 |
A1 |
3099 |
2954 |
0.953 |
172 |
576 |
|
|
2 |
A1 |
2418 |
2267 |
0.938 |
172 |
577 |
|
|
3 |
A1 |
1485 |
1385 |
0.933 |
172 |
578 |
|
|
4 |
A1 |
940 |
920 |
0.979 |
172 |
579 |
|
|
5 |
E |
3169 |
3009 |
0.949 |
172 |
580 |
|
|
6 |
E |
1547 |
1448 |
0.936 |
172 |
581 |
|
|
7 |
E |
1130 |
1041 |
0.922 |
172 |
582 |
|
|
8 |
E |
461 |
362 |
0.785 |
172 |
583 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2507 |
2290 |
0.914 |
173 |
584 |
|
|
2 |
Σg |
2271 |
2119 |
0.933 |
173 |
585 |
|
|
3 |
Σg |
623 |
692 |
1.111 |
173 |
586 |
|
|
4 |
Σu |
2402 |
2241 |
0.933 |
173 |
587 |
|
|
5 |
Σu |
1191 |
1154 |
0.969 |
173 |
588 |
|
|
6 |
Πg |
944 |
504 |
0.534 |
173 |
589 |
|
|
8 |
Πg |
348 |
263 |
0.755 |
173 |
590 |
|
|
10 |
Πu |
699 |
472 |
0.675 |
173 |
591 |
|
|
12 |
Πu |
115 |
107 |
0.929 |
173 |
592 |
CH3OH |
Methyl alcohol |
1 |
A' |
3571 |
3681 |
1.031 |
174 |
593 |
|
|
2 |
A' |
3185 |
3000 |
0.942 |
174 |
594 |
|
|
3 |
A' |
3010 |
2844 |
0.945 |
174 |
595 |
|
|
4 |
A' |
1585 |
1477 |
0.932 |
174 |
596 |
|
|
5 |
A' |
1535 |
1455 |
0.948 |
174 |
597 |
|
|
6 |
A' |
1394 |
1345 |
0.965 |
174 |
598 |
|
|
7 |
A' |
1096 |
1060 |
0.967 |
174 |
599 |
|
|
8 |
A' |
1033 |
1033 |
1.000 |
174 |
600 |
|
|
9 |
A" |
3051 |
2960 |
0.970 |
174 |
601 |
|
|
10 |
A" |
1581 |
1477 |
0.934 |
174 |
602 |
|
|
11 |
A" |
1168 |
1165 |
0.997 |
174 |
603 |
|
|
12 |
A" |
356 |
200 |
0.562 |
174 |
604 |
CHONH2 |
formamide |
1 |
A' |
3703 |
3564 |
0.962 |
175 |
605 |
|
|
2 |
A' |
3564 |
3439 |
0.965 |
175 |
606 |
|
|
3 |
A' |
3023 |
2854 |
0.944 |
175 |
607 |
|
|
4 |
A' |
1801 |
1754 |
0.974 |
175 |
608 |
|
|
5 |
A' |
1670 |
1577 |
0.944 |
175 |
609 |
|
|
6 |
A' |
1466 |
1390 |
0.949 |
175 |
610 |
|
|
7 |
A' |
1287 |
1258 |
0.978 |
175 |
611 |
|
|
8 |
A' |
1080 |
1046 |
0.968 |
175 |
612 |
|
|
9 |
A' |
575 |
581 |
1.010 |
175 |
613 |
|
|
10 |
A" |
1101 |
1021 |
0.928 |
175 |
614 |
|
|
11 |
A" |
700 |
603 |
0.861 |
175 |
615 |
|
|
12 |
A" |
553 |
289 |
0.522 |
175 |
616 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3037 |
2843 |
0.936 |
176 |
617 |
|
|
2 |
Ag |
1791 |
1745 |
0.974 |
176 |
618 |
|
|
3 |
Ag |
1391 |
1338 |
0.962 |
176 |
619 |
|
|
4 |
Ag |
1037 |
1065 |
1.027 |
176 |
620 |
|
|
5 |
Ag |
558 |
551 |
0.988 |
176 |
621 |
|
|
6 |
Au |
879 |
801 |
0.911 |
176 |
622 |
|
|
7 |
Au |
207 |
127 |
0.613 |
176 |
623 |
|
|
8 |
Bg |
1128 |
1048 |
0.929 |
176 |
624 |
|
|
9 |
Bu |
3038 |
2835 |
0.933 |
176 |
625 |
|
|
10 |
Bu |
1777 |
1732 |
0.975 |
176 |
626 |
|
|
11 |
Bu |
1353 |
1312 |
0.970 |
176 |
627 |
|
|
12 |
Bu |
313 |
339 |
1.083 |
176 |
628 |
CH3SH |
Methanethiol |
1 |
A' |
3187 |
3000 |
0.941 |
177 |
629 |
|
|
2 |
A' |
3106 |
2931 |
0.944 |
177 |
630 |
|
|
3 |
A' |
2710 |
2597 |
0.958 |
177 |
631 |
|
|
4 |
A' |
1559 |
1475 |
0.946 |
177 |
632 |
|
|
5 |
A' |
1435 |
1335 |
0.930 |
177 |
633 |
|
|
6 |
A' |
1146 |
1074 |
0.937 |
177 |
634 |
|
|
7 |
A' |
838 |
803 |
0.959 |
177 |
635 |
|
|
8 |
A' |
720 |
708 |
0.983 |
177 |
636 |
|
|
9 |
A" |
3189 |
3000 |
0.941 |
177 |
637 |
|
|
10 |
A" |
1553 |
1430 |
0.921 |
177 |
638 |
|
|
11 |
A" |
1016 |
976 |
0.961 |
177 |
639 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3319 |
3115 |
0.938 |
178 |
640 |
|
|
2 |
A' |
3268 |
3080 |
0.943 |
178 |
641 |
|
|
3 |
A' |
3228 |
3052 |
0.945 |
178 |
642 |
|
|
4 |
A' |
1774 |
1654 |
0.932 |
178 |
643 |
|
|
5 |
A' |
1487 |
1380 |
0.928 |
178 |
644 |
|
|
6 |
A' |
1390 |
1306 |
0.939 |
178 |
645 |
|
|
7 |
A' |
1210 |
1156 |
0.956 |
178 |
646 |
|
|
8 |
A' |
976 |
929 |
0.952 |
178 |
647 |
|
|
9 |
A' |
482 |
483 |
1.002 |
178 |
648 |
|
|
10 |
A" |
1042 |
940 |
0.902 |
178 |
649 |
|
|
11 |
A" |
982 |
863 |
0.878 |
178 |
650 |
|
|
12 |
A" |
749 |
711 |
0.949 |
178 |
651 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3264 |
3070 |
0.941 |
179 |
652 |
|
|
2 |
A1 |
1842 |
1728 |
0.938 |
179 |
653 |
|
|
3 |
A1 |
1484 |
1360 |
0.917 |
179 |
654 |
|
|
4 |
A1 |
957 |
926 |
0.968 |
179 |
655 |
|
|
5 |
A1 |
533 |
550 |
1.033 |
179 |
656 |
|
|
6 |
A2 |
751 |
714 |
0.950 |
179 |
657 |
|
|
7 |
B1 |
961 |
803 |
0.835 |
179 |
658 |
|
|
8 |
B1 |
658 |
611 |
0.928 |
179 |
659 |
|
|
9 |
B2 |
3361 |
3154 |
0.938 |
179 |
660 |
|
|
10 |
B2 |
1407 |
1302 |
0.926 |
179 |
661 |
|
|
11 |
B2 |
1003 |
955 |
0.952 |
179 |
662 |
|
|
12 |
B2 |
442 |
438 |
0.991 |
179 |
663 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2434 |
2275 |
0.935 |
180 |
664 |
|
|
2 |
A1 |
1267 |
1227 |
0.968 |
180 |
665 |
|
|
3 |
A1 |
806 |
802 |
0.996 |
180 |
666 |
|
|
4 |
A1 |
511 |
522 |
1.022 |
180 |
667 |
|
|
5 |
E |
1331 |
1214 |
0.912 |
180 |
668 |
|
|
6 |
E |
661 |
618 |
0.935 |
180 |
669 |
|
|
7 |
E |
474 |
463 |
0.978 |
180 |
670 |
|
|
8 |
E |
207 |
196 |
0.947 |
180 |
671 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1970 |
1872 |
0.950 |
181 |
672 |
|
|
2 |
Ag |
798 |
778 |
0.975 |
181 |
673 |
|
|
3 |
Ag |
388 |
394 |
1.016 |
181 |
674 |
|
|
4 |
Au |
206 |
190 |
0.921 |
181 |
675 |
|
|
5 |
B1u |
1234 |
1186 |
0.961 |
181 |
676 |
|
|
6 |
B1u |
538 |
558 |
1.037 |
181 |
677 |
|
|
7 |
B2g |
613 |
508 |
0.829 |
181 |
678 |
|
|
8 |
B2u |
1420 |
1337 |
0.941 |
181 |
679 |
|
|
9 |
B2u |
215 |
218 |
1.012 |
181 |
680 |
|
|
10 |
B3g |
1398 |
1340 |
0.958 |
181 |
681 |
|
|
11 |
B3g |
543 |
551 |
1.014 |
181 |
682 |
|
|
12 |
B3u |
455 |
406 |
0.893 |
181 |
683 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
867 |
816 |
0.941 |
182 |
684 |
|
|
2 |
A1' |
756 |
648 |
0.858 |
182 |
685 |
|
|
3 |
A2" |
1121 |
947 |
0.845 |
182 |
686 |
|
|
4 |
A2" |
572 |
575 |
1.006 |
182 |
687 |
|
|
5 |
E' |
1137 |
1024 |
0.900 |
182 |
688 |
|
|
6 |
E' |
525 |
533 |
1.016 |
182 |
689 |
|
|
7 |
E' |
169 |
174 |
1.030 |
182 |
690 |
|
|
8 |
E" |
504 |
520 |
1.032 |
182 |
691 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3553 |
3602 |
1.014 |
183 |
692 |
|
|
2 |
A |
1509 |
1486 |
0.985 |
183 |
693 |
|
|
3 |
A |
1274 |
1243 |
0.976 |
183 |
694 |
|
|
4 |
A |
1117 |
1150 |
1.030 |
183 |
695 |
|
|
5 |
A |
973 |
896 |
0.921 |
183 |
696 |
|
|
6 |
A |
902 |
823 |
0.912 |
183 |
697 |
|
|
7 |
A |
547 |
562 |
1.028 |
183 |
698 |
|
|
8 |
A |
533 |
551 |
1.034 |
183 |
699 |
|
|
9 |
A |
514 |
518 |
1.008 |
183 |
700 |
|
|
10 |
A |
419 |
409 |
0.976 |
183 |
701 |
|
|
11 |
A |
374 |
390 |
1.042 |
183 |
702 |
|
|
12 |
A |
305 |
266 |
0.874 |
183 |
703 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3259 |
3121 |
0.958 |
184 |
704 |
|
|
2 |
A' |
3176 |
3086 |
0.972 |
184 |
705 |
|
|
3 |
A' |
3157 |
3030 |
0.960 |
184 |
706 |
|
|
4 |
A' |
1712 |
1608 |
0.940 |
184 |
707 |
|
|
5 |
A' |
1470 |
1368 |
0.931 |
184 |
708 |
|
|
6 |
A' |
1341 |
1279 |
0.953 |
184 |
709 |
|
|
7 |
A' |
1091 |
1030 |
0.944 |
184 |
710 |
|
|
8 |
A' |
710 |
720 |
1.014 |
184 |
711 |
|
|
9 |
A' |
413 |
395 |
0.956 |
184 |
712 |
|
|
10 |
A" |
1014 |
941 |
0.928 |
184 |
713 |
|
|
11 |
A" |
987 |
896 |
0.908 |
184 |
714 |
|
|
12 |
A" |
649 |
620 |
0.956 |
184 |
715 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3208 |
3035 |
0.946 |
185 |
716 |
|
|
2 |
A1 |
1706 |
1627 |
0.953 |
185 |
717 |
|
|
3 |
A1 |
1474 |
1400 |
0.950 |
185 |
718 |
|
|
4 |
A1 |
611 |
603 |
0.986 |
185 |
719 |
|
|
5 |
A1 |
293 |
299 |
1.020 |
185 |
720 |
|
|
6 |
A2 |
727 |
686 |
0.944 |
185 |
721 |
|
|
7 |
B1 |
1002 |
875 |
0.874 |
185 |
722 |
|
|
8 |
B1 |
466 |
460 |
0.988 |
185 |
723 |
|
|
9 |
B2 |
3301 |
3130 |
0.948 |
185 |
724 |
|
|
10 |
B2 |
1154 |
1095 |
0.949 |
185 |
725 |
|
|
11 |
B2 |
768 |
800 |
1.042 |
185 |
726 |
|
|
12 |
B2 |
397 |
372 |
0.937 |
185 |
727 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3284 |
3077 |
0.937 |
186 |
728 |
|
|
2 |
A1 |
1693 |
1587 |
0.937 |
186 |
729 |
|
|
3 |
A1 |
1270 |
1179 |
0.929 |
186 |
730 |
|
|
4 |
A1 |
726 |
711 |
0.980 |
186 |
731 |
|
|
5 |
A1 |
185 |
173 |
0.936 |
186 |
732 |
|
|
6 |
A2 |
1009 |
876 |
0.868 |
186 |
733 |
|
|
7 |
A2 |
421 |
406 |
0.964 |
186 |
734 |
|
|
8 |
B1 |
776 |
697 |
0.898 |
186 |
735 |
|
|
9 |
B2 |
3263 |
3072 |
0.942 |
186 |
736 |
|
|
10 |
B2 |
1377 |
1303 |
0.946 |
186 |
737 |
|
|
11 |
B2 |
866 |
857 |
0.990 |
186 |
738 |
|
|
12 |
B2 |
601 |
571 |
0.950 |
186 |
739 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3228 |
3073 |
0.952 |
187 |
740 |
|
|
2 |
Ag |
1706 |
1578 |
0.925 |
187 |
741 |
|
|
3 |
Ag |
1358 |
1274 |
0.938 |
187 |
742 |
|
|
4 |
Ag |
858 |
846 |
0.986 |
187 |
743 |
|
|
5 |
Ag |
363 |
350 |
0.964 |
187 |
744 |
|
|
6 |
Au |
990 |
900 |
0.909 |
187 |
745 |
|
|
7 |
Au |
193 |
227 |
1.175 |
187 |
746 |
|
|
8 |
Bg |
878 |
763 |
0.869 |
187 |
747 |
|
|
9 |
Bu |
3228 |
3090 |
0.957 |
187 |
748 |
|
|
10 |
Bu |
1287 |
1200 |
0.933 |
187 |
749 |
|
|
11 |
Bu |
825 |
828 |
1.004 |
187 |
750 |
|
|
12 |
Bu |
237 |
250 |
1.053 |
187 |
751 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3250 |
3082 |
0.948 |
188 |
752 |
|
|
2 |
A' |
1692 |
1586 |
0.938 |
188 |
753 |
|
|
3 |
A' |
1338 |
1247 |
0.932 |
188 |
754 |
|
|
4 |
A' |
926 |
931 |
1.005 |
188 |
755 |
|
|
5 |
A' |
844 |
840 |
0.995 |
188 |
756 |
|
|
6 |
A' |
637 |
630 |
0.988 |
188 |
757 |
|
|
7 |
A' |
394 |
384 |
0.976 |
188 |
758 |
|
|
8 |
A' |
280 |
277 |
0.991 |
188 |
759 |
|
|
9 |
A' |
183 |
178 |
0.971 |
188 |
760 |
|
|
10 |
A" |
895 |
780 |
0.872 |
188 |
761 |
|
|
11 |
A" |
490 |
451 |
0.920 |
188 |
762 |
|
|
12 |
A" |
203 |
215 |
1.061 |
188 |
763 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1162 |
1122 |
0.965 |
189 |
764 |
|
|
2 |
A1 |
412 |
401 |
0.973 |
189 |
765 |
|
|
3 |
A1 |
175 |
176 |
1.007 |
189 |
766 |
|
|
5 |
B2 |
754 |
728 |
0.966 |
189 |
767 |
|
|
6 |
B2 |
294 |
289 |
0.981 |
189 |
768 |
|
|
7 |
E |
935 |
917 |
0.981 |
189 |
769 |
|
|
8 |
E |
505 |
512 |
1.014 |
189 |
770 |
|
|
9 |
E |
94 |
104 |
1.109 |
189 |
771 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1664 |
1571 |
0.944 |
190 |
772 |
|
|
2 |
Ag |
452 |
447 |
0.989 |
190 |
773 |
|
|
3 |
Ag |
245 |
237 |
0.968 |
190 |
774 |
|
|
4 |
Au |
86 |
110 |
1.274 |
190 |
775 |
|
|
5 |
B1u |
806 |
777 |
0.964 |
190 |
776 |
|
|
6 |
B1u |
312 |
310 |
0.994 |
190 |
777 |
|
|
7 |
B2g |
578 |
512 |
0.885 |
190 |
778 |
|
|
8 |
B2u |
894 |
908 |
1.015 |
190 |
779 |
|
|
9 |
B2u |
187 |
176 |
0.940 |
190 |
780 |
|
|
10 |
B3g |
981 |
1000 |
1.019 |
190 |
781 |
|
|
11 |
B3g |
368 |
347 |
0.944 |
190 |
782 |
|
|
12 |
B3u |
260 |
288 |
1.106 |
190 |
783 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
412 |
394 |
0.956 |
191 |
784 |
|
|
2 |
A1' |
280 |
264 |
0.942 |
191 |
785 |
|
|
3 |
A2" |
438 |
465 |
1.061 |
191 |
786 |
|
|
4 |
A2" |
313 |
299 |
0.955 |
191 |
787 |
|
|
5 |
E' |
609 |
592 |
0.972 |
191 |
788 |
|
|
6 |
E' |
279 |
273 |
0.979 |
191 |
789 |
|
|
7 |
E' |
96 |
100 |
1.041 |
191 |
790 |
|
|
8 |
E" |
272 |
282 |
1.038 |
191 |
791 |
CH3CCH |
propyne |
1 |
A1 |
3529 |
3334 |
0.945 |
192 |
792 |
|
|
2 |
A1 |
3084 |
2918 |
0.946 |
192 |
793 |
|
|
3 |
A1 |
2288 |
2124 |
0.928 |
192 |
794 |
|
|
4 |
A1 |
1476 |
1382 |
0.937 |
192 |
795 |
|
|
5 |
A1 |
937 |
931 |
0.993 |
192 |
796 |
|
|
6 |
E |
3148 |
3008 |
0.955 |
192 |
797 |
|
|
7 |
E |
1553 |
1452 |
0.935 |
192 |
798 |
|
|
8 |
E |
1112 |
1053 |
0.947 |
192 |
799 |
|
|
9 |
E |
792 |
633 |
0.799 |
192 |
800 |
|
|
10 |
E |
366 |
328 |
0.895 |
192 |
801 |
CH2CCH2 |
allene |
1 |
A1 |
3192 |
3015 |
0.945 |
193 |
802 |
|
|
2 |
A1 |
1535 |
1443 |
0.940 |
193 |
803 |
|
|
3 |
A1 |
1139 |
1073 |
0.942 |
193 |
804 |
|
|
4 |
B1 |
905 |
865 |
0.956 |
193 |
805 |
|
|
5 |
B2 |
3190 |
3007 |
0.943 |
193 |
806 |
|
|
6 |
B2 |
2115 |
1957 |
0.925 |
193 |
807 |
|
|
7 |
B2 |
1486 |
1398 |
0.941 |
193 |
808 |
|
|
8 |
E |
3264 |
3086 |
0.945 |
193 |
809 |
|
|
9 |
E |
1075 |
999 |
0.930 |
193 |
810 |
|
|
10 |
E |
943 |
841 |
0.891 |
193 |
811 |
|
|
11 |
E |
373 |
355 |
0.953 |
193 |
812 |
C3H4 |
cyclopropene |
1 |
A1 |
3402 |
3158 |
0.928 |
194 |
813 |
|
|
2 |
A1 |
3152 |
2909 |
0.923 |
194 |
814 |
|
|
3 |
A1 |
1744 |
1653 |
0.948 |
194 |
815 |
|
|
4 |
A1 |
1568 |
1483 |
0.946 |
194 |
816 |
|
|
5 |
A1 |
1147 |
1110 |
0.968 |
194 |
817 |
|
|
6 |
A1 |
944 |
905 |
0.958 |
194 |
818 |
|
|
7 |
A2 |
1049 |
996 |
0.950 |
194 |
819 |
|
|
8 |
A2 |
933 |
820 |
0.879 |
194 |
820 |
|
|
9 |
B1 |
3230 |
2995 |
0.927 |
194 |
821 |
|
|
10 |
B1 |
1130 |
1088 |
0.963 |
194 |
822 |
|
|
11 |
B1 |
684 |
569 |
0.832 |
194 |
823 |
|
|
12 |
B2 |
3351 |
3124 |
0.932 |
194 |
824 |
|
|
13 |
B2 |
1121 |
1043 |
0.931 |
194 |
825 |
|
|
14 |
B2 |
1079 |
1011 |
0.937 |
194 |
826 |
|
|
15 |
B2 |
788 |
769 |
0.975 |
194 |
827 |
CH3NH2 |
methyl amine |
1 |
A' |
3473 |
3361 |
0.968 |
195 |
828 |
|
|
2 |
A' |
3112 |
2961 |
0.951 |
195 |
829 |
|
|
3 |
A' |
2993 |
2820 |
0.942 |
195 |
830 |
|
|
4 |
A' |
1725 |
1623 |
0.941 |
195 |
831 |
|
|
5 |
A' |
1574 |
1473 |
0.936 |
195 |
832 |
|
|
6 |
A' |
1510 |
1430 |
0.947 |
195 |
833 |
|
|
7 |
A' |
1174 |
1130 |
0.962 |
195 |
834 |
|
|
8 |
A' |
1074 |
1044 |
0.972 |
195 |
835 |
|
|
9 |
A' |
680 |
780 |
1.147 |
195 |
836 |
|
|
10 |
A" |
3576 |
3427 |
0.958 |
195 |
837 |
|
|
11 |
A" |
3151 |
2985 |
0.947 |
195 |
838 |
|
|
12 |
A" |
1597 |
1485 |
0.930 |
195 |
839 |
|
|
13 |
A" |
1362 |
1335 |
0.980 |
195 |
840 |
|
|
14 |
A" |
992 |
|
|
195 |
841 |
|
|
15 |
A" |
316 |
268 |
0.849 |
195 |
842 |
C3H3N |
acrylonitrile |
1 |
A' |
3250 |
3125 |
0.962 |
196 |
843 |
|
|
2 |
A' |
3187 |
3078 |
0.966 |
196 |
844 |
|
|
3 |
A' |
3162 |
3042 |
0.962 |
196 |
845 |
|
|
4 |
A' |
2377 |
2239 |
0.942 |
196 |
846 |
|
|
5 |
A' |
1714 |
1615 |
0.942 |
196 |
847 |
|
|
6 |
A' |
1500 |
1416 |
0.944 |
196 |
848 |
|
|
7 |
A' |
1362 |
1282 |
0.941 |
196 |
849 |
|
|
8 |
A' |
1152 |
1096 |
0.951 |
196 |
850 |
|
|
9 |
A' |
890 |
869 |
0.976 |
196 |
851 |
|
|
10 |
A' |
630 |
570 |
0.905 |
196 |
852 |
|
|
11 |
A' |
266 |
242 |
0.910 |
196 |
853 |
|
|
12 |
A" |
1054 |
972 |
0.923 |
196 |
854 |
|
|
13 |
A" |
1028 |
954 |
0.928 |
196 |
855 |
|
|
14 |
A" |
774 |
683 |
0.883 |
196 |
856 |
|
|
15 |
A" |
395 |
362 |
0.916 |
196 |
857 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3132 |
2935 |
0.937 |
197 |
858 |
|
|
2 |
A1 |
2436 |
2275 |
0.934 |
197 |
859 |
|
|
3 |
A1 |
1518 |
1395 |
0.919 |
197 |
860 |
|
|
4 |
A1 |
934 |
890 |
0.953 |
197 |
861 |
|
|
5 |
A1 |
646 |
582 |
0.901 |
197 |
862 |
|
|
6 |
A1 |
189 |
167 |
0.885 |
197 |
863 |
|
|
7 |
A2 |
1344 |
1220 |
0.908 |
197 |
864 |
|
|
8 |
A2 |
475 |
367 |
0.773 |
197 |
865 |
|
|
9 |
B1 |
3172 |
2968 |
0.936 |
197 |
866 |
|
|
10 |
B1 |
1003 |
933 |
0.930 |
197 |
867 |
|
|
11 |
B1 |
445 |
337 |
0.758 |
197 |
868 |
|
|
12 |
B2 |
2433 |
2275 |
0.935 |
197 |
869 |
|
|
13 |
B2 |
1417 |
1318 |
0.930 |
197 |
870 |
|
|
14 |
B2 |
1011 |
982 |
0.971 |
197 |
871 |
|
|
15 |
B2 |
475 |
366 |
0.770 |
197 |
872 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3620 |
3447 |
0.952 |
198 |
873 |
|
|
2 |
A' |
3346 |
3102 |
0.927 |
198 |
874 |
|
|
3 |
A' |
1468 |
1441 |
0.982 |
198 |
875 |
|
|
4 |
A' |
1393 |
1384 |
0.994 |
198 |
876 |
|
|
5 |
A' |
1244 |
1259 |
1.012 |
198 |
877 |
|
|
6 |
A' |
1177 |
1159 |
0.985 |
198 |
878 |
|
|
7 |
A' |
1126 |
1084 |
0.963 |
198 |
879 |
|
|
8 |
A' |
1028 |
1015 |
0.987 |
198 |
880 |
|
|
9 |
A' |
1001 |
1002 |
1.001 |
198 |
881 |
|
|
10 |
A' |
923 |
969 |
1.050 |
198 |
882 |
|
|
11 |
A' |
829 |
925 |
1.115 |
198 |
883 |
|
|
12 |
A" |
955 |
906 |
0.949 |
198 |
884 |
|
|
13 |
A" |
702 |
663 |
0.945 |
198 |
885 |
|
|
14 |
A" |
689 |
658 |
0.954 |
198 |
886 |
|
|
15 |
A" |
659 |
578 |
0.878 |
198 |
887 |
CH3PH2 |
Methyl phosphine |
1 |
A' |
3127 |
3000 |
0.959 |
199 |
888 |
|
|
2 |
A' |
3046 |
2938 |
0.965 |
199 |
889 |
|
|
3 |
A' |
2474 |
2297 |
0.929 |
199 |
890 |
|
|
4 |
A' |
1550 |
1450 |
0.935 |
199 |
891 |
|
|
5 |
A' |
1402 |
1238 |
0.883 |
199 |
892 |
|
|
6 |
A' |
1190 |
1086 |
0.913 |
199 |
893 |
|
|
7 |
A' |
1037 |
977 |
0.942 |
199 |
894 |
|
|
8 |
A' |
771 |
740 |
0.960 |
199 |
895 |
|
|
9 |
A' |
695 |
677 |
0.975 |
199 |
896 |
|
|
10 |
A" |
3128 |
2992 |
0.957 |
199 |
897 |
|
|
11 |
A" |
2471 |
2312 |
0.936 |
199 |
898 |
|
|
12 |
A" |
1540 |
1450 |
0.942 |
199 |
899 |
|
|
13 |
A" |
1085 |
1017 |
0.937 |
199 |
900 |
|
|
15 |
A" |
238 |
207 |
0.868 |
199 |
901 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3199 |
3014 |
0.942 |
200 |
902 |
|
|
2 |
A' |
3079 |
2923 |
0.949 |
200 |
903 |
|
|
3 |
A' |
2974 |
2716 |
0.913 |
200 |
904 |
|
|
4 |
A' |
1801 |
1743 |
0.968 |
200 |
905 |
|
|
5 |
A' |
1523 |
1433 |
0.941 |
200 |
906 |
|
|
6 |
A' |
1468 |
1395 |
0.950 |
200 |
907 |
|
|
7 |
A' |
1438 |
1352 |
0.940 |
200 |
908 |
|
|
8 |
A' |
1143 |
1114 |
0.975 |
200 |
909 |
|
|
9 |
A' |
899 |
867 |
0.964 |
200 |
910 |
|
|
10 |
A' |
497 |
509 |
1.025 |
200 |
911 |
|
|
11 |
A" |
3136 |
2964 |
0.945 |
200 |
912 |
|
|
12 |
A" |
1541 |
1431 |
0.928 |
200 |
913 |
|
|
13 |
A" |
1174 |
1102 |
0.939 |
200 |
914 |
|
|
14 |
A" |
822 |
764 |
0.929 |
200 |
915 |
|
|
15 |
A" |
161 |
150 |
0.933 |
200 |
916 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3189 |
3006 |
0.943 |
201 |
917 |
|
|
2 |
A1 |
1578 |
1467 |
0.930 |
201 |
918 |
|
|
3 |
A1 |
1255 |
1267 |
1.009 |
201 |
919 |
|
|
4 |
A1 |
1159 |
1146 |
0.988 |
201 |
920 |
|
|
5 |
A1 |
865 |
857 |
0.991 |
201 |
921 |
|
|
6 |
A2 |
3268 |
3063 |
0.937 |
201 |
922 |
|
|
7 |
A2 |
1201 |
1050 |
0.874 |
201 |
923 |
|
|
8 |
A2 |
1015 |
1020 |
1.005 |
201 |
924 |
|
|
9 |
B1 |
3285 |
3065 |
0.933 |
201 |
925 |
|
|
10 |
B1 |
1136 |
1146 |
1.009 |
201 |
926 |
|
|
11 |
B1 |
847 |
797 |
0.941 |
201 |
927 |
|
|
12 |
B2 |
3179 |
3006 |
0.946 |
201 |
928 |
|
|
13 |
B2 |
1553 |
1459 |
0.939 |
201 |
929 |
|
|
14 |
B2 |
1152 |
1159 |
1.006 |
201 |
930 |
|
|
15 |
B2 |
860 |
824 |
0.958 |
201 |
931 |
CH3ONO |
Methyl nitrite |
1 |
A' |
3190 |
3037 |
0.952 |
202 |
932 |
|
|
2 |
A' |
3053 |
2950 |
0.966 |
202 |
933 |
|
|
3 |
A' |
1559 |
1613 |
1.035 |
202 |
934 |
|
|
4 |
A' |
1498 |
1454 |
0.971 |
202 |
935 |
|
|
5 |
A' |
1442 |
1408 |
0.977 |
202 |
936 |
|
|
6 |
A' |
1174 |
1239 |
1.055 |
202 |
937 |
|
|
7 |
A' |
1026 |
991 |
0.965 |
202 |
938 |
|
|
8 |
A' |
874 |
838 |
0.959 |
202 |
939 |
|
|
9 |
A' |
728 |
627 |
0.861 |
202 |
940 |
|
|
10 |
A' |
381 |
346 |
0.909 |
202 |
941 |
|
|
11 |
A" |
3119 |
2991 |
0.959 |
202 |
942 |
|
|
12 |
A" |
1547 |
1438 |
0.930 |
202 |
943 |
|
|
13 |
A" |
1156 |
1143 |
0.989 |
202 |
944 |
|
|
14 |
A" |
353 |
|
|
202 |
945 |
|
|
15 |
A" |
209 |
186 |
0.890 |
202 |
946 |
C2H4S |
Thiirane |
1 |
A1 |
3153 |
3014 |
0.956 |
203 |
947 |
|
|
2 |
A1 |
1534 |
1457 |
0.950 |
203 |
948 |
|
|
5 |
A1 |
646 |
627 |
0.971 |
203 |
949 |
|
|
11 |
B1 |
852 |
824 |
0.967 |
203 |
950 |
|
|
12 |
B2 |
3151 |
3013 |
0.956 |
203 |
951 |
|
|
14 |
B2 |
1137 |
1051 |
0.924 |
203 |
952 |
H2SO4 |
Sulfuric acid |
1 |
A |
3595 |
3563 |
0.991 |
204 |
953 |
|
|
2 |
A |
1257 |
1216 |
0.967 |
204 |
954 |
|
|
3 |
A |
1117 |
1136 |
1.017 |
204 |
955 |
|
|
4 |
A |
888 |
831 |
0.937 |
204 |
956 |
|
|
5 |
A |
548 |
548 |
1.000 |
204 |
957 |
|
|
6 |
A |
447 |
422 |
0.943 |
204 |
958 |
|
|
7 |
A |
372 |
379 |
1.018 |
204 |
959 |
|
|
8 |
A |
309 |
224 |
0.724 |
204 |
960 |
|
|
9 |
B |
3591 |
3567 |
0.993 |
204 |
961 |
|
|
10 |
B |
1497 |
1452 |
0.970 |
204 |
962 |
|
|
11 |
B |
1150 |
1157 |
1.006 |
204 |
963 |
|
|
12 |
B |
961 |
882 |
0.917 |
204 |
964 |
|
|
13 |
B |
550 |
558 |
1.015 |
204 |
965 |
|
|
14 |
B |
498 |
506 |
1.017 |
204 |
966 |
|
|
15 |
B |
370 |
288 |
0.778 |
204 |
967 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3167 |
3043 |
0.961 |
205 |
968 |
|
|
2 |
A' |
3054 |
2955 |
0.967 |
205 |
969 |
|
|
3 |
A' |
1930 |
1870 |
0.969 |
205 |
970 |
|
|
4 |
A' |
1523 |
1440 |
0.946 |
205 |
971 |
|
|
5 |
A' |
1452 |
1378 |
0.949 |
205 |
972 |
|
|
6 |
A' |
1273 |
1188 |
0.933 |
205 |
973 |
|
|
7 |
A' |
1035 |
1000 |
0.966 |
205 |
974 |
|
|
8 |
A' |
867 |
826 |
0.952 |
205 |
975 |
|
|
9 |
A' |
604 |
598 |
0.990 |
205 |
976 |
|
|
10 |
A' |
387 |
420 |
1.087 |
205 |
977 |
|
|
11 |
A" |
3116 |
3004 |
0.964 |
205 |
978 |
|
|
12 |
A" |
1527 |
1437 |
0.941 |
205 |
979 |
|
|
13 |
A" |
1110 |
1054 |
0.950 |
205 |
980 |
|
|
14 |
A" |
575 |
567 |
0.986 |
205 |
981 |
|
|
15 |
A" |
91i |
123 |
-1.355 |
205 |
982 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
839 |
774 |
0.922 |
206 |
983 |
|
|
2 |
Eg |
762 |
642 |
0.843 |
206 |
984 |
|
|
3 |
T1u |
1133 |
948 |
0.836 |
206 |
985 |
|
|
4 |
T1u |
602 |
616 |
1.023 |
206 |
986 |
|
|
5 |
T2g |
509 |
525 |
1.031 |
206 |
987 |
|
|
6 |
T2u |
342 |
347 |
1.015 |
206 |
988 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3202 |
3027 |
0.945 |
207 |
989 |
|
|
2 |
A' |
3070 |
2948 |
0.960 |
207 |
990 |
|
|
3 |
A' |
1878 |
1818 |
0.968 |
207 |
991 |
|
|
4 |
A' |
1516 |
1415 |
0.933 |
207 |
992 |
|
|
5 |
A' |
1449 |
1368 |
0.944 |
207 |
993 |
|
|
6 |
A' |
1135 |
1108 |
0.976 |
207 |
994 |
|
|
7 |
A' |
960 |
956 |
0.996 |
207 |
995 |
|
|
8 |
A' |
586 |
604 |
1.031 |
207 |
996 |
|
|
9 |
A' |
441 |
445 |
1.008 |
207 |
997 |
|
|
10 |
A' |
355 |
348 |
0.980 |
207 |
998 |
|
|
11 |
A" |
3134 |
2990 |
0.954 |
207 |
999 |
|
|
12 |
A" |
1535 |
1431 |
0.932 |
207 |
1000 |
|
|
13 |
A" |
1098 |
1032 |
0.940 |
207 |
1001 |
|
|
14 |
A" |
542 |
518 |
0.956 |
207 |
1002 |
|
|
15 |
A" |
158 |
166 |
1.048 |
207 |
1003 |
B2H6 |
Diborane |
1 |
Ag |
2713 |
2530 |
0.933 |
208 |
1004 |
|
|
2 |
Ag |
2201 |
2088 |
0.949 |
208 |
1005 |
|
|
3 |
Ag |
1212 |
1183 |
0.976 |
208 |
1006 |
|
|
4 |
Ag |
811 |
790 |
0.974 |
208 |
1007 |
|
|
5 |
Au |
895 |
833 |
0.931 |
208 |
1008 |
|
|
6 |
B1g |
2805 |
2596 |
0.925 |
208 |
1009 |
|
|
7 |
B1g |
926 |
915 |
0.988 |
208 |
1010 |
|
|
8 |
B1u |
2000 |
1930 |
0.965 |
208 |
1011 |
|
|
9 |
B1u |
1017 |
973 |
0.956 |
208 |
1012 |
|
|
10 |
B2g |
1925 |
1760 |
0.914 |
208 |
1013 |
|
|
11 |
B2g |
922 |
860 |
0.933 |
208 |
1014 |
|
|
12 |
B2u |
2817 |
2609 |
0.926 |
208 |
1015 |
|
|
13 |
B2u |
992 |
949 |
0.957 |
208 |
1016 |
|
|
14 |
B2u |
384 |
369 |
0.961 |
208 |
1017 |
|
|
15 |
B3g |
1133 |
1020 |
0.900 |
208 |
1018 |
|
|
16 |
B3u |
2704 |
2520 |
0.932 |
208 |
1019 |
|
|
17 |
B3u |
1768 |
1603 |
0.907 |
208 |
1020 |
|
|
18 |
B3u |
1212 |
1172 |
0.967 |
208 |
1021 |
C2H6 |
Ethane |
1 |
A1g |
3090 |
2954 |
0.956 |
209 |
1022 |
|
|
2 |
A1g |
1469 |
1388 |
0.945 |
209 |
1023 |
|
|
3 |
A1g |
996 |
995 |
0.999 |
209 |
1024 |
|
|
4 |
A1u |
310 |
289 |
0.932 |
209 |
1025 |
|
|
5 |
A2u |
3093 |
2896 |
0.936 |
209 |
1026 |
|
|
6 |
A2u |
1474 |
1379 |
0.935 |
209 |
1027 |
|
|
7 |
Eg |
3144 |
2969 |
0.944 |
209 |
1028 |
|
|
8 |
Eg |
1576 |
1468 |
0.931 |
209 |
1029 |
|
|
9 |
Eg |
1262 |
1190 |
0.943 |
209 |
1030 |
|
|
10 |
Eu |
3169 |
2985 |
0.942 |
209 |
1031 |
|
|
11 |
Eu |
1577 |
1469 |
0.932 |
209 |
1032 |
|
|
12 |
Eu |
866 |
822 |
0.949 |
209 |
1033 |
C3H5 |
Allyl radical |
1 |
A1 |
3281 |
3114 |
0.949 |
210 |
1034 |
|
|
2 |
A1 |
3181 |
3048 |
0.958 |
210 |
1035 |
|
|
4 |
A1 |
1568 |
1488 |
0.949 |
210 |
1036 |
|
|
5 |
A1 |
1312 |
1245 |
0.949 |
210 |
1037 |
|
|
6 |
A1 |
1071 |
1066 |
0.995 |
210 |
1038 |
|
|
7 |
A1 |
453 |
427 |
0.942 |
210 |
1039 |
|
|
9 |
A2 |
573 |
549 |
0.958 |
210 |
1040 |
|
|
10 |
B1 |
1051 |
968 |
0.921 |
210 |
1041 |
|
|
11 |
B1 |
857 |
802 |
0.936 |
210 |
1042 |
|
|
12 |
B1 |
557 |
518 |
0.930 |
210 |
1043 |
|
|
13 |
B2 |
3277 |
3105 |
0.947 |
210 |
1044 |
|
|
14 |
B2 |
3174 |
3016 |
0.950 |
210 |
1045 |
|
|
15 |
B2 |
1533 |
1463 |
0.955 |
210 |
1046 |
|
|
16 |
B2 |
1459 |
1389 |
0.952 |
210 |
1047 |
|
|
17 |
B2 |
1175 |
1182 |
1.006 |
210 |
1048 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3028 |
2898 |
0.957 |
211 |
1049 |
|
|
2 |
A1 |
2349 |
2166 |
0.922 |
211 |
1050 |
|
|
3 |
A1 |
1364 |
1260 |
0.924 |
211 |
1051 |
|
|
4 |
A1 |
970 |
940 |
0.970 |
211 |
1052 |
|
|
5 |
A1 |
733 |
700 |
0.955 |
211 |
1053 |
|
|
6 |
A2 |
212 |
187 |
0.881 |
211 |
1054 |
|
|
7 |
E |
3106 |
2982 |
0.960 |
211 |
1055 |
|
|
8 |
E |
2350 |
2169 |
0.923 |
211 |
1056 |
|
|
9 |
E |
1527 |
1403 |
0.919 |
211 |
1057 |
|
|
10 |
E |
1007 |
980 |
0.974 |
211 |
1058 |
|
|
11 |
E |
924 |
868 |
0.940 |
211 |
1059 |
|
|
12 |
E |
527 |
540 |
1.024 |
211 |
1060 |
Si2H6 |
disilane |
1 |
A1g |
2347 |
2152 |
0.917 |
212 |
1061 |
|
|
2 |
A1g |
948 |
909 |
0.959 |
212 |
1062 |
|
|
3 |
A1g |
460 |
434 |
0.944 |
212 |
1063 |
|
|
4 |
A1u |
231 |
131 |
0.568 |
212 |
1064 |
|
|
5 |
A2u |
2337 |
2154 |
0.922 |
212 |
1065 |
|
|
6 |
A2u |
869 |
844 |
0.971 |
212 |
1066 |
|
|
7 |
Eg |
2347 |
2155 |
0.918 |
212 |
1067 |
|
|
8 |
Eg |
986 |
929 |
0.943 |
212 |
1068 |
|
|
9 |
Eg |
662 |
625 |
0.944 |
212 |
1069 |
|
|
10 |
Eu |
2355 |
2179 |
0.925 |
212 |
1070 |
|
|
11 |
Eu |
998 |
940 |
0.941 |
212 |
1071 |
|
|
12 |
Eu |
385 |
379 |
0.985 |
212 |
1072 |
C2H5N |
Aziridine |
1 |
A' |
3350 |
3338 |
0.996 |
213 |
1073 |
|
|
2 |
A' |
3251 |
3079 |
0.947 |
213 |
1074 |
|
|
3 |
A' |
3147 |
3015 |
0.958 |
213 |
1075 |
|
|
4 |
A' |
1558 |
1482 |
0.951 |
213 |
1076 |
|
|
5 |
A' |
1304 |
1237 |
0.949 |
213 |
1077 |
|
|
6 |
A' |
1198 |
1211 |
1.011 |
213 |
1078 |
|
|
7 |
A' |
1123 |
1090 |
0.971 |
213 |
1079 |
|
|
8 |
A' |
1007 |
998 |
0.991 |
213 |
1080 |
|
|
9 |
A' |
851 |
856 |
1.006 |
213 |
1081 |
|
|
10 |
A' |
737 |
773 |
1.048 |
213 |
1082 |
|
|
11 |
A" |
3238 |
3079 |
0.951 |
213 |
1083 |
|
|
12 |
A" |
3141 |
3015 |
0.960 |
213 |
1084 |
|
|
13 |
A" |
1537 |
1463 |
0.952 |
213 |
1085 |
|
|
14 |
A" |
1287 |
1268 |
0.986 |
213 |
1086 |
|
|
15 |
A" |
1185 |
1131 |
0.954 |
213 |
1087 |
|
|
16 |
A" |
1127 |
1095 |
0.972 |
213 |
1088 |
|
|
17 |
A" |
915 |
904 |
0.987 |
213 |
1089 |
|
|
18 |
A" |
852 |
817 |
0.959 |
213 |
1090 |
CH3COOH |
Acetic acid |
1 |
A' |
3530 |
3583 |
1.015 |
214 |
1091 |
|
|
2 |
A' |
3194 |
3051 |
0.955 |
214 |
1092 |
|
|
3 |
A' |
3087 |
2944 |
0.954 |
214 |
1093 |
|
|
4 |
A' |
1849 |
1788 |
0.967 |
214 |
1094 |
|
|
5 |
A' |
1528 |
1430 |
0.936 |
214 |
1095 |
|
|
6 |
A' |
1454 |
1382 |
0.950 |
214 |
1096 |
|
|
7 |
A' |
1395 |
1264 |
0.906 |
214 |
1097 |
|
|
8 |
A' |
1191 |
1182 |
0.993 |
214 |
1098 |
|
|
9 |
A' |
1014 |
989 |
0.975 |
214 |
1099 |
|
|
10 |
A' |
865 |
847 |
0.980 |
214 |
1100 |
|
|
11 |
A' |
580 |
657 |
1.133 |
214 |
1101 |
|
|
12 |
A' |
406 |
|
|
214 |
1102 |
|
|
13 |
A" |
3150 |
2996 |
0.951 |
214 |
1103 |
|
|
14 |
A" |
1538 |
1430 |
0.930 |
214 |
1104 |
|
|
15 |
A" |
1113 |
1048 |
0.941 |
214 |
1105 |
|
|
16 |
A" |
665 |
642 |
0.966 |
214 |
1106 |
|
|
17 |
A" |
550 |
534 |
0.970 |
214 |
1107 |
|
|
18 |
A" |
42i |
93 |
-2.211 |
214 |
1108 |
CH3OCHO |
methyl formate |
1 |
A' |
3248 |
3045 |
0.937 |
215 |
1109 |
|
|
2 |
A' |
3097 |
2969 |
0.959 |
215 |
1110 |
|
|
3 |
A' |
3075 |
2943 |
0.957 |
215 |
1111 |
|
|
4 |
A' |
1791 |
1754 |
0.979 |
215 |
1112 |
|
|
5 |
A' |
1567 |
1454 |
0.928 |
215 |
1113 |
|
|
6 |
A' |
1508 |
1445 |
0.958 |
215 |
1114 |
|
|
7 |
A' |
1414 |
1371 |
0.970 |
215 |
1115 |
|
|
8 |
A' |
1230 |
1207 |
0.981 |
215 |
1116 |
|
|
9 |
A' |
1198 |
1166 |
0.974 |
215 |
1117 |
|
|
10 |
A' |
948 |
925 |
0.976 |
215 |
1118 |
|
|
11 |
A' |
781 |
767 |
0.982 |
215 |
1119 |
|
|
12 |
A' |
304 |
318 |
1.046 |
215 |
1120 |
|
|
13 |
A" |
3136 |
3012 |
0.960 |
215 |
1121 |
|
|
14 |
A" |
1563 |
1443 |
0.923 |
215 |
1122 |
|
|
15 |
A" |
1182 |
1168 |
0.988 |
215 |
1123 |
|
|
16 |
A" |
1056 |
1032 |
0.977 |
215 |
1124 |
|
|
17 |
A" |
333 |
332 |
0.998 |
215 |
1125 |
|
|
18 |
A" |
152 |
130 |
0.854 |
215 |
1126 |
C3H3NO |
Oxazole |
1 |
A' |
3356 |
3170 |
0.945 |
216 |
1127 |
|
|
2 |
A' |
3347 |
3144 |
0.939 |
216 |
1128 |
|
|
3 |
A' |
3292 |
3141 |
0.954 |
216 |
1129 |
|
|
4 |
A' |
1564 |
1537 |
0.983 |
216 |
1130 |
|
|
5 |
A' |
1519 |
1504 |
0.990 |
216 |
1131 |
|
|
6 |
A' |
1355 |
1324 |
0.977 |
216 |
1132 |
|
|
7 |
A' |
1284 |
1252 |
0.975 |
216 |
1133 |
|
|
8 |
A' |
1170 |
1139 |
0.973 |
216 |
1134 |
|
|
9 |
A' |
1078 |
1086 |
1.007 |
216 |
1135 |
|
|
10 |
A' |
1064 |
1078 |
1.013 |
216 |
1136 |
|
|
11 |
A' |
1048 |
1046 |
0.998 |
216 |
1137 |
|
|
12 |
A' |
924 |
899 |
0.973 |
216 |
1138 |
|
|
13 |
A' |
914 |
854 |
0.934 |
216 |
1139 |
|
|
14 |
A" |
955 |
907 |
0.950 |
216 |
1140 |
|
|
15 |
A" |
920 |
830 |
0.902 |
216 |
1141 |
|
|
16 |
A" |
822 |
750 |
0.912 |
216 |
1142 |
|
|
17 |
A" |
674 |
647 |
0.959 |
216 |
1143 |
|
|
18 |
A" |
634 |
607 |
0.958 |
216 |
1144 |
CH3NO3 |
Methyl nitrate |
1 |
A' |
3220 |
3008 |
0.934 |
217 |
1145 |
|
|
2 |
A' |
3122 |
2941 |
0.942 |
217 |
1146 |
|
|
3 |
A' |
1583 |
1678 |
1.060 |
217 |
1147 |
|
|
4 |
A' |
1511 |
1468 |
0.971 |
217 |
1148 |
|
|
5 |
A' |
1494 |
1430 |
0.957 |
217 |
1149 |
|
|
6 |
A' |
1192 |
1287 |
1.079 |
217 |
1150 |
|
|
7 |
A' |
1180 |
1176 |
0.997 |
217 |
1151 |
|
|
8 |
A' |
1034 |
1017 |
0.983 |
217 |
1152 |
|
|
9 |
A' |
868 |
854 |
0.984 |
217 |
1153 |
|
|
10 |
A' |
653 |
657 |
1.006 |
217 |
1154 |
|
|
11 |
A' |
555 |
578 |
1.042 |
217 |
1155 |
|
|
12 |
A' |
359 |
340 |
0.948 |
217 |
1156 |
|
|
13 |
A" |
3247 |
3008 |
0.926 |
217 |
1157 |
|
|
14 |
A" |
1551 |
1455 |
0.938 |
217 |
1158 |
|
|
15 |
A" |
1189 |
1136 |
0.955 |
217 |
1159 |
|
|
16 |
A" |
701 |
758 |
1.081 |
217 |
1160 |
|
|
17 |
A" |
278 |
|
|
217 |
1161 |
|
|
18 |
A" |
159 |
|
|
217 |
1162 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
1 |
A' |
3190 |
3015 |
0.945 |
218 |
1163 |
|
|
2 |
A' |
3139 |
2975 |
0.948 |
218 |
1164 |
|
|
3 |
A' |
3112 |
2964 |
0.952 |
218 |
1165 |
|
|
4 |
A' |
1550 |
1457 |
0.940 |
218 |
1166 |
|
|
5 |
A' |
1481 |
1413 |
0.954 |
218 |
1167 |
|
|
6 |
A' |
1457 |
1357 |
0.932 |
218 |
1168 |
|
|
7 |
A' |
1197 |
1171 |
0.978 |
218 |
1169 |
|
|
8 |
A' |
1166 |
1140 |
0.978 |
218 |
1170 |
|
|
9 |
A' |
899 |
868 |
0.966 |
218 |
1171 |
|
|
10 |
A' |
550 |
569 |
1.035 |
218 |
1172 |
|
|
11 |
A' |
444 |
468 |
1.055 |
218 |
1173 |
|
|
12 |
A" |
3200 |
|
|
218 |
1174 |
|
|
13 |
A" |
1559 |
|
|
218 |
1175 |
|
|
14 |
A" |
1460 |
1362 |
0.933 |
218 |
1176 |
|
|
15 |
A" |
1241 |
1135 |
0.915 |
218 |
1177 |
|
|
16 |
A" |
1022 |
942 |
0.922 |
218 |
1178 |
|
|
17 |
A" |
354 |
|
|
218 |
1179 |
|
|
18 |
A" |
249 |
|
|
218 |
1180 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3099 |
2974 |
0.960 |
219 |
1181 |
|
|
2 |
A1 |
1493 |
1412 |
0.946 |
219 |
1182 |
|
|
3 |
A1 |
1337 |
1278 |
0.956 |
219 |
1183 |
|
|
4 |
A1 |
843 |
828 |
0.983 |
219 |
1184 |
|
|
5 |
A1 |
577 |
606 |
1.051 |
219 |
1185 |
|
|
6 |
A2 |
224 |
225 |
1.006 |
219 |
1186 |
|
|
7 |
E |
3179 |
3042 |
0.957 |
219 |
1187 |
|
|
8 |
E |
1548 |
1450 |
0.937 |
219 |
1188 |
|
|
9 |
E |
1361 |
1230 |
0.904 |
219 |
1189 |
|
|
10 |
E |
1040 |
964 |
0.927 |
219 |
1190 |
|
|
11 |
E |
525 |
540 |
1.028 |
219 |
1191 |
|
|
12 |
E |
343 |
365 |
1.065 |
219 |
1192 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1433 |
1420 |
0.991 |
220 |
1193 |
|
|
2 |
A1g |
800 |
809 |
1.011 |
220 |
1194 |
|
|
3 |
A1g |
347 |
349 |
1.006 |
220 |
1195 |
|
|
4 |
A1u |
77 |
68 |
0.880 |
220 |
1196 |
|
|
5 |
A2u |
1170 |
1117 |
0.955 |
220 |
1197 |
|
|
6 |
A2u |
679 |
714 |
1.052 |
220 |
1198 |
|
|
7 |
Eg |
1342 |
1237 |
0.921 |
220 |
1199 |
|
|
8 |
Eg |
614 |
620 |
1.010 |
220 |
1200 |
|
|
9 |
Eg |
368 |
380 |
1.034 |
220 |
1201 |
|
|
10 |
Eu |
1376 |
1251 |
0.909 |
220 |
1202 |
|
|
11 |
Eu |
507 |
523 |
1.031 |
220 |
1203 |
|
|
12 |
Eu |
206 |
216 |
1.050 |
220 |
1204 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3139 |
2967 |
0.945 |
221 |
1205 |
|
|
2 |
A' |
3102 |
2946 |
0.950 |
221 |
1206 |
|
|
3 |
A' |
3050 |
2881 |
0.945 |
221 |
1207 |
|
|
4 |
A' |
1571 |
1463 |
0.931 |
221 |
1208 |
|
|
5 |
A' |
1550 |
1448 |
0.934 |
221 |
1209 |
|
|
6 |
A' |
1470 |
1385 |
0.942 |
221 |
1210 |
|
|
7 |
A' |
1354 |
1289 |
0.952 |
221 |
1211 |
|
|
8 |
A' |
1109 |
1081 |
0.975 |
221 |
1212 |
|
|
9 |
A' |
996 |
974 |
0.978 |
221 |
1213 |
|
|
10 |
A' |
667 |
677 |
1.015 |
221 |
1214 |
|
|
11 |
A' |
344 |
336 |
0.976 |
221 |
1215 |
|
|
12 |
A" |
3180 |
3014 |
0.948 |
221 |
1216 |
|
|
13 |
A" |
3154 |
2986 |
0.947 |
221 |
1217 |
|
|
14 |
A" |
1545 |
1448 |
0.937 |
221 |
1218 |
|
|
15 |
A" |
1319 |
1251 |
0.948 |
221 |
1219 |
|
|
16 |
A" |
1108 |
974 |
0.879 |
221 |
1220 |
|
|
17 |
A" |
823 |
786 |
0.955 |
221 |
1221 |
|
|
18 |
A" |
244 |
251 |
1.030 |
221 |
1222 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3198 |
2957 |
0.925 |
222 |
1223 |
|
|
1 |
A |
3176 |
3005 |
0.946 |
222 |
1224 |
|
|
2 |
A |
3117 |
2957 |
0.949 |
222 |
1225 |
|
|
2 |
Ag |
1557 |
1445 |
0.928 |
222 |
1226 |
|
|
3 |
Ag |
1398 |
1304 |
0.933 |
222 |
1227 |
|
|
3 |
A |
1529 |
1433 |
0.937 |
222 |
1228 |
|
|
4 |
A |
1384 |
1315 |
0.950 |
222 |
1229 |
|
|
4 |
Ag |
1049 |
1052 |
1.003 |
222 |
1230 |
|
|
5 |
Ag |
775 |
754 |
0.973 |
222 |
1231 |
|
|
5 |
A |
1262 |
1207 |
0.956 |
222 |
1232 |
|
|
6 |
A |
1048 |
1027 |
0.980 |
222 |
1233 |
|
|
6 |
Ag |
311 |
300 |
0.965 |
222 |
1234 |
|
|
7 |
Au |
3277 |
3005 |
0.917 |
222 |
1235 |
|
|
7 |
A |
975 |
948 |
0.972 |
222 |
1236 |
|
|
8 |
A |
672 |
669 |
0.996 |
222 |
1237 |
|
|
8 |
Au |
1215 |
1123 |
0.925 |
222 |
1238 |
|
|
9 |
Au |
831 |
773 |
0.930 |
222 |
1239 |
|
|
9 |
A |
271 |
272 |
1.003 |
222 |
1240 |
|
|
10 |
A |
108 |
125 |
1.162 |
222 |
1241 |
|
|
10 |
Au |
106 |
123 |
1.157 |
222 |
1242 |
|
|
11 |
Bg |
3255 |
3005 |
0.923 |
222 |
1243 |
|
|
11 |
B |
3191 |
3005 |
0.942 |
222 |
1244 |
|
|
12 |
B |
3110 |
2957 |
0.951 |
222 |
1245 |
|
|
12 |
Bg |
1362 |
1264 |
0.928 |
222 |
1246 |
|
|
13 |
Bg |
1046 |
989 |
0.945 |
222 |
1247 |
|
|
13 |
B |
1534 |
1436 |
0.936 |
222 |
1248 |
|
|
14 |
B |
1366 |
1292 |
0.946 |
222 |
1249 |
|
|
14 |
Bu |
3208 |
2983 |
0.930 |
222 |
1250 |
|
|
15 |
Bu |
1560 |
1461 |
0.936 |
222 |
1251 |
|
|
15 |
B |
1217 |
1146 |
0.942 |
222 |
1252 |
|
|
16 |
B |
924 |
890 |
0.963 |
222 |
1253 |
|
|
16 |
Bu |
1334 |
1232 |
0.924 |
222 |
1254 |
|
|
17 |
Bu |
737 |
728 |
0.988 |
222 |
1255 |
|
|
17 |
B |
694 |
693 |
0.998 |
222 |
1256 |
|
|
18 |
B |
426 |
410 |
0.964 |
222 |
1257 |
|
|
18 |
Bu |
218 |
222 |
1.020 |
222 |
1258 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3064 |
2951 |
0.963 |
223 |
1259 |
|
|
2 |
A1 |
1475 |
1386 |
0.940 |
223 |
1260 |
|
|
3 |
A1 |
1073 |
1075 |
1.002 |
223 |
1261 |
|
|
4 |
A1 |
537 |
526 |
0.979 |
223 |
1262 |
|
|
5 |
A1 |
352 |
344 |
0.977 |
223 |
1263 |
|
|
6 |
A2 |
287 |
214 |
0.745 |
223 |
1264 |
|
|
7 |
E |
3150 |
3014 |
0.957 |
223 |
1265 |
|
|
8 |
E |
1537 |
1457 |
0.948 |
223 |
1266 |
|
|
9 |
E |
1154 |
1088 |
0.943 |
223 |
1267 |
|
|
10 |
E |
742 |
724 |
0.976 |
223 |
1268 |
|
|
11 |
E |
354 |
351 |
0.992 |
223 |
1269 |
|
|
12 |
E |
247 |
239 |
0.967 |
223 |
1270 |
C3H6 |
Cyclopropane |
1 |
A1' |
3208 |
3038 |
0.947 |
224 |
1271 |
|
|
2 |
A1' |
1553 |
1479 |
0.952 |
224 |
1272 |
|
|
3 |
A1' |
1189 |
1188 |
0.999 |
224 |
1273 |
|
|
4 |
A1" |
1173 |
1126 |
0.960 |
224 |
1274 |
|
|
5 |
A2' |
1154 |
1070 |
0.928 |
224 |
1275 |
|
|
6 |
A2" |
3301 |
3103 |
0.940 |
224 |
1276 |
|
|
7 |
A2" |
873 |
854 |
0.978 |
224 |
1277 |
|
|
8 |
E' |
3201 |
3025 |
0.945 |
224 |
1278 |
|
|
9 |
E' |
1521 |
1438 |
0.945 |
224 |
1279 |
|
|
10 |
E' |
1103 |
1029 |
0.933 |
224 |
1280 |
|
|
11 |
E' |
891 |
866 |
0.972 |
224 |
1281 |
|
|
12 |
E" |
3280 |
3082 |
0.940 |
224 |
1282 |
|
|
13 |
E" |
1236 |
1188 |
0.961 |
224 |
1283 |
|
|
14 |
E" |
774 |
739 |
0.955 |
224 |
1284 |
CH2CHCH3 |
Propene |
1 |
A' |
3277 |
3090 |
0.943 |
225 |
1285 |
|
|
2 |
A' |
3197 |
3013 |
0.943 |
225 |
1286 |
|
|
3 |
A' |
3189 |
2991 |
0.938 |
225 |
1287 |
|
|
4 |
A' |
3146 |
2954 |
0.939 |
225 |
1288 |
|
|
5 |
A' |
3071 |
2871 |
0.935 |
225 |
1289 |
|
|
6 |
A' |
1750 |
1650 |
0.943 |
225 |
1290 |
|
|
7 |
A' |
1563 |
1470 |
0.940 |
225 |
1291 |
|
|
8 |
A' |
1505 |
1420 |
0.943 |
225 |
1292 |
|
|
9 |
A' |
1469 |
1378 |
0.938 |
225 |
1293 |
|
|
10 |
A' |
1373 |
1297 |
0.944 |
225 |
1294 |
|
|
11 |
A' |
1228 |
1171 |
0.954 |
225 |
1295 |
|
|
12 |
A' |
996 |
963 |
0.967 |
225 |
1296 |
|
|
13 |
A' |
930 |
920 |
0.990 |
225 |
1297 |
|
|
14 |
A' |
445 |
428 |
0.961 |
225 |
1298 |
|
|
15 |
A" |
3124 |
2954 |
0.946 |
225 |
1299 |
|
|
16 |
A" |
1551 |
1443 |
0.930 |
225 |
1300 |
|
|
17 |
A" |
1119 |
1045 |
0.934 |
225 |
1301 |
|
|
18 |
A" |
1058 |
991 |
0.937 |
225 |
1302 |
|
|
19 |
A" |
1001 |
912 |
0.911 |
225 |
1303 |
|
|
20 |
A" |
603 |
578 |
0.958 |
225 |
1304 |
|
|
21 |
A" |
197 |
174 |
0.882 |
225 |
1305 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3644 |
3517 |
0.965 |
226 |
1306 |
|
|
2 |
A' |
3359 |
3143 |
0.936 |
226 |
1307 |
|
|
3 |
A' |
3327 |
3123 |
0.939 |
226 |
1308 |
|
|
4 |
A' |
3323 |
3110 |
0.936 |
226 |
1309 |
|
|
5 |
A' |
1563 |
1448 |
0.926 |
226 |
1310 |
|
|
6 |
A' |
1495 |
1404 |
0.939 |
226 |
1311 |
|
|
7 |
A' |
1421 |
1328 |
0.935 |
226 |
1312 |
|
|
8 |
A' |
1353 |
1265 |
0.935 |
226 |
1313 |
|
|
9 |
A' |
1303 |
1188 |
0.912 |
226 |
1314 |
|
|
10 |
A' |
1177 |
1098 |
0.933 |
226 |
1315 |
|
|
11 |
A' |
1128 |
1062 |
0.942 |
226 |
1316 |
|
|
12 |
A' |
1113 |
1013 |
0.910 |
226 |
1317 |
|
|
13 |
A' |
1072 |
988 |
0.921 |
226 |
1318 |
|
|
14 |
A' |
974 |
923 |
0.948 |
226 |
1319 |
|
|
15 |
A' |
928 |
898 |
0.967 |
226 |
1320 |
|
|
16 |
A" |
966 |
831 |
0.860 |
226 |
1321 |
|
|
17 |
A" |
901 |
758 |
0.842 |
226 |
1322 |
|
|
18 |
A" |
816 |
674 |
0.826 |
226 |
1323 |
|
|
19 |
A" |
694 |
663 |
0.955 |
226 |
1324 |
|
|
20 |
A" |
675 |
621 |
0.920 |
226 |
1325 |
|
|
21 |
A" |
660 |
539 |
0.816 |
226 |
1326 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3239 |
3042 |
0.939 |
227 |
1327 |
|
|
2 |
A1' |
1190 |
1132 |
0.951 |
227 |
1328 |
|
|
3 |
A1' |
987 |
992 |
1.006 |
227 |
1329 |
|
|
4 |
A2' |
1413 |
1278 |
0.904 |
227 |
1330 |
|
|
5 |
A2' |
1023 |
1068 |
1.044 |
227 |
1331 |
|
|
6 |
A2" |
986 |
925 |
0.938 |
227 |
1332 |
|
|
7 |
A2" |
788 |
737 |
0.935 |
227 |
1333 |
|
|
8 |
E' |
3229 |
3056 |
0.946 |
227 |
1334 |
|
|
9 |
E' |
1543 |
1555 |
1.008 |
227 |
1335 |
|
|
10 |
E' |
1442 |
1410 |
0.978 |
227 |
1336 |
|
|
11 |
E' |
1171 |
1176 |
1.004 |
227 |
1337 |
|
|
12 |
E' |
701 |
657 |
0.937 |
227 |
1338 |
|
|
13 |
E" |
1070 |
830 |
0.775 |
227 |
1339 |
|
|
14 |
E" |
386 |
340 |
0.881 |
227 |
1340 |
CH3CH2OH |
Ethanol |
1 |
A' |
3572 |
3653 |
1.023 |
228 |
1341 |
|
|
2 |
A' |
3180 |
2984 |
0.938 |
228 |
1342 |
|
|
3 |
A' |
3104 |
2939 |
0.947 |
228 |
1343 |
|
|
4 |
A' |
3033 |
2900 |
0.956 |
228 |
1344 |
|
|
5 |
A' |
1602 |
1490 |
0.930 |
228 |
1345 |
|
|
6 |
A' |
1573 |
1464 |
0.930 |
228 |
1346 |
|
|
7 |
A' |
1483 |
1412 |
0.952 |
228 |
1347 |
|
|
8 |
A' |
1463 |
1371 |
0.937 |
228 |
1348 |
|
|
9 |
A' |
1292 |
1256 |
0.973 |
228 |
1349 |
|
|
10 |
A' |
1136 |
1091 |
0.960 |
228 |
1350 |
|
|
11 |
A' |
1031 |
1028 |
0.997 |
228 |
1351 |
|
|
12 |
A' |
920 |
888 |
0.965 |
228 |
1352 |
|
|
13 |
A' |
401 |
417 |
1.038 |
228 |
1353 |
|
|
14 |
A" |
3180 |
2991 |
0.941 |
228 |
1354 |
|
|
15 |
A" |
3062 |
2910 |
0.950 |
228 |
1355 |
|
|
16 |
A" |
1551 |
1446 |
0.932 |
228 |
1356 |
|
|
17 |
A" |
1337 |
1275 |
0.954 |
228 |
1357 |
|
|
18 |
A" |
1196 |
1161 |
0.971 |
228 |
1358 |
|
|
19 |
A" |
865 |
812 |
0.939 |
228 |
1359 |
|
|
20 |
A" |
333 |
251 |
0.753 |
228 |
1360 |
|
|
21 |
A" |
243 |
200 |
0.823 |
228 |
1361 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3159 |
2996 |
0.949 |
229 |
1362 |
|
|
2 |
A1 |
3027 |
2817 |
0.931 |
229 |
1363 |
|
|
3 |
A1 |
1595 |
1464 |
0.918 |
229 |
1364 |
|
|
4 |
A1 |
1540 |
1452 |
0.943 |
229 |
1365 |
|
|
5 |
A1 |
1263 |
1244 |
0.985 |
229 |
1366 |
|
|
6 |
A1 |
927 |
928 |
1.002 |
229 |
1367 |
|
|
7 |
A1 |
417 |
418 |
1.002 |
229 |
1368 |
|
|
8 |
A2 |
3068 |
2952 |
0.962 |
229 |
1369 |
|
|
9 |
A2 |
1556 |
1464 |
0.941 |
229 |
1370 |
|
|
10 |
A2 |
1168 |
1150 |
0.985 |
229 |
1371 |
|
|
11 |
A2 |
237 |
203 |
0.855 |
229 |
1372 |
|
|
12 |
B1 |
3066 |
2925 |
0.954 |
229 |
1373 |
|
|
13 |
B1 |
1564 |
1464 |
0.936 |
229 |
1374 |
|
|
14 |
B1 |
1197 |
1179 |
0.985 |
229 |
1375 |
|
|
15 |
B1 |
252 |
242 |
0.962 |
229 |
1376 |
|
|
16 |
B2 |
3156 |
2996 |
0.949 |
229 |
1377 |
|
|
17 |
B2 |
3020 |
2817 |
0.933 |
229 |
1378 |
|
|
18 |
B2 |
1577 |
1464 |
0.928 |
229 |
1379 |
|
|
19 |
B2 |
1498 |
1452 |
0.969 |
229 |
1380 |
|
|
20 |
B2 |
1192 |
1227 |
1.030 |
229 |
1381 |
|
|
21 |
B2 |
1119 |
1102 |
0.985 |
229 |
1382 |
C4H4O |
Furan |
1 |
A1 |
3373 |
3161 |
0.937 |
230 |
1383 |
|
|
2 |
A1 |
3334 |
3140 |
0.942 |
230 |
1384 |
|
|
3 |
A1 |
1521 |
1491 |
0.980 |
230 |
1385 |
|
|
4 |
A1 |
1418 |
1384 |
0.976 |
230 |
1386 |
|
|
5 |
A1 |
1178 |
1140 |
0.967 |
230 |
1387 |
|
|
6 |
A1 |
1083 |
1066 |
0.984 |
230 |
1388 |
|
|
7 |
A1 |
1022 |
995 |
0.973 |
230 |
1389 |
|
|
8 |
A1 |
897 |
871 |
0.972 |
230 |
1390 |
|
|
9 |
A2 |
961 |
838 |
0.872 |
230 |
1391 |
|
|
10 |
A2 |
810 |
728 |
0.899 |
230 |
1392 |
|
|
11 |
A2 |
632 |
603 |
0.954 |
230 |
1393 |
|
|
12 |
B1 |
940 |
863 |
0.918 |
230 |
1394 |
|
|
13 |
B1 |
801 |
745 |
0.930 |
230 |
1395 |
|
|
14 |
B1 |
627 |
613 |
0.978 |
230 |
1396 |
|
|
15 |
B2 |
3364 |
3154 |
0.938 |
230 |
1397 |
|
|
16 |
B2 |
3324 |
3129 |
0.941 |
230 |
1398 |
|
|
17 |
B2 |
1616 |
1556 |
0.963 |
230 |
1399 |
|
|
18 |
B2 |
1311 |
1267 |
0.967 |
230 |
1400 |
|
|
19 |
B2 |
1210 |
1180 |
0.975 |
230 |
1401 |
|
|
20 |
B2 |
1075 |
1040 |
0.968 |
230 |
1402 |
|
|
21 |
B2 |
918 |
873 |
0.950 |
230 |
1403 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3128 |
2966 |
0.948 |
231 |
1404 |
|
|
1 |
A |
3148 |
2980 |
0.947 |
231 |
1405 |
|
|
2 |
A |
3132 |
2967 |
0.947 |
231 |
1406 |
|
|
2 |
A' |
3096 |
2872 |
0.928 |
231 |
1407 |
|
|
3 |
A' |
3053 |
2872 |
0.941 |
231 |
1408 |
|
|
3 |
A |
3119 |
2930 |
0.939 |
231 |
1409 |
|
|
4 |
A |
3081 |
2902 |
0.942 |
231 |
1410 |
|
|
4 |
A' |
2637 |
2580 |
0.979 |
231 |
1411 |
|
|
5 |
A' |
1574 |
1453 |
0.923 |
231 |
1412 |
|
|
5 |
A |
3059 |
2875 |
0.940 |
231 |
1413 |
|
|
6 |
A |
2791 |
2591 |
0.928 |
231 |
1414 |
|
|
6 |
A' |
1556 |
1453 |
0.934 |
231 |
1415 |
|
|
7 |
A' |
1469 |
1385 |
0.943 |
231 |
1416 |
|
|
7 |
A |
1567 |
1462 |
0.933 |
231 |
1417 |
|
|
8 |
A |
1558 |
1452 |
0.932 |
231 |
1418 |
|
|
8 |
A' |
1345 |
1309 |
0.973 |
231 |
1419 |
|
|
9 |
A' |
1146 |
1097 |
0.957 |
231 |
1420 |
|
|
9 |
A |
1540 |
1437 |
0.933 |
231 |
1421 |
|
|
10 |
A |
1468 |
1377 |
0.938 |
231 |
1422 |
|
|
10 |
A' |
1013 |
978 |
0.965 |
231 |
1423 |
|
|
11 |
A' |
924 |
870 |
0.941 |
231 |
1424 |
|
|
11 |
A |
1352 |
1269 |
0.938 |
231 |
1425 |
|
|
12 |
A |
1326 |
1246 |
0.940 |
231 |
1426 |
|
|
12 |
A' |
701 |
660 |
0.942 |
231 |
1427 |
|
|
13 |
A' |
325 |
332 |
1.020 |
231 |
1428 |
|
|
13 |
A |
1171 |
1093 |
0.934 |
231 |
1429 |
|
|
14 |
A |
1097 |
1051 |
0.958 |
231 |
1430 |
|
|
14 |
A" |
3163 |
2966 |
0.938 |
231 |
1431 |
|
|
15 |
A" |
3139 |
2930 |
0.933 |
231 |
1432 |
|
|
15 |
A |
998 |
970 |
0.972 |
231 |
1433 |
|
|
16 |
A |
949 |
867 |
0.914 |
231 |
1434 |
|
|
16 |
A" |
1555 |
1453 |
0.934 |
231 |
1435 |
|
|
17 |
A" |
1317 |
1269 |
0.964 |
231 |
1436 |
|
|
17 |
A |
773 |
735 |
0.950 |
231 |
1437 |
|
|
18 |
A |
677 |
658 |
0.971 |
231 |
1438 |
|
|
18 |
A" |
1085 |
1049 |
0.967 |
231 |
1439 |
|
|
19 |
A" |
834 |
745 |
0.894 |
231 |
1440 |
|
|
19 |
A |
400 |
319 |
0.798 |
231 |
1441 |
|
|
20 |
A |
340 |
|
|
231 |
1442 |
|
|
21 |
A |
256 |
|
|
231 |
1443 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3174 |
2997 |
0.944 |
232 |
1444 |
|
|
2 |
A1 |
3078 |
2925 |
0.950 |
232 |
1445 |
|
|
3 |
A1 |
1558 |
1447 |
0.929 |
232 |
1446 |
|
|
4 |
A1 |
1442 |
1337 |
0.927 |
232 |
1447 |
|
|
5 |
A1 |
1097 |
1030 |
0.939 |
232 |
1448 |
|
|
6 |
A1 |
710 |
695 |
0.978 |
232 |
1449 |
|
|
7 |
A1 |
274 |
280 |
1.023 |
232 |
1450 |
|
|
8 |
A2 |
3156 |
2970 |
0.941 |
232 |
1451 |
|
|
9 |
A2 |
1537 |
1427 |
0.929 |
232 |
1452 |
|
|
10 |
A2 |
999 |
946 |
0.947 |
232 |
1453 |
|
|
11 |
A2 |
185 |
175 |
0.944 |
232 |
1454 |
|
|
12 |
B1 |
3150 |
2970 |
0.943 |
232 |
1455 |
|
|
13 |
B1 |
1547 |
1439 |
0.930 |
232 |
1456 |
|
|
14 |
B1 |
1034 |
973 |
0.941 |
232 |
1457 |
|
|
15 |
B1 |
190 |
183 |
0.963 |
232 |
1458 |
|
|
16 |
B2 |
3175 |
2999 |
0.945 |
232 |
1459 |
|
|
17 |
B2 |
3081 |
2919 |
0.947 |
232 |
1460 |
|
|
18 |
B2 |
1548 |
1442 |
0.932 |
232 |
1461 |
|
|
19 |
B2 |
1417 |
1315 |
0.928 |
232 |
1462 |
|
|
20 |
B2 |
960 |
903 |
0.941 |
232 |
1463 |
|
|
21 |
B2 |
760 |
742 |
0.977 |
232 |
1464 |
C4H4S |
Thiophene |
1 |
A1 |
3307 |
3126 |
0.945 |
233 |
1465 |
|
|
2 |
A1 |
3271 |
3098 |
0.947 |
233 |
1466 |
|
|
3 |
A1 |
1458 |
1409 |
0.966 |
233 |
1467 |
|
|
4 |
A1 |
1423 |
1360 |
0.956 |
233 |
1468 |
|
|
5 |
A1 |
1148 |
1083 |
0.943 |
233 |
1469 |
|
|
6 |
A1 |
1057 |
1036 |
0.981 |
233 |
1470 |
|
|
7 |
A1 |
852 |
872 |
1.024 |
233 |
1471 |
|
|
8 |
A1 |
643 |
608 |
0.945 |
233 |
1472 |
|
|
9 |
A2 |
1014 |
867 |
0.855 |
233 |
1473 |
|
|
10 |
A2 |
769 |
688 |
0.895 |
233 |
1474 |
|
|
11 |
A2 |
606 |
567 |
0.936 |
233 |
1475 |
|
|
12 |
B1 |
978 |
839 |
0.858 |
233 |
1476 |
|
|
13 |
B1 |
786 |
712 |
0.905 |
233 |
1477 |
|
|
14 |
B1 |
474 |
452 |
0.954 |
233 |
1478 |
|
|
15 |
B2 |
3292 |
3125 |
0.949 |
233 |
1479 |
|
|
16 |
B2 |
3269 |
3086 |
0.944 |
233 |
1480 |
|
|
17 |
B2 |
1588 |
1504 |
0.947 |
233 |
1481 |
|
|
18 |
B2 |
1322 |
1256 |
0.950 |
233 |
1482 |
|
|
19 |
B2 |
1145 |
1085 |
0.948 |
233 |
1483 |
|
|
20 |
B2 |
908 |
903 |
0.995 |
233 |
1484 |
|
|
21 |
B2 |
768 |
751 |
0.977 |
233 |
1485 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3236 |
3087 |
0.954 |
234 |
1486 |
|
|
2 |
Ag |
3154 |
3003 |
0.952 |
234 |
1487 |
|
|
3 |
Ag |
3135 |
2992 |
0.954 |
234 |
1488 |
|
|
4 |
Ag |
1743 |
1630 |
0.935 |
234 |
1489 |
|
|
5 |
Ag |
1526 |
1438 |
0.942 |
234 |
1490 |
|
|
6 |
Ag |
1361 |
1280 |
0.940 |
234 |
1491 |
|
|
7 |
Ag |
1256 |
1196 |
0.952 |
234 |
1492 |
|
|
8 |
Ag |
909 |
894 |
0.983 |
234 |
1493 |
|
|
9 |
Ag |
541 |
512 |
0.947 |
234 |
1494 |
|
|
10 |
Au |
1090 |
1013 |
0.929 |
234 |
1495 |
|
|
11 |
Au |
1003 |
908 |
0.905 |
234 |
1496 |
|
|
12 |
Au |
548 |
522 |
0.952 |
234 |
1497 |
|
|
13 |
Au |
149 |
162 |
1.084 |
234 |
1498 |
|
|
14 |
Bg |
1049 |
976 |
0.930 |
234 |
1499 |
|
|
15 |
Bg |
1000 |
912 |
0.912 |
234 |
1500 |
|
|
16 |
Bg |
798 |
770 |
0.964 |
234 |
1501 |
|
|
17 |
Bu |
3236 |
3101 |
0.958 |
234 |
1502 |
|
|
18 |
Bu |
3154 |
3055 |
0.968 |
234 |
1503 |
|
|
19 |
Bu |
3147 |
2984 |
0.948 |
234 |
1504 |
|
|
20 |
Bu |
1694 |
1596 |
0.942 |
234 |
1505 |
|
|
21 |
Bu |
1474 |
1381 |
0.937 |
234 |
1506 |
|
|
22 |
Bu |
1371 |
1294 |
0.944 |
234 |
1507 |
|
|
23 |
Bu |
1053 |
990 |
0.940 |
234 |
1508 |
|
|
24 |
Bu |
310 |
301 |
0.971 |
234 |
1509 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3038 |
2916 |
0.960 |
235 |
1510 |
|
|
2 |
A1' |
2437 |
2240 |
0.919 |
235 |
1511 |
|
|
3 |
A1' |
1468 |
1380 |
0.940 |
235 |
1512 |
|
|
4 |
A1' |
717 |
725 |
1.011 |
235 |
1513 |
|
|
6 |
A2" |
3038 |
2938 |
0.967 |
235 |
1514 |
|
|
7 |
A2" |
1463 |
1382 |
0.945 |
235 |
1515 |
|
|
8 |
A2" |
1156 |
1152 |
0.997 |
235 |
1516 |
|
|
9 |
E' |
3101 |
2973 |
0.959 |
235 |
1517 |
|
|
10 |
E' |
1549 |
1456 |
0.940 |
235 |
1518 |
|
|
11 |
E' |
1105 |
1054 |
0.954 |
235 |
1519 |
|
|
12 |
E' |
202 |
213 |
1.055 |
235 |
1520 |
|
|
13 |
E" |
3101 |
2966 |
0.956 |
235 |
1521 |
|
|
14 |
E" |
1549 |
1448 |
0.935 |
235 |
1522 |
|
|
15 |
E" |
1095 |
1029 |
0.940 |
235 |
1523 |
|
|
16 |
E" |
459 |
371 |
0.808 |
235 |
1524 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3158 |
3061 |
0.969 |
236 |
1525 |
|
|
2 |
A' |
3141 |
3010 |
0.958 |
236 |
1526 |
|
|
3 |
A' |
3125 |
2965 |
0.949 |
236 |
1527 |
|
|
4 |
A' |
3070 |
2905 |
0.946 |
236 |
1528 |
|
|
5 |
A' |
2126 |
1970 |
0.927 |
236 |
1529 |
|
|
6 |
A' |
1571 |
1453 |
0.925 |
236 |
1530 |
|
|
7 |
A' |
1532 |
1437 |
0.938 |
236 |
1531 |
|
|
8 |
A' |
1461 |
1389 |
0.951 |
236 |
1532 |
|
|
9 |
A' |
1403 |
1330 |
0.948 |
236 |
1533 |
|
|
10 |
A' |
1178 |
1132 |
0.961 |
236 |
1534 |
|
|
11 |
A' |
1127 |
1074 |
0.953 |
236 |
1535 |
|
|
12 |
A' |
944 |
876 |
0.928 |
236 |
1536 |
|
|
13 |
A' |
893 |
859 |
0.962 |
236 |
1537 |
|
|
14 |
A' |
589 |
555 |
0.942 |
236 |
1538 |
|
|
15 |
A' |
210 |
210 |
1.001 |
236 |
1539 |
|
|
16 |
A" |
3196 |
3061 |
0.958 |
236 |
1540 |
|
|
17 |
A" |
3131 |
2965 |
0.947 |
236 |
1541 |
|
|
18 |
A" |
1554 |
1453 |
0.935 |
236 |
1542 |
|
|
19 |
A" |
1109 |
1110 |
1.001 |
236 |
1543 |
|
|
20 |
A" |
1080 |
1011 |
0.936 |
236 |
1544 |
|
|
21 |
A" |
928 |
842 |
0.907 |
236 |
1545 |
|
|
22 |
A" |
554 |
523 |
0.944 |
236 |
1546 |
|
|
23 |
A" |
343 |
322 |
0.938 |
236 |
1547 |
C4H6 |
Cyclobutene |
1 |
A1 |
3220 |
3060 |
0.950 |
237 |
1548 |
|
|
2 |
A1 |
3085 |
2935 |
0.951 |
237 |
1549 |
|
|
3 |
A1 |
1638 |
1570 |
0.958 |
237 |
1550 |
|
|
4 |
A1 |
1519 |
1450 |
0.955 |
237 |
1551 |
|
|
5 |
A1 |
1239 |
1276 |
1.030 |
237 |
1552 |
|
|
6 |
A1 |
1135 |
1186 |
1.045 |
237 |
1553 |
|
|
7 |
A1 |
991 |
1113 |
1.123 |
237 |
1554 |
|
|
8 |
A1 |
870 |
886 |
1.018 |
237 |
1555 |
|
|
9 |
A2 |
3131 |
2955 |
0.944 |
237 |
1556 |
|
|
10 |
A2 |
1203 |
1276 |
1.061 |
237 |
1557 |
|
|
11 |
A2 |
1045 |
1081 |
1.034 |
237 |
1558 |
|
|
12 |
A2 |
967 |
850 |
0.879 |
237 |
1559 |
|
|
13 |
A2 |
289 |
325 |
1.126 |
237 |
1560 |
|
|
14 |
B1 |
3144 |
2955 |
0.940 |
237 |
1561 |
|
|
15 |
B1 |
1138 |
1074 |
0.944 |
237 |
1562 |
|
|
16 |
B1 |
870 |
846 |
0.973 |
237 |
1563 |
|
|
17 |
B1 |
647 |
635 |
0.982 |
237 |
1564 |
|
|
18 |
B2 |
3184 |
3047 |
0.957 |
237 |
1565 |
|
|
19 |
B2 |
3079 |
2916 |
0.947 |
237 |
1566 |
|
|
20 |
B2 |
1499 |
1427 |
0.952 |
237 |
1567 |
|
|
21 |
B2 |
1319 |
1294 |
0.981 |
237 |
1568 |
|
|
22 |
B2 |
1275 |
1214 |
0.952 |
237 |
1569 |
|
|
23 |
B2 |
896 |
888 |
0.991 |
237 |
1570 |
|
|
24 |
B2 |
872 |
740 |
0.849 |
237 |
1571 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3180 |
3010 |
0.947 |
238 |
1572 |
|
|
2 |
A1 |
3147 |
3002 |
0.954 |
238 |
1573 |
|
|
3 |
A1 |
1883 |
1743 |
0.926 |
238 |
1574 |
|
|
4 |
A1 |
1534 |
1437 |
0.937 |
238 |
1575 |
|
|
5 |
A1 |
1503 |
1410 |
0.938 |
238 |
1576 |
|
|
6 |
A1 |
1083 |
1036 |
0.957 |
238 |
1577 |
|
|
7 |
A1 |
1052 |
1002 |
0.952 |
238 |
1578 |
|
|
8 |
A1 |
740 |
723 |
0.977 |
238 |
1579 |
|
|
9 |
A2 |
3223 |
3051 |
0.947 |
238 |
1580 |
|
|
10 |
A2 |
1183 |
1144 |
0.967 |
238 |
1581 |
|
|
11 |
A2 |
995 |
937 |
0.942 |
238 |
1582 |
|
|
12 |
A2 |
653 |
616 |
0.943 |
238 |
1583 |
|
|
13 |
B1 |
3237 |
3071 |
0.949 |
238 |
1584 |
|
|
14 |
B1 |
1145 |
1072 |
0.936 |
238 |
1585 |
|
|
15 |
B1 |
1008 |
889 |
0.882 |
238 |
1586 |
|
|
16 |
B1 |
774 |
748 |
0.967 |
238 |
1587 |
|
|
17 |
B1 |
336 |
360 |
1.071 |
238 |
1588 |
|
|
18 |
B2 |
3260 |
3086 |
0.947 |
238 |
1589 |
|
|
19 |
B2 |
3144 |
2999 |
0.954 |
238 |
1590 |
|
|
20 |
B2 |
1496 |
1353 |
0.905 |
238 |
1591 |
|
|
21 |
B2 |
1189 |
1174 |
0.988 |
238 |
1592 |
|
|
22 |
B2 |
1123 |
1125 |
1.002 |
238 |
1593 |
|
|
23 |
B2 |
911 |
792 |
0.869 |
238 |
1594 |
|
|
24 |
B2 |
372 |
290 |
0.779 |
238 |
1595 |
C4H6 |
Bicyclo[1.1.0]butane |
1 |
A1 |
3324 |
3131 |
0.942 |
239 |
1596 |
|
|
2 |
A1 |
3211 |
3044 |
0.948 |
239 |
1597 |
|
|
3 |
A1 |
3113 |
2935 |
0.943 |
239 |
1598 |
|
|
4 |
A1 |
1560 |
1501 |
0.962 |
239 |
1599 |
|
|
5 |
A1 |
1281 |
1266 |
0.988 |
239 |
1600 |
|
|
6 |
A1 |
1122 |
1081 |
0.963 |
239 |
1601 |
|
|
7 |
A1 |
895 |
839 |
0.937 |
239 |
1602 |
|
|
8 |
A1 |
813 |
657 |
0.808 |
239 |
1603 |
|
|
9 |
A1 |
462 |
423 |
0.914 |
239 |
1604 |
|
|
10 |
A2 |
1199 |
1172 |
0.977 |
239 |
1605 |
|
|
11 |
A2 |
1120 |
1063 |
0.949 |
239 |
1606 |
|
|
12 |
A2 |
956 |
909 |
0.951 |
239 |
1607 |
|
|
13 |
A2 |
835 |
838 |
1.004 |
239 |
1608 |
|
|
14 |
B1 |
3307 |
3120 |
0.943 |
239 |
1609 |
|
|
15 |
B1 |
1183 |
1110 |
0.938 |
239 |
1610 |
|
|
16 |
B1 |
1173 |
1092 |
0.931 |
239 |
1611 |
|
|
17 |
B1 |
1034 |
980 |
0.948 |
239 |
1612 |
|
|
18 |
B1 |
761 |
737 |
0.968 |
239 |
1613 |
|
|
19 |
B2 |
3213 |
3044 |
0.947 |
239 |
1614 |
|
|
20 |
B2 |
3118 |
2969 |
0.952 |
239 |
1615 |
|
|
21 |
B2 |
1526 |
1485 |
0.973 |
239 |
1616 |
|
|
22 |
B2 |
1301 |
1261 |
0.969 |
239 |
1617 |
|
|
23 |
B2 |
1086 |
1081 |
0.995 |
239 |
1618 |
|
|
24 |
B2 |
957 |
935 |
0.977 |
239 |
1619 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3411 |
3345 |
0.981 |
240 |
1620 |
|
|
2 |
A' |
3151 |
2985 |
0.947 |
240 |
1621 |
|
|
3 |
A' |
3118 |
2840 |
0.911 |
240 |
1622 |
|
|
4 |
A' |
3083 |
2860 |
0.928 |
240 |
1623 |
|
|
5 |
A' |
1717 |
1622 |
0.945 |
240 |
1624 |
|
|
6 |
A' |
1573 |
1487 |
0.945 |
240 |
1625 |
|
|
7 |
A' |
1558 |
1465 |
0.940 |
240 |
1626 |
|
|
8 |
A' |
1466 |
1378 |
0.940 |
240 |
1627 |
|
|
9 |
A' |
1417 |
1397 |
0.986 |
240 |
1628 |
|
|
10 |
A' |
1173 |
1016 |
0.866 |
240 |
1629 |
|
|
11 |
A' |
1059 |
1086 |
1.026 |
240 |
1630 |
|
|
12 |
A' |
903 |
892 |
0.988 |
240 |
1631 |
|
|
13 |
A' |
724 |
773 |
1.067 |
240 |
1632 |
|
|
14 |
A' |
402 |
403 |
1.003 |
240 |
1633 |
|
|
15 |
A" |
3513 |
3412 |
0.971 |
240 |
1634 |
|
|
16 |
A" |
3176 |
2924 |
0.921 |
240 |
1635 |
|
|
17 |
A" |
3148 |
2906 |
0.923 |
240 |
1636 |
|
|
18 |
A" |
1572 |
1455 |
0.926 |
240 |
1637 |
|
|
19 |
A" |
1413 |
1238 |
0.876 |
240 |
1638 |
|
|
20 |
A" |
1307 |
1293 |
0.989 |
240 |
1639 |
|
|
21 |
A" |
1032 |
1117 |
1.082 |
240 |
1640 |
|
|
22 |
A" |
811 |
816 |
1.006 |
240 |
1641 |
|
|
23 |
A" |
344 |
259 |
0.753 |
240 |
1642 |
|
|
24 |
A" |
289 |
218 |
0.755 |
240 |
1643 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3279 |
3063 |
0.934 |
241 |
1644 |
|
|
2 |
A1 |
3221 |
3043 |
0.945 |
241 |
1645 |
|
|
3 |
A1 |
1637 |
1572 |
0.960 |
241 |
1646 |
|
|
4 |
A1 |
1463 |
1414 |
0.967 |
241 |
1647 |
|
|
5 |
A1 |
1226 |
1283 |
1.047 |
241 |
1648 |
|
|
6 |
A1 |
1152 |
1160 |
1.007 |
241 |
1649 |
|
|
7 |
A1 |
1084 |
1063 |
0.981 |
241 |
1650 |
|
|
8 |
A1 |
906 |
964 |
1.064 |
241 |
1651 |
|
|
9 |
A1 |
700 |
619 |
0.884 |
241 |
1652 |
|
|
10 |
A2 |
1107 |
936 |
0.845 |
241 |
1653 |
|
|
11 |
A2 |
1003 |
863 |
0.860 |
241 |
1654 |
|
|
12 |
A2 |
798 |
751 |
0.941 |
241 |
1655 |
|
|
13 |
A2 |
388 |
421 |
1.086 |
241 |
1656 |
|
|
14 |
B1 |
1054 |
|
|
241 |
1657 |
|
|
15 |
B1 |
817 |
760 |
0.930 |
241 |
1658 |
|
|
16 |
B1 |
404 |
370 |
0.916 |
241 |
1659 |
|
|
17 |
B2 |
3264 |
3075 |
0.942 |
241 |
1660 |
|
|
18 |
B2 |
3219 |
3043 |
0.945 |
241 |
1661 |
|
|
19 |
B2 |
1595 |
1565 |
0.981 |
241 |
1662 |
|
|
20 |
B2 |
1470 |
1444 |
0.982 |
241 |
1663 |
|
|
21 |
B2 |
1337 |
1239 |
0.927 |
241 |
1664 |
|
|
22 |
B2 |
1099 |
1052 |
0.957 |
241 |
1665 |
|
|
23 |
B2 |
1055 |
1009 |
0.956 |
241 |
1666 |
|
|
24 |
B2 |
644 |
664 |
1.031 |
241 |
1667 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3255 |
3055 |
0.939 |
242 |
1668 |
|
|
2 |
Ag |
1604 |
1580 |
0.985 |
242 |
1669 |
|
|
3 |
Ag |
1280 |
1233 |
0.963 |
242 |
1670 |
|
|
4 |
Ag |
1049 |
1016 |
0.968 |
242 |
1671 |
|
|
5 |
Ag |
625 |
602 |
0.963 |
242 |
1672 |
|
|
6 |
Au |
1085 |
960 |
0.885 |
242 |
1673 |
|
|
7 |
Au |
372 |
350 |
0.942 |
242 |
1674 |
|
|
8 |
B1g |
1003 |
927 |
0.924 |
242 |
1675 |
|
|
9 |
B1u |
3233 |
3012 |
0.932 |
242 |
1676 |
|
|
10 |
B1u |
1522 |
1483 |
0.974 |
242 |
1677 |
|
|
11 |
B1u |
1178 |
1130 |
0.960 |
242 |
1678 |
|
|
12 |
B1u |
1023 |
1018 |
0.995 |
242 |
1679 |
|
|
13 |
B2g |
1079 |
983 |
0.911 |
242 |
1680 |
|
|
14 |
B2g |
818 |
756 |
0.924 |
242 |
1681 |
|
|
15 |
B2u |
3246 |
3069 |
0.945 |
242 |
1682 |
|
|
16 |
B2u |
1462 |
1411 |
0.965 |
242 |
1683 |
|
|
17 |
B2u |
1148 |
1149 |
1.001 |
242 |
1684 |
|
|
18 |
B2u |
1102 |
1063 |
0.964 |
242 |
1685 |
|
|
19 |
B3g |
3229 |
3040 |
0.941 |
242 |
1686 |
|
|
20 |
B3g |
1562 |
1525 |
0.976 |
242 |
1687 |
|
|
21 |
B3g |
1408 |
1346 |
0.956 |
242 |
1688 |
|
|
22 |
B3g |
739 |
704 |
0.952 |
242 |
1689 |
|
|
23 |
B3u |
857 |
785 |
0.916 |
242 |
1690 |
|
|
24 |
B3u |
458 |
418 |
0.914 |
242 |
1691 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3586 |
3675 |
1.025 |
243 |
1692 |
|
|
2 |
A |
3261 |
3102 |
0.951 |
243 |
1693 |
|
|
3 |
A |
3180 |
3022 |
0.950 |
243 |
1694 |
|
|
4 |
A |
3169 |
2995 |
0.945 |
243 |
1695 |
|
|
5 |
A |
3041 |
2934 |
0.965 |
243 |
1696 |
|
|
6 |
A |
3006 |
2866 |
0.953 |
243 |
1697 |
|
|
7 |
A |
1756 |
1654 |
0.942 |
243 |
1698 |
|
|
8 |
A |
1571 |
1453 |
0.925 |
243 |
1699 |
|
|
9 |
A |
1516 |
1414 |
0.932 |
243 |
1700 |
|
|
10 |
A |
1465 |
1384 |
0.945 |
243 |
1701 |
|
|
11 |
A |
1349 |
1320 |
0.978 |
243 |
1702 |
|
|
12 |
A |
1291 |
1293 |
1.002 |
243 |
1703 |
|
|
13 |
A |
1266 |
1191 |
0.941 |
243 |
1704 |
|
|
14 |
A |
1168 |
1132 |
0.969 |
243 |
1705 |
|
|
15 |
A |
1069 |
1110 |
1.038 |
243 |
1706 |
|
|
16 |
A |
1064 |
1038 |
0.975 |
243 |
1707 |
|
|
17 |
A |
1021 |
995 |
0.975 |
243 |
1708 |
|
|
18 |
A |
1000 |
919 |
0.920 |
243 |
1709 |
|
|
19 |
A |
927 |
885 |
0.955 |
243 |
1710 |
|
|
20 |
A |
653 |
606 |
0.927 |
243 |
1711 |
|
|
22 |
A |
387 |
377 |
0.976 |
243 |
1712 |
|
|
23 |
A |
315 |
277 |
0.879 |
243 |
1713 |
|
|
24 |
A |
100 |
188 |
1.880 |
243 |
1714 |
CH3CH2CHO |
Propanal |
1 |
A' |
3130 |
2981 |
0.952 |
244 |
1715 |
|
|
2 |
A' |
3060 |
2904 |
0.949 |
244 |
1716 |
|
|
3 |
A' |
3050 |
2895 |
0.949 |
244 |
1717 |
|
|
4 |
A' |
3040 |
2809 |
0.924 |
244 |
1718 |
|
|
5 |
A' |
1793 |
1743 |
0.972 |
244 |
1719 |
|
|
6 |
A' |
1560 |
1460 |
0.936 |
244 |
1720 |
|
|
7 |
A' |
1510 |
1416 |
0.938 |
244 |
1721 |
|
|
8 |
A' |
1472 |
1390 |
0.944 |
244 |
1722 |
|
|
9 |
A' |
1461 |
1376 |
0.942 |
244 |
1723 |
|
|
10 |
A' |
1372 |
1335 |
0.973 |
244 |
1724 |
|
|
11 |
A' |
1130 |
1093 |
0.968 |
244 |
1725 |
|
|
12 |
A' |
1029 |
993 |
0.965 |
244 |
1726 |
|
|
13 |
A' |
873 |
848 |
0.972 |
244 |
1727 |
|
|
14 |
A' |
695 |
668 |
0.961 |
244 |
1728 |
|
|
15 |
A' |
292 |
271 |
0.928 |
244 |
1729 |
|
|
16 |
A" |
3120 |
2992 |
0.959 |
244 |
1730 |
|
|
17 |
A" |
3081 |
2942 |
0.955 |
244 |
1731 |
|
|
18 |
A" |
1560 |
1451 |
0.930 |
244 |
1732 |
|
|
19 |
A" |
1314 |
1250 |
0.951 |
244 |
1733 |
|
|
20 |
A" |
1180 |
1118 |
0.948 |
244 |
1734 |
|
|
21 |
A" |
941 |
892 |
0.948 |
244 |
1735 |
|
|
22 |
A" |
710 |
660 |
0.930 |
244 |
1736 |
|
|
23 |
A" |
240 |
220 |
0.916 |
244 |
1737 |
|
|
24 |
A" |
93 |
135 |
1.453 |
244 |
1738 |
C3H6O |
Oxetane |
1 |
A1 |
3182 |
2959 |
0.930 |
245 |
1739 |
|
|
2 |
A1 |
3134 |
2930 |
0.935 |
245 |
1740 |
|
|
3 |
A1 |
1607 |
1473 |
0.916 |
245 |
1741 |
|
|
4 |
A1 |
1544 |
1461 |
0.946 |
245 |
1742 |
|
|
5 |
A1 |
1384 |
1342 |
0.969 |
245 |
1743 |
|
|
6 |
A1 |
1031 |
1134 |
1.100 |
245 |
1744 |
|
|
7 |
A1 |
897 |
1018 |
1.135 |
245 |
1745 |
|
|
8 |
A1 |
812 |
908 |
1.118 |
245 |
1746 |
|
|
9 |
A2 |
3182 |
3000 |
0.943 |
245 |
1747 |
|
|
10 |
A2 |
1289 |
1283 |
0.996 |
245 |
1748 |
|
|
11 |
A2 |
1154 |
1185 |
1.027 |
245 |
1749 |
|
|
12 |
A2 |
889 |
986 |
1.109 |
245 |
1750 |
|
|
13 |
B1 |
3243 |
3007 |
0.927 |
245 |
1751 |
|
|
14 |
B1 |
3183 |
2940 |
0.924 |
245 |
1752 |
|
|
15 |
B1 |
1228 |
1225 |
0.998 |
245 |
1753 |
|
|
16 |
B1 |
1125 |
1142 |
1.015 |
245 |
1754 |
|
|
17 |
B1 |
785 |
836 |
1.065 |
245 |
1755 |
|
|
18 |
B1 |
136 |
90 |
0.661 |
245 |
1756 |
|
|
19 |
B2 |
3125 |
2966 |
0.949 |
245 |
1757 |
|
|
20 |
B2 |
1577 |
1508 |
0.956 |
245 |
1758 |
|
|
21 |
B2 |
1333 |
1458 |
1.094 |
245 |
1759 |
|
|
22 |
B2 |
1306 |
1363 |
1.044 |
245 |
1760 |
|
|
23 |
B2 |
1028 |
1228 |
1.195 |
245 |
1761 |
|
|
24 |
B2 |
933 |
936 |
1.003 |
245 |
1762 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3199 |
3018 |
0.944 |
246 |
1763 |
|
|
2 |
A |
3144 |
2985 |
0.950 |
246 |
1764 |
|
|
3 |
A |
3133 |
2958 |
0.944 |
246 |
1765 |
|
|
4 |
A |
3059 |
2945 |
0.963 |
246 |
1766 |
|
|
5 |
A |
3038 |
2922 |
0.962 |
246 |
1767 |
|
|
6 |
A |
2385 |
2245 |
0.941 |
246 |
1768 |
|
|
7 |
A |
1587 |
1472 |
0.928 |
246 |
1769 |
|
|
8 |
A |
1567 |
1452 |
0.927 |
246 |
1770 |
|
|
9 |
A |
1538 |
1439 |
0.936 |
246 |
1771 |
|
|
10 |
A |
1524 |
1431 |
0.939 |
246 |
1772 |
|
|
11 |
A |
1411 |
1368 |
0.969 |
246 |
1773 |
|
|
12 |
A |
1333 |
1287 |
0.965 |
246 |
1774 |
|
|
13 |
A |
1223 |
1199 |
0.981 |
246 |
1775 |
|
|
14 |
A |
1191 |
1161 |
0.975 |
246 |
1776 |
|
|
15 |
A |
1157 |
1127 |
0.974 |
246 |
1777 |
|
|
16 |
A |
1056 |
1016 |
0.962 |
246 |
1778 |
|
|
17 |
A |
933 |
925 |
0.992 |
246 |
1779 |
|
|
18 |
A |
914 |
890 |
0.974 |
246 |
1780 |
|
|
19 |
A |
632 |
586 |
0.927 |
246 |
1781 |
|
|
20 |
A |
438 |
404 |
0.922 |
246 |
1782 |
|
|
21 |
A |
402 |
347 |
0.863 |
246 |
1783 |
|
|
22 |
A |
287 |
243 |
0.846 |
246 |
1784 |
|
|
23 |
A |
216 |
170 |
0.789 |
246 |
1785 |
|
|
24 |
A |
134 |
113 |
0.841 |
246 |
1786 |
C3H6S |
Thietane |
1 |
A' |
3222 |
2994 |
0.929 |
247 |
1787 |
|
|
2 |
A' |
3176 |
2972 |
0.936 |
247 |
1788 |
|
|
3 |
A' |
3160 |
2946 |
0.932 |
247 |
1789 |
|
|
4 |
A' |
3122 |
2903 |
0.930 |
247 |
1790 |
|
|
5 |
A' |
1565 |
1470 |
0.939 |
247 |
1791 |
|
|
6 |
A' |
1532 |
1452 |
0.948 |
247 |
1792 |
|
|
7 |
A' |
1304 |
1224 |
0.939 |
247 |
1793 |
|
|
8 |
A' |
1241 |
1183 |
0.954 |
247 |
1794 |
|
|
9 |
A' |
1002 |
975 |
0.973 |
247 |
1795 |
|
|
10 |
A' |
937 |
933 |
0.996 |
247 |
1796 |
|
|
11 |
A' |
852 |
845 |
0.992 |
247 |
1797 |
|
|
12 |
A' |
735 |
700 |
0.953 |
247 |
1798 |
|
|
13 |
A' |
559 |
529 |
0.946 |
247 |
1799 |
|
|
14 |
A' |
118 |
|
|
247 |
1800 |
|
|
15 |
A" |
3218 |
2994 |
0.930 |
247 |
1801 |
|
|
16 |
A" |
3159 |
2950 |
0.934 |
247 |
1802 |
|
|
17 |
A" |
1545 |
1454 |
0.941 |
247 |
1803 |
|
|
18 |
A" |
1348 |
1281 |
0.950 |
247 |
1804 |
|
|
19 |
A" |
1303 |
1229 |
0.943 |
247 |
1805 |
|
|
20 |
A" |
1245 |
1165 |
0.935 |
247 |
1806 |
|
|
21 |
A" |
1094 |
1011 |
0.924 |
247 |
1807 |
|
|
22 |
A" |
983 |
986 |
1.003 |
247 |
1808 |
|
|
23 |
A" |
844 |
823 |
0.975 |
247 |
1809 |
|
|
24 |
A" |
699 |
677 |
0.969 |
247 |
1810 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3178 |
2990 |
0.941 |
248 |
1811 |
|
|
2 |
A |
3152 |
2983 |
0.946 |
248 |
1812 |
|
|
3 |
A |
3070 |
2913 |
0.949 |
248 |
1813 |
|
|
4 |
A |
1548 |
1426 |
0.921 |
248 |
1814 |
|
|
5 |
A |
1534 |
1419 |
0.925 |
248 |
1815 |
|
|
6 |
A |
1429 |
1311 |
0.918 |
248 |
1816 |
|
|
7 |
A |
1025 |
955 |
0.931 |
248 |
1817 |
|
|
8 |
A |
1016 |
949 |
0.934 |
248 |
1818 |
|
|
9 |
A |
692 |
694 |
1.002 |
248 |
1819 |
|
|
10 |
A |
523 |
509 |
0.972 |
248 |
1820 |
|
|
11 |
A |
243 |
240 |
0.986 |
248 |
1821 |
|
|
12 |
A |
167 |
134 |
0.803 |
248 |
1822 |
|
|
13 |
A |
90 |
117 |
1.300 |
248 |
1823 |
|
|
14 |
B |
3178 |
2990 |
0.941 |
248 |
1824 |
|
|
15 |
B |
3151 |
2983 |
0.947 |
248 |
1825 |
|
|
16 |
B |
3068 |
2915 |
0.950 |
248 |
1826 |
|
|
17 |
B |
1554 |
1430 |
0.920 |
248 |
1827 |
|
|
18 |
B |
1528 |
1415 |
0.926 |
248 |
1828 |
|
|
19 |
B |
1420 |
1303 |
0.917 |
248 |
1829 |
|
|
20 |
B |
1034 |
955 |
0.923 |
248 |
1830 |
|
|
21 |
B |
1006 |
949 |
0.943 |
248 |
1831 |
|
|
22 |
B |
690 |
691 |
1.002 |
248 |
1832 |
|
|
23 |
B |
274 |
274 |
1.002 |
248 |
1833 |
|
|
24 |
B |
189 |
134 |
0.707 |
248 |
1834 |
C3H8 |
Propane |
1 |
A1 |
3148 |
2977 |
0.946 |
249 |
1835 |
|
|
2 |
A1 |
3077 |
2962 |
0.963 |
249 |
1836 |
|
|
3 |
A1 |
3070 |
2887 |
0.940 |
249 |
1837 |
|
|
4 |
A1 |
1576 |
1476 |
0.936 |
249 |
1838 |
|
|
5 |
A1 |
1555 |
1462 |
0.940 |
249 |
1839 |
|
|
6 |
A1 |
1473 |
1392 |
0.945 |
249 |
1840 |
|
|
7 |
A1 |
1211 |
1158 |
0.956 |
249 |
1841 |
|
|
8 |
A1 |
883 |
869 |
0.984 |
249 |
1842 |
|
|
9 |
A1 |
384 |
369 |
0.961 |
249 |
1843 |
|
|
10 |
A2 |
3131 |
2967 |
0.947 |
249 |
1844 |
|
|
11 |
A2 |
1558 |
1451 |
0.931 |
249 |
1845 |
|
|
12 |
A2 |
1355 |
1278 |
0.943 |
249 |
1846 |
|
|
13 |
A2 |
954 |
940 |
0.985 |
249 |
1847 |
|
|
14 |
A2 |
218 |
216 |
0.992 |
249 |
1848 |
|
|
15 |
B1 |
3146 |
2973 |
0.945 |
249 |
1849 |
|
|
16 |
B1 |
3103 |
2968 |
0.956 |
249 |
1850 |
|
|
17 |
B1 |
1576 |
1472 |
0.934 |
249 |
1851 |
|
|
18 |
B1 |
1249 |
1192 |
0.954 |
249 |
1852 |
|
|
19 |
B1 |
776 |
748 |
0.964 |
249 |
1853 |
|
|
20 |
B1 |
275 |
268 |
0.974 |
249 |
1854 |
|
|
21 |
B2 |
3146 |
2968 |
0.944 |
249 |
1855 |
|
|
22 |
B2 |
3070 |
2887 |
0.941 |
249 |
1856 |
|
|
23 |
B2 |
1564 |
1464 |
0.936 |
249 |
1857 |
|
|
24 |
B2 |
1456 |
1378 |
0.947 |
249 |
1858 |
|
|
25 |
B2 |
1397 |
1338 |
0.958 |
249 |
1859 |
|
|
26 |
B2 |
1066 |
1054 |
0.988 |
249 |
1860 |
|
|
27 |
B2 |
969 |
922 |
0.952 |
249 |
1861 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3304 |
3091 |
0.935 |
250 |
1862 |
|
|
2 |
A1 |
3263 |
3075 |
0.942 |
250 |
1863 |
|
|
3 |
A1 |
3114 |
2886 |
0.927 |
250 |
1864 |
|
|
4 |
A1 |
1581 |
1500 |
0.949 |
250 |
1865 |
|
|
5 |
A1 |
1482 |
1378 |
0.930 |
250 |
1866 |
|
|
6 |
A1 |
1413 |
1365 |
0.966 |
250 |
1867 |
|
|
7 |
A1 |
1167 |
1106 |
0.948 |
250 |
1868 |
|
|
8 |
A1 |
1005 |
994 |
0.989 |
250 |
1869 |
|
|
9 |
A1 |
919 |
915 |
0.995 |
250 |
1870 |
|
|
10 |
A1 |
844 |
802 |
0.950 |
250 |
1871 |
|
|
11 |
A2 |
1198 |
1100 |
0.918 |
250 |
1872 |
|
|
12 |
A2 |
1028 |
941 |
0.916 |
250 |
1873 |
|
|
13 |
A2 |
770 |
700 |
0.909 |
250 |
1874 |
|
|
14 |
A2 |
546 |
516 |
0.944 |
250 |
1875 |
|
|
15 |
B1 |
3149 |
2900 |
0.921 |
250 |
1876 |
|
|
16 |
B1 |
1024 |
925 |
0.903 |
250 |
1877 |
|
|
17 |
B1 |
954 |
891 |
0.934 |
250 |
1878 |
|
|
18 |
B1 |
717 |
664 |
0.926 |
250 |
1879 |
|
|
19 |
B1 |
373 |
350 |
0.939 |
250 |
1880 |
|
|
20 |
B2 |
3290 |
3105 |
0.944 |
250 |
1881 |
|
|
21 |
B2 |
3259 |
3043 |
0.934 |
250 |
1882 |
|
|
22 |
B2 |
1663 |
1580 |
0.950 |
250 |
1883 |
|
|
23 |
B2 |
1349 |
1292 |
0.958 |
250 |
1884 |
|
|
24 |
B2 |
1297 |
1239 |
0.955 |
250 |
1885 |
|
|
25 |
B2 |
1151 |
1090 |
0.947 |
250 |
1886 |
|
|
26 |
B2 |
988 |
959 |
0.971 |
250 |
1887 |
|
|
27 |
B2 |
845 |
805 |
0.953 |
250 |
1888 |
C3H7N |
Cyclopropylamine |
1 |
A' |
3445 |
3348 |
0.972 |
251 |
1889 |
|
|
2 |
A' |
3283 |
3100 |
0.944 |
251 |
1890 |
|
|
3 |
A' |
3184 |
3032 |
0.952 |
251 |
1891 |
|
|
4 |
A' |
3103 |
2975 |
0.959 |
251 |
1892 |
|
|
5 |
A' |
1706 |
1617 |
0.948 |
251 |
1893 |
|
|
6 |
A' |
1521 |
1456 |
0.958 |
251 |
1894 |
|
|
7 |
A' |
1426 |
1374 |
0.964 |
251 |
1895 |
|
|
8 |
A' |
1237 |
1214 |
0.981 |
251 |
1896 |
|
|
9 |
A' |
1191 |
1168 |
0.981 |
251 |
1897 |
|
|
10 |
A' |
1087 |
1150 |
1.058 |
251 |
1898 |
|
|
11 |
A' |
1020 |
1020 |
1.000 |
251 |
1899 |
|
|
12 |
A' |
833 |
989 |
1.188 |
251 |
1900 |
|
|
13 |
A' |
787 |
805 |
1.023 |
251 |
1901 |
|
|
14 |
A' |
665 |
762 |
1.145 |
251 |
1902 |
|
|
15 |
A' |
405 |
408 |
1.007 |
251 |
1903 |
|
|
16 |
A" |
3548 |
3412 |
0.962 |
251 |
1904 |
|
|
17 |
A" |
3270 |
3100 |
0.948 |
251 |
1905 |
|
|
18 |
A" |
3179 |
3023 |
0.951 |
251 |
1906 |
|
|
19 |
A" |
1493 |
1424 |
0.954 |
251 |
1907 |
|
|
20 |
A" |
1279 |
1104 |
0.863 |
251 |
1908 |
|
|
21 |
A" |
1217 |
1045 |
0.859 |
251 |
1909 |
|
|
22 |
A" |
1155 |
1026 |
0.888 |
251 |
1910 |
|
|
23 |
A" |
1113 |
940 |
0.844 |
251 |
1911 |
|
|
24 |
A" |
906 |
884 |
0.975 |
251 |
1912 |
|
|
25 |
A" |
858 |
830 |
0.967 |
251 |
1913 |
|
|
26 |
A" |
418 |
396 |
0.947 |
251 |
1914 |
|
|
27 |
A" |
293 |
254 |
0.866 |
251 |
1915 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3198 |
3035 |
0.949 |
252 |
1916 |
|
|
2 |
A' |
3189 |
3031 |
0.950 |
252 |
1917 |
|
|
3 |
A' |
3081 |
2966 |
0.963 |
252 |
1918 |
|
|
4 |
A' |
3066 |
2964 |
0.967 |
252 |
1919 |
|
|
5 |
A' |
1829 |
1771 |
0.968 |
252 |
1920 |
|
|
6 |
A' |
1571 |
1460 |
0.930 |
252 |
1921 |
|
|
7 |
A' |
1527 |
1440 |
0.943 |
252 |
1922 |
|
|
8 |
A' |
1507 |
1430 |
0.949 |
252 |
1923 |
|
|
9 |
A' |
1442 |
1375 |
0.953 |
252 |
1924 |
|
|
10 |
A' |
1291 |
1248 |
0.966 |
252 |
1925 |
|
|
11 |
A' |
1203 |
1159 |
0.964 |
252 |
1926 |
|
|
12 |
A' |
1097 |
1060 |
0.966 |
252 |
1927 |
|
|
13 |
A' |
1001 |
980 |
0.979 |
252 |
1928 |
|
|
14 |
A' |
845 |
844 |
0.999 |
252 |
1929 |
|
|
15 |
A' |
648 |
639 |
0.986 |
252 |
1930 |
|
|
16 |
A' |
408 |
429 |
1.052 |
252 |
1931 |
|
|
17 |
A' |
272 |
303 |
1.116 |
252 |
1932 |
|
|
18 |
A" |
3145 |
3005 |
0.956 |
252 |
1933 |
|
|
19 |
A" |
3126 |
2994 |
0.958 |
252 |
1934 |
|
|
20 |
A" |
1552 |
1460 |
0.941 |
252 |
1935 |
|
|
21 |
A" |
1535 |
1430 |
0.932 |
252 |
1936 |
|
|
22 |
A" |
1185 |
1187 |
1.002 |
252 |
1937 |
|
|
23 |
A" |
1103 |
1036 |
0.939 |
252 |
1938 |
|
|
24 |
A" |
602 |
607 |
1.009 |
252 |
1939 |
|
|
25 |
A" |
167 |
187 |
1.121 |
252 |
1940 |
|
|
26 |
A" |
30i |
136 |
-4.595 |
252 |
1941 |
|
|
27 |
A" |
89i |
110 |
-1.241 |
252 |
1942 |
C2H6O2S |
Dimethyl sulfone |
1 |
A1 |
3213 |
3018 |
0.939 |
253 |
1943 |
|
|
2 |
A1 |
3128 |
2936 |
0.939 |
253 |
1944 |
|
|
3 |
A1 |
1533 |
1451 |
0.946 |
253 |
1945 |
|
|
4 |
A1 |
1456 |
1337 |
0.918 |
253 |
1946 |
|
|
5 |
A1 |
1199 |
1121 |
0.935 |
253 |
1947 |
|
|
6 |
A1 |
1069 |
1013 |
0.947 |
253 |
1948 |
|
|
7 |
A1 |
711 |
703 |
0.989 |
253 |
1949 |
|
|
8 |
A1 |
505 |
496 |
0.982 |
253 |
1950 |
|
|
9 |
A1 |
301 |
294 |
0.977 |
253 |
1951 |
|
|
10 |
A2 |
3222 |
3024 |
0.939 |
253 |
1952 |
|
|
11 |
A2 |
1525 |
1405 |
0.921 |
253 |
1953 |
|
|
12 |
A2 |
999 |
937 |
0.938 |
253 |
1954 |
|
|
13 |
A2 |
289 |
326 |
1.127 |
253 |
1955 |
|
|
14 |
A2 |
272 |
|
|
253 |
1956 |
|
|
15 |
B1 |
3227 |
3025 |
0.937 |
253 |
1957 |
|
|
16 |
B1 |
1542 |
1428 |
0.926 |
253 |
1958 |
|
|
17 |
B1 |
1413 |
1269 |
0.898 |
253 |
1959 |
|
|
18 |
B1 |
1060 |
986 |
0.931 |
253 |
1960 |
|
|
19 |
B1 |
372 |
396 |
1.065 |
253 |
1961 |
|
|
20 |
B1 |
300 |
262 |
0.873 |
253 |
1962 |
|
|
21 |
B2 |
3211 |
3017 |
0.939 |
253 |
1963 |
|
|
22 |
B2 |
3125 |
2936 |
0.939 |
253 |
1964 |
|
|
23 |
B2 |
1522 |
1438 |
0.945 |
253 |
1965 |
|
|
24 |
B2 |
1441 |
1322 |
0.918 |
253 |
1966 |
|
|
25 |
B2 |
1010 |
958 |
0.948 |
253 |
1967 |
|
|
26 |
B2 |
782 |
771 |
0.986 |
253 |
1968 |
|
|
27 |
B2 |
447 |
465 |
1.040 |
253 |
1969 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3172 |
3005 |
0.947 |
254 |
1970 |
|
|
2 |
A' |
3159 |
2955 |
0.936 |
254 |
1971 |
|
|
3 |
A' |
3133 |
2927 |
0.934 |
254 |
1972 |
|
|
4 |
A' |
3082 |
2878 |
0.934 |
254 |
1973 |
|
|
5 |
A' |
1571 |
1472 |
0.937 |
254 |
1974 |
|
|
6 |
A' |
1559 |
1454 |
0.932 |
254 |
1975 |
|
|
7 |
A' |
1476 |
1390 |
0.942 |
254 |
1976 |
|
|
8 |
A' |
1326 |
1270 |
0.958 |
254 |
1977 |
|
|
9 |
A' |
1224 |
1163 |
0.950 |
254 |
1978 |
|
|
10 |
A' |
1125 |
1065 |
0.947 |
254 |
1979 |
|
|
11 |
A' |
903 |
888 |
0.983 |
254 |
1980 |
|
|
12 |
A' |
641 |
633 |
0.987 |
254 |
1981 |
|
|
13 |
A' |
432 |
418 |
0.968 |
254 |
1982 |
|
|
14 |
A' |
350 |
336 |
0.961 |
254 |
1983 |
|
|
15 |
A' |
280 |
253 |
0.905 |
254 |
1984 |
|
|
16 |
A" |
3168 |
2997 |
0.946 |
254 |
1985 |
|
|
17 |
A" |
3148 |
2985 |
0.948 |
254 |
1986 |
|
|
18 |
A" |
3079 |
2947 |
0.957 |
254 |
1987 |
|
|
19 |
A" |
1551 |
1472 |
0.949 |
254 |
1988 |
|
|
20 |
A" |
1546 |
1454 |
0.941 |
254 |
1989 |
|
|
21 |
A" |
1459 |
1377 |
0.944 |
254 |
1990 |
|
|
22 |
A" |
1387 |
1334 |
0.961 |
254 |
1991 |
|
|
23 |
A" |
1160 |
1123 |
0.968 |
254 |
1992 |
|
|
24 |
A" |
994 |
972 |
0.978 |
254 |
1993 |
|
|
25 |
A" |
982 |
936 |
0.954 |
254 |
1994 |
|
|
26 |
A" |
332 |
317 |
0.954 |
254 |
1995 |
|
|
27 |
A" |
251 |
276 |
1.101 |
254 |
1996 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3187 |
2989 |
0.938 |
255 |
1997 |
|
|
2 |
A1 |
3185 |
2941 |
0.923 |
255 |
1998 |
|
|
3 |
A1 |
3087 |
2911 |
0.943 |
255 |
1999 |
|
|
4 |
A1 |
1762 |
1661 |
0.943 |
255 |
2000 |
|
|
5 |
A1 |
1573 |
1470 |
0.935 |
255 |
2001 |
|
|
6 |
A1 |
1504 |
1416 |
0.942 |
255 |
2002 |
|
|
7 |
A1 |
1475 |
1366 |
0.926 |
255 |
2003 |
|
|
8 |
A1 |
1133 |
1064 |
0.939 |
255 |
2004 |
|
|
9 |
A1 |
817 |
801 |
0.980 |
255 |
2005 |
|
|
10 |
A1 |
390 |
383 |
0.983 |
255 |
2006 |
|
|
11 |
A2 |
3133 |
2970 |
0.948 |
255 |
2007 |
|
|
12 |
A2 |
1552 |
1459 |
0.940 |
255 |
2008 |
|
|
13 |
A2 |
1070 |
1076 |
1.006 |
255 |
2009 |
|
|
14 |
A2 |
738 |
|
|
255 |
2010 |
|
|
15 |
A2 |
251 |
193 |
0.769 |
255 |
2011 |
|
|
16 |
B1 |
3137 |
2945 |
0.939 |
255 |
2012 |
|
|
17 |
B1 |
1571 |
1444 |
0.919 |
255 |
2013 |
|
|
18 |
B1 |
1158 |
1079 |
0.932 |
255 |
2014 |
|
|
19 |
B1 |
995 |
890 |
0.894 |
255 |
2015 |
|
|
20 |
B1 |
441 |
429 |
0.973 |
255 |
2016 |
|
|
21 |
B1 |
275 |
196 |
0.714 |
255 |
2017 |
|
|
22 |
B2 |
3267 |
3086 |
0.945 |
255 |
2018 |
|
|
23 |
B2 |
3184 |
2980 |
0.936 |
255 |
2019 |
|
|
24 |
B2 |
3083 |
2893 |
0.938 |
255 |
2020 |
|
|
25 |
B2 |
1559 |
1458 |
0.935 |
255 |
2021 |
|
|
26 |
B2 |
1462 |
1381 |
0.944 |
255 |
2022 |
|
|
27 |
B2 |
1327 |
1282 |
0.966 |
255 |
2023 |
|
|
28 |
B2 |
1032 |
1043 |
1.011 |
255 |
2024 |
|
|
29 |
B2 |
994 |
974 |
0.980 |
255 |
2025 |
|
|
30 |
B2 |
452 |
430 |
0.951 |
255 |
2026 |
CH3CHCHCH3 |
2-Butene, (Z)- |
1 |
A1 |
3177 |
3033 |
0.955 |
256 |
2027 |
|
|
2 |
A1 |
3144 |
2965 |
0.943 |
256 |
2028 |
|
|
3 |
A1 |
3096 |
2878 |
0.930 |
256 |
2029 |
|
|
4 |
A1 |
1761 |
1669 |
0.948 |
256 |
2030 |
|
|
5 |
A1 |
1572 |
1448 |
0.921 |
256 |
2031 |
|
|
6 |
A1 |
1487 |
1397 |
0.939 |
256 |
2032 |
|
|
7 |
A1 |
1331 |
1261 |
0.947 |
256 |
2033 |
|
|
8 |
A1 |
1066 |
986 |
0.925 |
256 |
2034 |
|
|
9 |
A1 |
879 |
880 |
1.001 |
256 |
2035 |
|
|
10 |
A1 |
323 |
290 |
0.899 |
256 |
2036 |
|
|
11 |
A2 |
3144 |
2988 |
0.950 |
256 |
2037 |
|
|
12 |
A2 |
1560 |
1464 |
0.938 |
256 |
2038 |
|
|
13 |
A2 |
1123 |
1037 |
0.924 |
256 |
2039 |
|
|
14 |
A2 |
1040 |
880 |
0.846 |
256 |
2040 |
|
|
15 |
A2 |
401 |
396 |
0.988 |
256 |
2041 |
|
|
17 |
B1 |
3145 |
2965 |
0.943 |
256 |
2042 |
|
|
18 |
B1 |
1566 |
1448 |
0.925 |
256 |
2043 |
|
|
19 |
B1 |
1116 |
986 |
0.884 |
256 |
2044 |
|
|
20 |
B1 |
709 |
673 |
0.949 |
256 |
2045 |
|
|
22 |
B2 |
3162 |
3033 |
0.959 |
256 |
2046 |
|
|
23 |
B2 |
3121 |
2965 |
0.950 |
256 |
2047 |
|
|
24 |
B2 |
3091 |
2900 |
0.938 |
256 |
2048 |
|
|
25 |
B2 |
1561 |
1448 |
0.928 |
256 |
2049 |
|
|
26 |
B2 |
1476 |
1420 |
0.962 |
256 |
2050 |
|
|
27 |
B2 |
1459 |
1397 |
0.958 |
256 |
2051 |
|
|
28 |
B2 |
1188 |
1135 |
0.956 |
256 |
2052 |
|
|
29 |
B2 |
991 |
986 |
0.995 |
256 |
2053 |
|
|
30 |
B2 |
588 |
583 |
0.992 |
256 |
2054 |
CH3CHCHCH3 |
2-Butene, (E)- |
1 |
Ag |
3149 |
3011 |
0.956 |
257 |
2055 |
|
|
2 |
Ag |
3120 |
2954 |
0.947 |
257 |
2056 |
|
|
3 |
Ag |
3081 |
2874 |
0.933 |
257 |
2057 |
|
|
4 |
Ag |
1773 |
1680 |
0.948 |
257 |
2058 |
|
|
5 |
Ag |
1566 |
1457 |
0.931 |
257 |
2059 |
|
|
6 |
Ag |
1475 |
1385 |
0.939 |
257 |
2060 |
|
|
7 |
Ag |
1378 |
1309 |
0.950 |
257 |
2061 |
|
|
8 |
Ag |
1197 |
1146 |
0.957 |
257 |
2062 |
|
|
9 |
Ag |
900 |
866 |
0.963 |
257 |
2063 |
|
|
10 |
Ag |
521 |
501 |
0.963 |
257 |
2064 |
|
|
11 |
Au |
3146 |
2960 |
0.941 |
257 |
2065 |
|
|
12 |
Au |
1556 |
1449 |
0.931 |
257 |
2066 |
|
|
13 |
Au |
1118 |
1057 |
0.945 |
257 |
2067 |
|
|
14 |
Au |
1037 |
964 |
0.930 |
257 |
2068 |
|
|
15 |
Au |
257 |
224 |
0.872 |
257 |
2069 |
|
|
17 |
Bg |
3146 |
2954 |
0.939 |
257 |
2070 |
|
|
18 |
Bg |
1556 |
1457 |
0.936 |
257 |
2071 |
|
|
19 |
Bg |
1129 |
1039 |
0.921 |
257 |
2072 |
|
|
20 |
Bg |
800 |
750 |
0.938 |
257 |
2073 |
|
|
22 |
Bu |
3152 |
3021 |
0.958 |
257 |
2074 |
|
|
23 |
Bu |
3127 |
2960 |
0.947 |
257 |
2075 |
|
|
24 |
Bu |
3080 |
2899 |
0.941 |
257 |
2076 |
|
|
25 |
Bu |
1573 |
1449 |
0.921 |
257 |
2077 |
|
|
26 |
Bu |
1474 |
1393 |
0.945 |
257 |
2078 |
|
|
27 |
Bu |
1374 |
1311 |
0.954 |
257 |
2079 |
|
|
28 |
Bu |
1087 |
1072 |
0.986 |
257 |
2080 |
|
|
29 |
Bu |
1036 |
987 |
0.953 |
257 |
2081 |
|
|
30 |
Bu |
296 |
261 |
0.883 |
257 |
2082 |
C6H6 |
Benzene |
1 |
A1g |
3270 |
3062 |
0.937 |
258 |
2083 |
|
|
2 |
A1g |
1030 |
992 |
0.963 |
258 |
2084 |
|
|
3 |
A2g |
1434 |
1326 |
0.925 |
258 |
2085 |
|
|
4 |
A2u |
707 |
673 |
0.951 |
258 |
2086 |
|
|
5 |
B1u |
3234 |
3068 |
0.949 |
258 |
2087 |
|
|
6 |
B1u |
1064 |
1010 |
0.949 |
258 |
2088 |
|
|
7 |
B2g |
1081 |
995 |
0.921 |
258 |
2089 |
|
|
8 |
B2g |
762 |
703 |
0.923 |
258 |
2090 |
|
|
9 |
B2u |
1304 |
1310 |
1.005 |
258 |
2091 |
|
|
10 |
B2u |
1220 |
1150 |
0.943 |
258 |
2092 |
|
|
11 |
E1g |
900 |
849 |
0.943 |
258 |
2093 |
|
|
12 |
E1u |
3257 |
3063 |
0.940 |
258 |
2094 |
|
|
13 |
E1u |
1547 |
1486 |
0.960 |
258 |
2095 |
|
|
14 |
E1u |
1080 |
1038 |
0.961 |
258 |
2096 |
|
|
15 |
E2g |
3243 |
3047 |
0.940 |
258 |
2097 |
|
|
16 |
E2g |
1654 |
1596 |
0.965 |
258 |
2098 |
|
|
17 |
E2g |
1242 |
1178 |
0.949 |
258 |
2099 |
|
|
18 |
E2g |
647 |
606 |
0.936 |
258 |
2100 |
|
|
19 |
E2u |
1040 |
975 |
0.937 |
258 |
2101 |
|
|
20 |
E2u |
425 |
410 |
0.965 |
258 |
2102 |
C4H8 |
cyclobutane |
1 |
A1 |
3200 |
2951 |
0.922 |
259 |
2103 |
|
|
2 |
A1 |
3173 |
2862 |
0.902 |
259 |
2104 |
|
|
3 |
A1 |
1577 |
1468 |
0.931 |
259 |
2105 |
|
|
4 |
A1 |
1162 |
1153 |
0.992 |
259 |
2106 |
|
|
5 |
A1 |
995 |
1004 |
1.009 |
259 |
2107 |
|
|
6 |
A1 |
35i |
199 |
-5.717 |
259 |
2108 |
|
|
7 |
A2 |
1330 |
1260 |
0.947 |
259 |
2109 |
|
|
8 |
A2 |
1048 |
941 |
0.898 |
259 |
2110 |
|
|
9 |
B1 |
1285 |
1231 |
0.958 |
259 |
2111 |
|
|
10 |
B1 |
1273 |
1142 |
0.897 |
259 |
2112 |
|
|
11 |
B1 |
964 |
928 |
0.962 |
259 |
2113 |
|
|
12 |
B2 |
3238 |
2973 |
0.918 |
259 |
2114 |
|
|
13 |
B2 |
3161 |
2934 |
0.928 |
259 |
2115 |
|
|
14 |
B2 |
1536 |
1440 |
0.937 |
259 |
2116 |
|
|
15 |
B2 |
786 |
883 |
1.124 |
259 |
2117 |
|
|
16 |
B2 |
762 |
625 |
0.821 |
259 |
2118 |
|
|
17 |
E |
3218 |
2959 |
0.920 |
259 |
2119 |
|
|
18 |
E |
3163 |
2862 |
0.905 |
259 |
2120 |
|
|
19 |
E |
1543 |
1441 |
0.934 |
259 |
2121 |
|
|
20 |
E |
1328 |
1252 |
0.943 |
259 |
2122 |
|
|
21 |
E |
1299 |
1217 |
0.937 |
259 |
2123 |
|
|
22 |
E |
905 |
893 |
0.986 |
259 |
2124 |
|
|
23 |
E |
767 |
746 |
0.972 |
259 |
2125 |
C6H6 |
Fulvene |
1 |
A1 |
3313 |
3088 |
0.932 |
260 |
2126 |
|
|
2 |
A1 |
3278 |
3051 |
0.931 |
260 |
2127 |
|
|
3 |
A1 |
3186 |
3008 |
0.944 |
260 |
2128 |
|
|
4 |
A1 |
1743 |
1632 |
0.936 |
260 |
2129 |
|
|
5 |
A1 |
1564 |
1486 |
0.950 |
260 |
2130 |
|
|
6 |
A1 |
1507 |
1449 |
0.962 |
260 |
2131 |
|
|
7 |
A1 |
1394 |
1342 |
0.963 |
260 |
2132 |
|
|
8 |
A1 |
1149 |
1082 |
0.941 |
260 |
2133 |
|
|
9 |
A1 |
985 |
986 |
1.001 |
260 |
2134 |
|
|
10 |
A1 |
907 |
894 |
0.985 |
260 |
2135 |
|
|
11 |
A1 |
693 |
641 |
0.925 |
260 |
2136 |
|
|
12 |
A2 |
1022 |
|
|
260 |
2137 |
|
|
13 |
A2 |
830 |
|
|
260 |
2138 |
|
|
14 |
A2 |
732 |
666 |
0.910 |
260 |
2139 |
|
|
15 |
A2 |
520 |
494 |
0.950 |
260 |
2140 |
|
|
16 |
B1 |
1033 |
926 |
0.896 |
260 |
2141 |
|
|
17 |
B1 |
1007 |
907 |
0.901 |
260 |
2142 |
|
|
18 |
B1 |
829 |
769 |
0.928 |
260 |
2143 |
|
|
19 |
B1 |
641 |
613 |
0.956 |
260 |
2144 |
|
|
20 |
B1 |
194 |
|
|
260 |
2145 |
|
|
21 |
B2 |
3299 |
|
|
260 |
2146 |
|
|
22 |
B2 |
3275 |
3104 |
0.948 |
260 |
2147 |
|
|
23 |
B2 |
3270 |
3075 |
0.940 |
260 |
2148 |
|
|
24 |
B2 |
1644 |
1550 |
0.943 |
260 |
2149 |
|
|
25 |
B2 |
1356 |
1314 |
0.969 |
260 |
2150 |
|
|
26 |
B2 |
1283 |
1232 |
0.961 |
260 |
2151 |
|
|
27 |
B2 |
1147 |
1077 |
0.939 |
260 |
2152 |
|
|
28 |
B2 |
987 |
952 |
0.965 |
260 |
2153 |
|
|
29 |
B2 |
832 |
795 |
0.955 |
260 |
2154 |
|
|
30 |
B2 |
355 |
350 |
0.986 |
260 |
2155 |
CH3CH2CH2CN |
Butanenitrile |
1 |
A' |
3132 |
2977 |
0.951 |
261 |
2156 |
|
|
2 |
A' |
3116 |
2895 |
0.929 |
261 |
2157 |
|
|
3 |
A' |
3106 |
2888 |
0.930 |
261 |
2158 |
|
|
4 |
A' |
3063 |
2883 |
0.941 |
261 |
2159 |
|
|
5 |
A' |
2398 |
2263 |
0.944 |
261 |
2160 |
|
|
6 |
A' |
1575 |
1472 |
0.935 |
261 |
2161 |
|
|
7 |
A' |
1563 |
1457 |
0.932 |
261 |
2162 |
|
|
8 |
A' |
1542 |
1438 |
0.933 |
261 |
2163 |
|
|
9 |
A' |
1472 |
1393 |
0.946 |
261 |
2164 |
|
|
10 |
A' |
1409 |
1346 |
0.955 |
261 |
2165 |
|
|
11 |
A' |
1357 |
1334 |
0.983 |
261 |
2166 |
|
|
12 |
A' |
1144 |
1100 |
0.962 |
261 |
2167 |
|
|
13 |
A' |
1053 |
1053 |
1.000 |
261 |
2168 |
|
|
14 |
A' |
973 |
920 |
0.945 |
261 |
2169 |
|
|
15 |
A' |
903 |
842 |
0.932 |
261 |
2170 |
|
|
16 |
A' |
586 |
551 |
0.940 |
261 |
2171 |
|
|
17 |
A' |
371 |
358 |
0.965 |
261 |
2172 |
|
|
18 |
A' |
191 |
|
|
261 |
2173 |
|
|
19 |
A" |
3172 |
2986 |
0.941 |
261 |
2174 |
|
|
20 |
A" |
3150 |
2964 |
0.941 |
261 |
2175 |
|
|
21 |
A" |
3136 |
2950 |
0.941 |
261 |
2176 |
|
|
22 |
A" |
1563 |
1469 |
0.940 |
261 |
2177 |
|
|
23 |
A" |
1369 |
1267 |
0.925 |
261 |
2178 |
|
|
24 |
A" |
1317 |
1234 |
0.937 |
261 |
2179 |
|
|
25 |
A" |
1185 |
1083 |
0.914 |
261 |
2180 |
|
|
26 |
A" |
924 |
871 |
0.942 |
261 |
2181 |
|
|
27 |
A" |
787 |
764 |
0.971 |
261 |
2182 |
|
|
28 |
A" |
467 |
370 |
0.792 |
261 |
2183 |
|
|
29 |
A" |
245 |
|
|
261 |
2184 |
|
|
30 |
A" |
118 |
|
|
261 |
2185 |
C3H6O3 |
1,3,5-Trioxane |
1 |
A1 |
3186 |
3020 |
0.948 |
262 |
2186 |
|
|
2 |
A1 |
3006 |
2855 |
0.950 |
262 |
2187 |
|
|
3 |
A1 |
1572 |
1477 |
0.939 |
262 |
2188 |
|
|
4 |
A1 |
1226 |
1168 |
0.953 |
262 |
2189 |
|
|
5 |
A1 |
984 |
970 |
0.986 |
262 |
2190 |
|
|
6 |
A1 |
733 |
749 |
1.022 |
262 |
2191 |
|
|
7 |
A1 |
445 |
476 |
1.069 |
262 |
2192 |
|
|
8 |
A2 |
1412 |
|
|
262 |
2193 |
|
|
9 |
A2 |
1257 |
1255 |
0.998 |
262 |
2194 |
|
|
10 |
A2 |
991 |
|
|
262 |
2195 |
|
|
11 |
E |
3180 |
3020 |
0.950 |
262 |
2196 |
|
|
12 |
E |
2993 |
2855 |
0.954 |
262 |
2197 |
|
|
13 |
E |
1550 |
1477 |
0.953 |
262 |
2198 |
|
|
14 |
E |
1466 |
1412 |
0.963 |
262 |
2199 |
|
|
15 |
E |
1338 |
1309 |
0.978 |
262 |
2200 |
|
|
16 |
E |
1169 |
1168 |
0.999 |
262 |
2201 |
|
|
17 |
E |
1075 |
1068 |
0.994 |
262 |
2202 |
|
|
18 |
E |
938 |
935 |
0.996 |
262 |
2203 |
|
|
19 |
E |
514 |
524 |
1.020 |
262 |
2204 |
|
|
20 |
E |
286 |
307 |
1.074 |
262 |
2205 |
C6H5Cl |
chlorobenzene |
1 |
A1 |
3250 |
3084 |
0.949 |
263 |
2206 |
|
|
2 |
A1 |
3224 |
3054 |
0.947 |
263 |
2207 |
|
|
3 |
A1 |
3202 |
3031 |
0.946 |
263 |
2208 |
|
|
4 |
A1 |
1652 |
1586 |
0.960 |
263 |
2209 |
|
|
5 |
A1 |
1548 |
1483 |
0.958 |
263 |
2210 |
|
|
6 |
A1 |
1244 |
1174 |
0.944 |
263 |
2211 |
|
|
7 |
A1 |
1146 |
1092 |
0.953 |
263 |
2212 |
|
|
8 |
A1 |
1075 |
1025 |
0.953 |
263 |
2213 |
|
|
9 |
A1 |
1049 |
1003 |
0.956 |
263 |
2214 |
|
|
10 |
A1 |
739 |
706 |
0.956 |
263 |
2215 |
|
|
11 |
A1 |
433 |
417 |
0.963 |
263 |
2216 |
|
|
12 |
A2 |
1046 |
961 |
0.919 |
263 |
2217 |
|
|
13 |
A2 |
896 |
832 |
0.928 |
263 |
2218 |
|
|
14 |
A2 |
436 |
403 |
0.925 |
263 |
2219 |
|
|
15 |
B1 |
1077 |
981 |
0.911 |
263 |
2220 |
|
|
16 |
B1 |
991 |
902 |
0.910 |
263 |
2221 |
|
|
17 |
B1 |
803 |
741 |
0.922 |
263 |
2222 |
|
|
18 |
B1 |
745 |
685 |
0.919 |
263 |
2223 |
|
|
19 |
B1 |
502 |
467 |
0.930 |
263 |
2224 |
|
|
20 |
B1 |
205 |
198 |
0.964 |
263 |
2225 |
|
|
21 |
B2 |
3248 |
3098 |
0.954 |
263 |
2226 |
|
|
22 |
B2 |
3214 |
3067 |
0.954 |
263 |
2227 |
|
|
23 |
B2 |
1654 |
1598 |
0.966 |
263 |
2228 |
|
|
24 |
B2 |
1515 |
1448 |
0.956 |
263 |
2229 |
|
|
25 |
B2 |
1392 |
1326 |
0.953 |
263 |
2230 |
|
|
26 |
B2 |
1308 |
1271 |
0.971 |
263 |
2231 |
|
|
27 |
B2 |
1231 |
1157 |
0.940 |
263 |
2232 |
|
|
28 |
B2 |
1126 |
1068 |
0.949 |
263 |
2233 |
|
|
29 |
B2 |
658 |
615 |
0.935 |
263 |
2234 |
|
|
30 |
B2 |
308 |
295 |
0.958 |
263 |
2235 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3276 |
3095 |
0.945 |
264 |
2236 |
|
|
2 |
A' |
3271 |
3095 |
0.946 |
264 |
2237 |
|
|
3 |
A' |
3187 |
3000 |
0.941 |
264 |
2238 |
|
|
4 |
A' |
3187 |
3000 |
0.941 |
264 |
2239 |
|
|
5 |
A' |
3152 |
3000 |
0.952 |
264 |
2240 |
|
|
6 |
A' |
3136 |
2984 |
0.952 |
264 |
2241 |
|
|
7 |
A' |
3066 |
2904 |
0.947 |
264 |
2242 |
|
|
8 |
A' |
1744 |
1638 |
0.939 |
264 |
2243 |
|
|
9 |
A' |
1704 |
1607 |
0.943 |
264 |
2244 |
|
|
10 |
A' |
1568 |
1464 |
0.934 |
264 |
2245 |
|
|
11 |
A' |
1516 |
1420 |
0.936 |
264 |
2246 |
|
|
12 |
A' |
1488 |
1389 |
0.934 |
264 |
2247 |
|
|
13 |
A' |
1463 |
1363 |
0.932 |
264 |
2248 |
|
|
14 |
A' |
1367 |
1313 |
0.960 |
264 |
2249 |
|
|
15 |
A' |
1353 |
1303 |
0.963 |
264 |
2250 |
|
|
16 |
A' |
1129 |
1072 |
0.950 |
264 |
2251 |
|
|
17 |
A' |
1056 |
1012 |
0.958 |
264 |
2252 |
|
|
18 |
A' |
983 |
953 |
0.969 |
264 |
2253 |
|
|
19 |
A' |
794 |
770 |
0.970 |
264 |
2254 |
|
|
20 |
A' |
553 |
530 |
0.958 |
264 |
2255 |
|
|
21 |
A' |
442 |
396 |
0.897 |
264 |
2256 |
|
|
22 |
A' |
300 |
196 |
0.653 |
264 |
2257 |
|
|
23 |
A" |
3141 |
2949 |
0.939 |
264 |
2258 |
|
|
24 |
A" |
1544 |
1451 |
0.940 |
264 |
2259 |
|
|
25 |
A" |
1120 |
1034 |
0.923 |
264 |
2260 |
|
|
26 |
A" |
1072 |
991 |
0.925 |
264 |
2261 |
|
|
27 |
A" |
1007 |
907 |
0.901 |
264 |
2262 |
|
|
28 |
A" |
1004 |
907 |
0.904 |
264 |
2263 |
|
|
29 |
A" |
820 |
757 |
0.923 |
264 |
2264 |
|
|
30 |
A" |
672 |
615 |
0.915 |
264 |
2265 |
|
|
31 |
A" |
411 |
290 |
0.705 |
264 |
2266 |
|
|
32 |
A" |
224 |
153 |
0.682 |
264 |
2267 |
C5H8 |
Cyclopentene |
1 |
A' |
3271 |
3066 |
0.937 |
265 |
2268 |
|
|
2 |
A' |
3152 |
2958 |
0.939 |
265 |
2269 |
|
|
3 |
A' |
3132 |
2916 |
0.931 |
265 |
2270 |
|
|
4 |
A' |
3097 |
2902 |
0.937 |
265 |
2271 |
|
|
5 |
A' |
3044 |
2852 |
0.937 |
265 |
2272 |
|
|
6 |
A' |
1702 |
1616 |
0.949 |
265 |
2273 |
|
|
7 |
A' |
1560 |
1467 |
0.940 |
265 |
2274 |
|
|
8 |
A' |
1534 |
1449 |
0.945 |
265 |
2275 |
|
|
9 |
A' |
1346 |
1302 |
0.967 |
265 |
2276 |
|
|
10 |
A' |
1274 |
1284 |
1.008 |
265 |
2277 |
|
|
11 |
A' |
1172 |
1213 |
1.035 |
265 |
2278 |
|
|
12 |
A' |
1095 |
1048 |
0.957 |
265 |
2279 |
|
|
13 |
A' |
978 |
964 |
0.985 |
265 |
2280 |
|
|
14 |
A' |
909 |
962 |
1.058 |
265 |
2281 |
|
|
15 |
A' |
835 |
904 |
1.082 |
265 |
2282 |
|
|
16 |
A' |
752 |
692 |
0.920 |
265 |
2283 |
|
|
17 |
A' |
628 |
603 |
0.961 |
265 |
2284 |
|
|
18 |
A' |
136 |
254 |
1.864 |
265 |
2285 |
|
|
19 |
A" |
3244 |
3039 |
0.937 |
265 |
2286 |
|
|
20 |
A" |
3133 |
2967 |
0.947 |
265 |
2287 |
|
|
21 |
A" |
3045 |
2927 |
0.961 |
265 |
2288 |
|
|
22 |
A" |
1547 |
1467 |
0.948 |
265 |
2289 |
|
|
23 |
A" |
1407 |
1432 |
1.018 |
265 |
2290 |
|
|
24 |
A" |
1370 |
1356 |
0.989 |
265 |
2291 |
|
|
25 |
A" |
1344 |
1302 |
0.968 |
265 |
2292 |
|
|
26 |
A" |
1248 |
1297 |
1.039 |
265 |
2293 |
|
|
27 |
A" |
1208 |
1207 |
0.999 |
265 |
2294 |
|
|
28 |
A" |
1053 |
1113 |
1.057 |
265 |
2295 |
|
|
29 |
A" |
1030 |
1082 |
1.051 |
265 |
2296 |
|
|
30 |
A" |
931 |
937 |
1.007 |
265 |
2297 |
|
|
31 |
A" |
902 |
800 |
0.886 |
265 |
2298 |
|
|
32 |
A" |
801 |
702 |
0.876 |
265 |
2299 |
|
|
33 |
A" |
395 |
387 |
0.980 |
265 |
2300 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3193 |
2987 |
0.935 |
266 |
2301 |
|
|
2 |
A1 |
3165 |
2941 |
0.929 |
266 |
2302 |
|
|
3 |
A1 |
3090 |
2916 |
0.944 |
266 |
2303 |
|
|
4 |
A1 |
2126 |
1996 |
0.939 |
266 |
2304 |
|
|
5 |
A1 |
1580 |
1470 |
0.930 |
266 |
2305 |
|
|
6 |
A1 |
1535 |
1438 |
0.937 |
266 |
2306 |
|
|
7 |
A1 |
1472 |
1369 |
0.930 |
266 |
2307 |
|
|
8 |
A1 |
1361 |
1286 |
0.945 |
266 |
2308 |
|
|
9 |
A1 |
1067 |
973 |
0.912 |
266 |
2309 |
|
|
10 |
A1 |
740 |
726 |
0.981 |
266 |
2310 |
|
|
11 |
A1 |
349 |
349 |
1.000 |
266 |
2311 |
|
|
12 |
A2 |
3142 |
2941 |
0.936 |
266 |
2312 |
|
|
13 |
A2 |
1555 |
1470 |
0.945 |
266 |
2313 |
|
|
14 |
A2 |
1053 |
985 |
0.935 |
266 |
2314 |
|
|
15 |
A2 |
650 |
617 |
0.950 |
266 |
2315 |
|
|
17 |
B1 |
3238 |
3051 |
0.942 |
266 |
2316 |
|
|
18 |
B1 |
3144 |
2941 |
0.935 |
266 |
2317 |
|
|
19 |
B1 |
1572 |
1470 |
0.935 |
266 |
2318 |
|
|
20 |
B1 |
1151 |
1068 |
0.928 |
266 |
2319 |
|
|
21 |
B1 |
1084 |
1004 |
0.926 |
266 |
2320 |
|
|
22 |
B1 |
464 |
443 |
0.954 |
266 |
2321 |
|
|
23 |
B1 |
290 |
187 |
0.644 |
266 |
2322 |
|
|
25 |
B2 |
3193 |
2941 |
0.921 |
266 |
2323 |
|
|
26 |
B2 |
3088 |
2916 |
0.944 |
266 |
2324 |
|
|
27 |
B2 |
1557 |
1470 |
0.944 |
266 |
2325 |
|
|
28 |
B2 |
1455 |
1369 |
0.941 |
266 |
2326 |
|
|
29 |
B2 |
1223 |
1191 |
0.974 |
266 |
2327 |
|
|
30 |
B2 |
1009 |
968 |
0.959 |
266 |
2328 |
|
|
31 |
B2 |
969 |
848 |
0.875 |
266 |
2329 |
|
|
32 |
B2 |
624 |
554 |
0.888 |
266 |
2330 |
|
|
33 |
B2 |
188 |
187 |
0.993 |
266 |
2331 |
C5H8 |
1,3-Pentadiene, (E)- |
1 |
A' |
3252 |
3090 |
0.950 |
267 |
2332 |
|
|
2 |
A' |
3176 |
3015 |
0.949 |
267 |
2333 |
|
|
3 |
A' |
3167 |
3015 |
0.952 |
267 |
2334 |
|
|
4 |
A' |
3164 |
3015 |
0.953 |
267 |
2335 |
|
|
5 |
A' |
3155 |
3015 |
0.956 |
267 |
2336 |
|
|
6 |
A' |
3132 |
2940 |
0.939 |
267 |
2337 |
|
|
7 |
A' |
3032 |
2919 |
0.963 |
267 |
2338 |
|
|
8 |
A' |
1754 |
1661 |
0.947 |
267 |
2339 |
|
|
9 |
A' |
1705 |
1610 |
0.944 |
267 |
2340 |
|
|
10 |
A' |
1555 |
1433 |
0.922 |
267 |
2341 |
|
|
11 |
A' |
1504 |
1422 |
0.945 |
267 |
2342 |
|
|
12 |
A' |
1468 |
1385 |
0.944 |
267 |
2343 |
|
|
13 |
A' |
1384 |
1316 |
0.951 |
267 |
2344 |
|
|
14 |
A' |
1365 |
1299 |
0.952 |
267 |
2345 |
|
|
15 |
A' |
1347 |
1280 |
0.951 |
267 |
2346 |
|
|
16 |
A' |
1231 |
1166 |
0.947 |
267 |
2347 |
|
|
17 |
A' |
1114 |
1037 |
0.931 |
267 |
2348 |
|
|
18 |
A' |
1015 |
985 |
0.971 |
267 |
2349 |
|
|
19 |
A' |
932 |
862 |
0.925 |
267 |
2350 |
|
|
20 |
A' |
499 |
483 |
0.968 |
267 |
2351 |
|
|
21 |
A' |
471 |
418 |
0.888 |
267 |
2352 |
|
|
22 |
A' |
203 |
212 |
1.045 |
267 |
2353 |
|
|
23 |
A" |
3081 |
2971 |
0.964 |
267 |
2354 |
|
|
24 |
A" |
1547 |
1453 |
0.939 |
267 |
2355 |
|
|
25 |
A" |
1115 |
1017 |
0.912 |
267 |
2356 |
|
|
26 |
A" |
1086 |
1002 |
0.923 |
267 |
2357 |
|
|
27 |
A" |
1035 |
912 |
0.881 |
267 |
2358 |
|
|
28 |
A" |
1001 |
899 |
0.898 |
267 |
2359 |
|
|
29 |
A" |
894 |
820 |
0.917 |
267 |
2360 |
|
|
30 |
A" |
673 |
615 |
0.914 |
267 |
2361 |
|
|
33 |
A" |
119 |
129 |
1.081 |
267 |
2362 |
C5H8 |
Spiropentane |
1 |
A1 |
3157 |
3000 |
0.950 |
268 |
2363 |
|
|
2 |
A1 |
1535 |
1423 |
0.927 |
268 |
2364 |
|
|
3 |
A1 |
1110 |
1160 |
1.045 |
268 |
2365 |
|
|
4 |
A1 |
1046 |
1037 |
0.991 |
268 |
2366 |
|
|
5 |
A1 |
594 |
588 |
0.990 |
268 |
2367 |
|
|
6 |
A2 |
3236 |
3070 |
0.949 |
268 |
2368 |
|
|
7 |
A2 |
1181 |
1174 |
0.994 |
268 |
2369 |
|
|
8 |
A2 |
868 |
919 |
1.059 |
268 |
2370 |
|
|
9 |
B1 |
3235 |
3066 |
0.948 |
268 |
2371 |
|
|
10 |
B1 |
1193 |
1166 |
0.977 |
268 |
2372 |
|
|
11 |
B1 |
1050 |
888 |
0.846 |
268 |
2373 |
|
|
12 |
B1 |
299 |
300 |
1.005 |
268 |
2374 |
|
|
13 |
B2 |
3158 |
3000 |
0.950 |
268 |
2375 |
|
|
14 |
B2 |
1571 |
1521 |
0.968 |
268 |
2376 |
|
|
15 |
B2 |
1476 |
1415 |
0.959 |
268 |
2377 |
|
|
16 |
B2 |
1056 |
990 |
0.938 |
268 |
2378 |
|
|
17 |
B2 |
894 |
872 |
0.975 |
268 |
2379 |
|
|
18 |
E |
3249 |
3067 |
0.944 |
268 |
2380 |
|
|
19 |
E |
3153 |
2985 |
0.947 |
268 |
2381 |
|
|
20 |
E |
1509 |
1431 |
0.948 |
268 |
2382 |
|
|
21 |
E |
1216 |
1150 |
0.945 |
268 |
2383 |
|
|
22 |
E |
1123 |
1049 |
0.934 |
268 |
2384 |
|
|
23 |
E |
898 |
870 |
0.968 |
268 |
2385 |
|
|
24 |
E |
797 |
780 |
0.979 |
268 |
2386 |
|
|
25 |
E |
282 |
308 |
1.093 |
268 |
2387 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3068 |
2953 |
0.963 |
269 |
2388 |
|
|
2 |
A1 |
2985 |
2775 |
0.930 |
269 |
2389 |
|
|
3 |
A1 |
1568 |
1459 |
0.930 |
269 |
2390 |
|
|
4 |
A1 |
1526 |
1444 |
0.946 |
269 |
2391 |
|
|
5 |
A1 |
1224 |
1186 |
0.969 |
269 |
2392 |
|
|
6 |
A1 |
821 |
828 |
1.009 |
269 |
2393 |
|
|
7 |
A1 |
345 |
367 |
1.064 |
269 |
2394 |
|
|
8 |
A2 |
3102 |
2977 |
0.960 |
269 |
2395 |
|
|
9 |
A2 |
1560 |
1453 |
0.931 |
269 |
2396 |
|
|
10 |
A2 |
1086 |
1046 |
0.964 |
269 |
2397 |
|
|
11 |
A2 |
246 |
255 |
1.036 |
269 |
2398 |
|
|
12 |
E |
3107 |
2981 |
0.959 |
269 |
2399 |
|
|
13 |
E |
3065 |
2953 |
0.963 |
269 |
2400 |
|
|
14 |
E |
2976 |
2776 |
0.933 |
269 |
2401 |
|
|
15 |
E |
1580 |
1471 |
0.931 |
269 |
2402 |
|
|
16 |
E |
1545 |
1444 |
0.934 |
269 |
2403 |
|
|
17 |
E |
1488 |
1409 |
0.947 |
269 |
2404 |
|
|
18 |
E |
1319 |
1275 |
0.967 |
269 |
2405 |
|
|
19 |
E |
1151 |
1103 |
0.959 |
269 |
2406 |
|
|
20 |
E |
1072 |
1043 |
0.973 |
269 |
2407 |
|
|
21 |
E |
426 |
424 |
0.994 |
269 |
2408 |
|
|
22 |
E |
251 |
281 |
1.118 |
269 |
2409 |
CH3COCH2CH3 |
2-Butanone |
1 |
A' |
3141 |
2983 |
0.950 |
270 |
2410 |
|
|
2 |
A' |
3137 |
2983 |
0.951 |
270 |
2411 |
|
|
3 |
A' |
3048 |
2910 |
0.955 |
270 |
2412 |
|
|
4 |
A' |
3044 |
2910 |
0.956 |
270 |
2413 |
|
|
5 |
A' |
3027 |
2884 |
0.953 |
270 |
2414 |
|
|
6 |
A' |
1801 |
1716 |
0.953 |
270 |
2415 |
|
|
7 |
A' |
1555 |
1460 |
0.939 |
270 |
2416 |
|
|
8 |
A' |
1518 |
1422 |
0.937 |
270 |
2417 |
|
|
9 |
A' |
1504 |
1413 |
0.940 |
270 |
2418 |
|
|
10 |
A' |
1465 |
1373 |
0.937 |
270 |
2419 |
|
|
11 |
A' |
1433 |
1346 |
0.939 |
270 |
2420 |
|
|
12 |
A' |
1377 |
1263 |
0.917 |
270 |
2421 |
|
|
13 |
A' |
1206 |
1182 |
0.980 |
270 |
2422 |
|
|
14 |
A' |
1128 |
1089 |
0.966 |
270 |
2423 |
|
|
15 |
A' |
1018 |
997 |
0.979 |
270 |
2424 |
|
|
16 |
A' |
961 |
939 |
0.977 |
270 |
2425 |
|
|
17 |
A' |
769 |
760 |
0.988 |
270 |
2426 |
|
|
18 |
A' |
593 |
590 |
0.995 |
270 |
2427 |
|
|
19 |
A' |
412 |
413 |
1.002 |
270 |
2428 |
|
|
20 |
A' |
264 |
260 |
0.984 |
270 |
2429 |
|
|
21 |
A" |
3111 |
2983 |
0.959 |
270 |
2430 |
|
|
22 |
A" |
3108 |
2983 |
0.960 |
270 |
2431 |
|
|
23 |
A" |
3059 |
2941 |
0.961 |
270 |
2432 |
|
|
24 |
A" |
1555 |
1460 |
0.939 |
270 |
2433 |
|
|
25 |
A" |
1535 |
1413 |
0.920 |
270 |
2434 |
|
|
26 |
A" |
1314 |
1263 |
0.961 |
270 |
2435 |
|
|
27 |
A" |
1163 |
1108 |
0.953 |
270 |
2436 |
|
|
28 |
A" |
990 |
952 |
0.961 |
270 |
2437 |
|
|
29 |
A" |
774 |
768 |
0.992 |
270 |
2438 |
|
|
30 |
A" |
485 |
460 |
0.949 |
270 |
2439 |
|
|
31 |
A" |
128 |
201 |
1.566 |
270 |
2440 |
|
|
32 |
A" |
69i |
106 |
-1.544 |
270 |
2441 |
|
|
33 |
A" |
126i |
87 |
-0.692 |
270 |
2442 |
C4H8O |
Cyclobutanol |
1 |
A' |
3519 |
3656 |
1.039 |
271 |
2443 |
|
|
2 |
A' |
3176 |
2993 |
0.942 |
271 |
2444 |
|
|
3 |
A' |
3158 |
2979 |
0.943 |
271 |
2445 |
|
|
4 |
A' |
3100 |
2968 |
0.957 |
271 |
2446 |
|
|
5 |
A' |
3097 |
2943 |
0.950 |
271 |
2447 |
|
|
6 |
A' |
3094 |
2875 |
0.929 |
271 |
2448 |
|
|
7 |
A' |
1555 |
1469 |
0.945 |
271 |
2449 |
|
|
8 |
A' |
1535 |
1450 |
0.945 |
271 |
2450 |
|
|
9 |
A' |
1422 |
1393 |
0.979 |
271 |
2451 |
|
|
10 |
A' |
1377 |
1278 |
0.928 |
271 |
2452 |
|
|
11 |
A' |
1272 |
1241 |
0.975 |
271 |
2453 |
|
|
12 |
A' |
1243 |
1120 |
0.901 |
271 |
2454 |
|
|
13 |
A' |
1147 |
1097 |
0.956 |
271 |
2455 |
|
|
14 |
A' |
1085 |
1071 |
0.987 |
271 |
2456 |
|
|
15 |
A' |
973 |
963 |
0.990 |
271 |
2457 |
|
|
16 |
A' |
908 |
825 |
0.909 |
271 |
2458 |
|
|
17 |
A' |
757 |
750 |
0.991 |
271 |
2459 |
|
|
18 |
A' |
614 |
602 |
0.980 |
271 |
2460 |
|
|
19 |
A' |
438 |
457 |
1.044 |
271 |
2461 |
|
|
20 |
A' |
179 |
170 |
0.950 |
271 |
2462 |
|
|
21 |
A" |
3160 |
2979 |
0.943 |
271 |
2463 |
|
|
22 |
A" |
3094 |
2964 |
0.958 |
271 |
2464 |
|
|
23 |
A" |
1520 |
1438 |
0.946 |
271 |
2465 |
|
|
24 |
A" |
1316 |
1211 |
0.920 |
271 |
2466 |
|
|
25 |
A" |
1285 |
1199 |
0.933 |
271 |
2467 |
|
|
26 |
A" |
1274 |
1160 |
0.911 |
271 |
2468 |
|
|
27 |
A" |
1201 |
1029 |
0.856 |
271 |
2469 |
|
|
28 |
A" |
1046 |
958 |
0.916 |
271 |
2470 |
|
|
29 |
A" |
946 |
927 |
0.980 |
271 |
2471 |
|
|
30 |
A" |
910 |
902 |
0.991 |
271 |
2472 |
|
|
31 |
A" |
792 |
781 |
0.986 |
271 |
2473 |
|
|
32 |
A" |
444 |
380 |
0.856 |
271 |
2474 |
|
|
33 |
A" |
348 |
243 |
0.698 |
271 |
2475 |
CH3CH(CH3)CH3 |
Isobutane |
1 |
A1 |
3118 |
2965 |
0.951 |
272 |
2476 |
|
|
2 |
A1 |
3046 |
2904 |
0.953 |
272 |
2477 |
|
|
3 |
A1 |
3030 |
2880 |
0.951 |
272 |
2478 |
|
|
4 |
A1 |
1577 |
1477 |
0.937 |
272 |
2479 |
|
|
5 |
A1 |
1482 |
1394 |
0.941 |
272 |
2480 |
|
|
6 |
A1 |
1249 |
1177 |
0.942 |
272 |
2481 |
|
|
7 |
A1 |
812 |
797 |
0.981 |
272 |
2482 |
|
|
8 |
A1 |
444 |
426 |
0.960 |
272 |
2483 |
|
|
9 |
A2 |
3130 |
|
|
272 |
2484 |
|
|
10 |
A2 |
1546 |
|
|
272 |
2485 |
|
|
11 |
A2 |
1001 |
|
|
272 |
2486 |
|
|
12 |
A2 |
209 |
198 |
0.948 |
272 |
2487 |
|
|
13 |
E |
3134 |
2962 |
0.945 |
272 |
2488 |
|
|
14 |
E |
3108 |
2951 |
0.949 |
272 |
2489 |
|
|
15 |
E |
3037 |
2887 |
0.951 |
272 |
2490 |
|
|
16 |
E |
1571 |
1468 |
0.934 |
272 |
2491 |
|
|
17 |
E |
1552 |
1459 |
0.940 |
272 |
2492 |
|
|
18 |
E |
1454 |
1371 |
0.943 |
272 |
2493 |
|
|
19 |
E |
1389 |
1330 |
0.958 |
272 |
2494 |
|
|
20 |
E |
1224 |
1166 |
0.953 |
272 |
2495 |
|
|
21 |
E |
999 |
961 |
0.962 |
272 |
2496 |
|
|
22 |
E |
960 |
918 |
0.956 |
272 |
2497 |
|
|
23 |
E |
375 |
367 |
0.979 |
272 |
2498 |
|
|
24 |
E |
261 |
280 |
1.072 |
272 |
2499 |
CH3CH2CH2CH3 |
Butane |
1 |
Ag |
3179 |
2965 |
0.933 |
273 |
2500 |
|
|
2 |
Ag |
3103 |
2872 |
0.925 |
273 |
2501 |
|
|
3 |
Ag |
3097 |
2853 |
0.921 |
273 |
2502 |
|
|
4 |
Ag |
1580 |
1460 |
0.924 |
273 |
2503 |
|
|
5 |
Ag |
1560 |
1442 |
0.924 |
273 |
2504 |
|
|
6 |
Ag |
1478 |
1382 |
0.935 |
273 |
2505 |
|
|
7 |
Ag |
1428 |
1361 |
0.953 |
273 |
2506 |
|
|
8 |
Ag |
1207 |
1151 |
0.953 |
273 |
2507 |
|
|
9 |
Ag |
1076 |
1059 |
0.984 |
273 |
2508 |
|
|
10 |
Ag |
866 |
837 |
0.967 |
273 |
2509 |
|
|
11 |
Ag |
442 |
425 |
0.961 |
273 |
2510 |
|
|
12 |
Au |
3175 |
2968 |
0.935 |
273 |
2511 |
|
|
13 |
Au |
3144 |
2930 |
0.932 |
273 |
2512 |
|
|
14 |
Au |
1582 |
1461 |
0.924 |
273 |
2513 |
|
|
15 |
Au |
1346 |
1257 |
0.934 |
273 |
2514 |
|
|
16 |
Au |
1029 |
948 |
0.921 |
273 |
2515 |
|
|
17 |
Au |
781 |
731 |
0.936 |
273 |
2516 |
|
|
18 |
Au |
299 |
194 |
0.648 |
273 |
2517 |
|
|
19 |
Au |
151 |
102 |
0.674 |
273 |
2518 |
|
|
20 |
Bg |
3168 |
2965 |
0.936 |
273 |
2519 |
|
|
21 |
Bg |
3124 |
2912 |
0.932 |
273 |
2520 |
|
|
22 |
Bg |
1580 |
1460 |
0.924 |
273 |
2521 |
|
|
23 |
Bg |
1388 |
1300 |
0.937 |
273 |
2522 |
|
|
24 |
Bg |
1252 |
1180 |
0.942 |
273 |
2523 |
|
|
25 |
Bg |
866 |
803 |
0.927 |
273 |
2524 |
|
|
26 |
Bg |
320 |
225 |
0.704 |
273 |
2525 |
|
|
27 |
Bu |
3180 |
2968 |
0.933 |
273 |
2526 |
|
|
28 |
Bu |
3109 |
2870 |
0.923 |
273 |
2527 |
|
|
29 |
Bu |
3101 |
2853 |
0.920 |
273 |
2528 |
|
|
30 |
Bu |
1583 |
1461 |
0.923 |
273 |
2529 |
|
|
31 |
Bu |
1565 |
1461 |
0.933 |
273 |
2530 |
|
|
32 |
Bu |
1477 |
1379 |
0.934 |
273 |
2531 |
|
|
33 |
Bu |
1382 |
1290 |
0.933 |
273 |
2532 |
|
|
34 |
Bu |
1053 |
1009 |
0.958 |
273 |
2533 |
|
|
35 |
Bu |
1009 |
964 |
0.955 |
273 |
2534 |
|
|
36 |
Bu |
280 |
271 |
0.969 |
273 |
2535 |
C4H9N |
Pyrrolidine |
1 |
A' |
3481 |
3356 |
0.964 |
274 |
2536 |
|
|
2 |
A' |
3145 |
2975 |
0.946 |
274 |
2537 |
|
|
3 |
A' |
3117 |
2927 |
0.939 |
274 |
2538 |
|
|
4 |
A' |
3088 |
2889 |
0.936 |
274 |
2539 |
|
|
5 |
A' |
2975 |
2824 |
0.949 |
274 |
2540 |
|
|
6 |
A' |
1586 |
1484 |
0.936 |
274 |
2541 |
|
|
7 |
A' |
1553 |
1447 |
0.932 |
274 |
2542 |
|
|
8 |
A' |
1420 |
1292 |
0.910 |
274 |
2543 |
|
|
9 |
A' |
1345 |
1273 |
0.947 |
274 |
2544 |
|
|
10 |
A' |
1252 |
1228 |
0.981 |
274 |
2545 |
|
|
11 |
A' |
1248 |
1181 |
0.946 |
274 |
2546 |
|
|
12 |
A' |
1081 |
974 |
0.901 |
274 |
2547 |
|
|
13 |
A' |
1025 |
920 |
0.898 |
274 |
2548 |
|
|
14 |
A' |
950 |
901 |
0.948 |
274 |
2549 |
|
|
15 |
A' |
899 |
871 |
0.969 |
274 |
2550 |
|
|
16 |
A' |
839 |
832 |
0.992 |
274 |
2551 |
|
|
17 |
A' |
734 |
789 |
1.075 |
274 |
2552 |
|
|
18 |
A' |
554 |
579 |
1.045 |
274 |
2553 |
|
|
19 |
A' |
288 |
299 |
1.038 |
274 |
2554 |
|
|
20 |
A" |
3126 |
2967 |
0.949 |
274 |
2555 |
|
|
21 |
A" |
3111 |
2916 |
0.937 |
274 |
2556 |
|
|
22 |
A" |
3079 |
2879 |
0.935 |
274 |
2557 |
|
|
23 |
A" |
2973 |
2818 |
0.948 |
274 |
2558 |
|
|
24 |
A" |
1567 |
1459 |
0.931 |
274 |
2559 |
|
|
25 |
A" |
1532 |
1412 |
0.922 |
274 |
2560 |
|
|
26 |
A" |
1461 |
1341 |
0.918 |
274 |
2561 |
|
|
27 |
A" |
1361 |
1268 |
0.932 |
274 |
2562 |
|
|
28 |
A" |
1339 |
1211 |
0.904 |
274 |
2563 |
|
|
29 |
A" |
1278 |
1203 |
0.941 |
274 |
2564 |
|
|
30 |
A" |
1217 |
1171 |
0.963 |
274 |
2565 |
|
|
31 |
A" |
1140 |
1099 |
0.964 |
274 |
2566 |
|
|
32 |
A" |
1125 |
1023 |
0.910 |
274 |
2567 |
|
|
33 |
A" |
932 |
883 |
0.947 |
274 |
2568 |
|
|
34 |
A" |
891 |
848 |
0.952 |
274 |
2569 |
|
|
35 |
A" |
647 |
600 |
0.927 |
274 |
2570 |
|
|
36 |
A" |
43i |
65 |
-1.522 |
274 |
2571 |
C6H5CHO |
benzaldehyde |
1 |
A' |
3265 |
3099 |
0.949 |
275 |
2572 |
|
|
2 |
A' |
3256 |
3081 |
0.946 |
275 |
2573 |
|
|
3 |
A' |
3246 |
3081 |
0.949 |
275 |
2574 |
|
|
4 |
A' |
3235 |
3043 |
0.941 |
275 |
2575 |
|
|
5 |
A' |
3223 |
3034 |
0.941 |
275 |
2576 |
|
|
6 |
A' |
2999 |
2806 |
0.936 |
275 |
2577 |
|
|
7 |
A' |
1773 |
1728 |
0.975 |
275 |
2578 |
|
|
8 |
A' |
1663 |
1614 |
0.971 |
275 |
2579 |
|
|
9 |
A' |
1645 |
1603 |
0.974 |
275 |
2580 |
|
|
10 |
A' |
1552 |
1492 |
0.961 |
275 |
2581 |
|
|
11 |
A' |
1521 |
1460 |
0.960 |
275 |
2582 |
|
|
12 |
A' |
1447 |
1387 |
0.958 |
275 |
2583 |
|
|
13 |
A' |
1378 |
1314 |
0.953 |
275 |
2584 |
|
|
14 |
A' |
1318 |
1276 |
0.968 |
275 |
2585 |
|
|
15 |
A' |
1255 |
1202 |
0.958 |
275 |
2586 |
|
|
16 |
A' |
1228 |
1168 |
0.951 |
275 |
2587 |
|
|
17 |
A' |
1223 |
1158 |
0.947 |
275 |
2588 |
|
|
18 |
A' |
1123 |
1074 |
0.956 |
275 |
2589 |
|
|
19 |
A' |
1066 |
1026 |
0.962 |
275 |
2590 |
|
|
20 |
A' |
1045 |
996 |
0.953 |
275 |
2591 |
|
|
21 |
A' |
855 |
825 |
0.965 |
275 |
2592 |
|
|
22 |
A' |
680 |
649 |
0.955 |
275 |
2593 |
|
|
23 |
A' |
658 |
617 |
0.938 |
275 |
2594 |
|
|
24 |
A' |
454 |
437 |
0.963 |
275 |
2595 |
|
|
25 |
A' |
224 |
224 |
1.000 |
275 |
2596 |
|
|
26 |
A" |
1097 |
1003 |
0.915 |
275 |
2597 |
|
|
27 |
A" |
1074 |
996 |
0.927 |
275 |
2598 |
|
|
28 |
A" |
1053 |
978 |
0.928 |
275 |
2599 |
|
|
29 |
A" |
986 |
918 |
0.931 |
275 |
2600 |
|
|
30 |
A" |
905 |
852 |
0.942 |
275 |
2601 |
|
|
31 |
A" |
796 |
740 |
0.930 |
275 |
2602 |
|
|
32 |
A" |
742 |
688 |
0.928 |
275 |
2603 |
|
|
33 |
A" |
487 |
450 |
0.924 |
275 |
2604 |
|
|
34 |
A" |
434 |
400 |
0.922 |
275 |
2605 |
|
|
35 |
A" |
259 |
217 |
0.837 |
275 |
2606 |
|
|
36 |
A" |
142 |
111 |
0.781 |
275 |
2607 |
C5H10 |
2-Butene, 2-methyl- |
1 |
A' |
3163 |
3024 |
0.956 |
276 |
2608 |
|
|
2 |
A' |
3146 |
2972 |
0.945 |
276 |
2609 |
|
|
3 |
A' |
3128 |
2972 |
0.950 |
276 |
2610 |
|
|
4 |
A' |
3126 |
2972 |
0.951 |
276 |
2611 |
|
|
5 |
A' |
3053 |
2931 |
0.960 |
276 |
2612 |
|
|
6 |
A' |
3036 |
2908 |
0.958 |
276 |
2613 |
|
|
7 |
A' |
3033 |
2908 |
0.959 |
276 |
2614 |
|
|
8 |
A' |
1798 |
1681 |
0.935 |
276 |
2615 |
|
|
9 |
A' |
1567 |
1471 |
0.939 |
276 |
2616 |
|
|
10 |
A' |
1564 |
1453 |
0.929 |
276 |
2617 |
|
|
11 |
A' |
1550 |
1453 |
0.938 |
276 |
2618 |
|
|
25 |
A" |
3111 |
2972 |
0.955 |
276 |
2619 |
|
|
26 |
A" |
3085 |
2972 |
0.963 |
276 |
2620 |
|
|
27 |
A" |
3081 |
2972 |
0.965 |
276 |
2621 |
|
|
28 |
A" |
1557 |
1471 |
0.944 |
276 |
2622 |
|
|
29 |
A" |
1552 |
1471 |
0.948 |
276 |
2623 |
|
|
30 |
A" |
1538 |
1453 |
0.945 |
276 |
2624 |
C2H5SC2H5 |
Diethyl sulfide |
1 |
A1 |
3142 |
2967 |
0.944 |
277 |
2625 |
|
|
2 |
A1 |
3080 |
2874 |
0.933 |
277 |
2626 |
|
|
3 |
A1 |
3073 |
2853 |
0.929 |
277 |
2627 |
|
|
4 |
A1 |
1573 |
1450 |
0.922 |
277 |
2628 |
|
|
5 |
A1 |
1551 |
1427 |
0.920 |
277 |
2629 |
|
|
6 |
A1 |
1466 |
1380 |
0.942 |
277 |
2630 |
|
|
7 |
A1 |
1360 |
1270 |
0.934 |
277 |
2631 |
|
|
8 |
A1 |
1127 |
1047 |
0.929 |
277 |
2632 |
|
|
9 |
A1 |
1007 |
974 |
0.967 |
277 |
2633 |
|
|
10 |
A1 |
728 |
657 |
0.903 |
277 |
2634 |
|
|
11 |
A1 |
342 |
334 |
0.977 |
277 |
2635 |
|
|
12 |
A1 |
139 |
|
|
277 |
2636 |
|
|
13 |
A2 |
3161 |
2967 |
0.939 |
277 |
2637 |
|
|
14 |
A2 |
3126 |
2930 |
0.937 |
277 |
2638 |
|
|
15 |
A2 |
1565 |
|
|
277 |
2639 |
|
|
16 |
A2 |
1306 |
|
|
277 |
2640 |
|
|
17 |
A2 |
1080 |
|
|
277 |
2641 |
|
|
18 |
A2 |
818 |
|
|
277 |
2642 |
|
|
19 |
A2 |
260 |
|
|
277 |
2643 |
|
|
20 |
A2 |
98 |
|
|
277 |
2644 |
|
|
21 |
B1 |
3160 |
2967 |
0.939 |
277 |
2645 |
|
|
22 |
B1 |
3123 |
2930 |
0.938 |
277 |
2646 |
|
|
23 |
B1 |
1564 |
1450 |
0.927 |
277 |
2647 |
|
|
24 |
B1 |
1311 |
1242 |
0.947 |
277 |
2648 |
|
|
25 |
B1 |
1097 |
|
|
277 |
2649 |
|
|
26 |
B1 |
838 |
780 |
0.931 |
277 |
2650 |
|
|
27 |
B1 |
257 |
|
|
277 |
2651 |
|
|
28 |
B1 |
51 |
|
|
277 |
2652 |
|
|
29 |
B2 |
3142 |
2967 |
0.944 |
277 |
2653 |
|
|
30 |
B2 |
3081 |
2874 |
0.933 |
277 |
2654 |
|
|
31 |
B2 |
3073 |
2853 |
0.929 |
277 |
2655 |
|
|
32 |
B2 |
1573 |
1450 |
0.922 |
277 |
2656 |
|
|
33 |
B2 |
1543 |
1427 |
0.925 |
277 |
2657 |
|
|
34 |
B2 |
1465 |
1380 |
0.942 |
277 |
2658 |
|
|
35 |
B2 |
1323 |
1259 |
0.952 |
277 |
2659 |
|
|
36 |
B2 |
1079 |
1017 |
0.943 |
277 |
2660 |
|
|
37 |
B2 |
1000 |
974 |
0.974 |
277 |
2661 |
|
|
38 |
B2 |
726 |
693 |
0.954 |
277 |
2662 |
|
|
39 |
B2 |
351 |
345 |
0.982 |
277 |
2663 |
C8H8 |
cubane |
1 |
A1g |
3221 |
2995 |
0.930 |
278 |
2664 |
|
|
2 |
A1g |
1029 |
1002 |
0.974 |
278 |
2665 |
|
|
3 |
A2u |
3183 |
2978 |
0.936 |
278 |
2666 |
|
|
4 |
A2u |
1101 |
839 |
0.762 |
278 |
2667 |
|
|
5 |
Eg |
1148 |
1083 |
0.943 |
278 |
2668 |
|
|
6 |
Eg |
952 |
912 |
0.958 |
278 |
2669 |
|
|
7 |
Eu |
1253 |
1151 |
0.919 |
278 |
2670 |
|
|
8 |
Eu |
655 |
617 |
0.941 |
278 |
2671 |
|
|
9 |
T1g |
1211 |
1130 |
0.933 |
278 |
2672 |
|
|
10 |
T1u |
3200 |
2978 |
0.931 |
278 |
2673 |
|
|
11 |
T1u |
1281 |
1230 |
0.960 |
278 |
2674 |
|
|
12 |
T1u |
895 |
853 |
0.953 |
278 |
2675 |
|
|
13 |
T2g |
3191 |
2970 |
0.931 |
278 |
2676 |
|
|
14 |
T2g |
1252 |
1182 |
0.944 |
278 |
2677 |
|
|
15 |
T2g |
866 |
821 |
0.949 |
278 |
2678 |
|
|
16 |
T2g |
726 |
665 |
0.916 |
278 |
2679 |
|
|
17 |
T2u |
1112 |
1036 |
0.932 |
278 |
2680 |
|
|
18 |
T2u |
876 |
829 |
0.946 |
278 |
2681 |
C5H10S |
2H-Thiopyran, tetrahydro- |
1 |
A' |
3118 |
2948 |
0.945 |
279 |
2682 |
|
|
2 |
A' |
3106 |
2929 |
0.943 |
279 |
2683 |
|
|
3 |
A' |
3083 |
2929 |
0.950 |
279 |
2684 |
|
|
4 |
A' |
3052 |
2904 |
0.951 |
279 |
2685 |
|
|
5 |
A' |
3047 |
2878 |
0.945 |
279 |
2686 |
|
|
6 |
A' |
3038 |
2849 |
0.938 |
279 |
2687 |
|
|
7 |
A' |
1547 |
1451 |
0.938 |
279 |
2688 |
|
|
8 |
A' |
1535 |
1440 |
0.938 |
279 |
2689 |
|
|
9 |
A' |
1518 |
1426 |
0.939 |
279 |
2690 |
|
|
10 |
A' |
1409 |
1348 |
0.956 |
279 |
2691 |
|
|
11 |
A' |
1377 |
1299 |
0.943 |
279 |
2692 |
|
|
12 |
A' |
1301 |
1237 |
0.950 |
279 |
2693 |
|
|
13 |
A' |
1280 |
1215 |
0.949 |
279 |
2694 |
|
|
14 |
A' |
1104 |
1061 |
0.961 |
279 |
2695 |
|
|
15 |
A' |
1044 |
965 |
0.924 |
279 |
2696 |
|
|
16 |
A' |
1000 |
897 |
0.897 |
279 |
2697 |
|
|
17 |
A' |
857 |
826 |
0.964 |
279 |
2698 |
|
|
18 |
A' |
828 |
813 |
0.982 |
279 |
2699 |
|
|
19 |
A' |
676 |
656 |
0.970 |
279 |
2700 |
|
|
20 |
A' |
509 |
504 |
0.991 |
279 |
2701 |
|
|
21 |
A' |
368 |
359 |
0.976 |
279 |
2702 |
|
|
22 |
A' |
346 |
344 |
0.995 |
279 |
2703 |
|
|
23 |
A' |
179 |
194 |
1.086 |
279 |
2704 |
|
|
24 |
A" |
3116 |
2948 |
0.946 |
279 |
2705 |
|
|
25 |
A" |
3103 |
2929 |
0.944 |
279 |
2706 |
|
|
26 |
A" |
3053 |
2892 |
0.947 |
279 |
2707 |
|
|
27 |
A" |
3042 |
2878 |
0.946 |
279 |
2708 |
|
|
28 |
A" |
1525 |
1433 |
0.940 |
279 |
2709 |
|
|
29 |
A" |
1514 |
1405 |
0.928 |
279 |
2710 |
|
|
30 |
A" |
1413 |
1338 |
0.947 |
279 |
2711 |
|
|
31 |
A" |
1404 |
1313 |
0.935 |
279 |
2712 |
|
|
32 |
A" |
1342 |
1269 |
0.946 |
279 |
2713 |
|
|
33 |
A" |
1328 |
1259 |
0.948 |
279 |
2714 |
|
|
34 |
A" |
1202 |
1141 |
0.949 |
279 |
2715 |
|
|
35 |
A" |
1151 |
1090 |
0.947 |
279 |
2716 |
|
|
36 |
A" |
1100 |
1013 |
0.921 |
279 |
2717 |
|
|
37 |
A" |
952 |
929 |
0.976 |
279 |
2718 |
|
|
38 |
A" |
930 |
905 |
0.973 |
279 |
2719 |
|
|
39 |
A" |
812 |
791 |
0.974 |
279 |
2720 |
|
|
40 |
A" |
702 |
688 |
0.980 |
279 |
2721 |
|
|
41 |
A" |
409 |
398 |
0.972 |
279 |
2722 |
|
|
42 |
A" |
235 |
242 |
1.032 |
279 |
2723 |
C5H12 |
Pentane |
1 |
A1 |
3179 |
2973 |
0.935 |
280 |
2724 |
|
|
2 |
A1 |
3110 |
2892 |
0.930 |
280 |
2725 |
|
|
3 |
A1 |
3105 |
2866 |
0.923 |
280 |
2726 |
|
|
4 |
A1 |
3089 |
2866 |
0.928 |
280 |
2727 |
|
|
5 |
A1 |
1583 |
1480 |
0.935 |
280 |
2728 |
|
|
6 |
A1 |
1571 |
1463 |
0.931 |
280 |
2729 |
|
|
7 |
A1 |
1557 |
1450 |
0.931 |
280 |
2730 |
|
|
8 |
A1 |
1477 |
1379 |
0.933 |
280 |
2731 |
|
|
9 |
A1 |
1418 |
1346 |
0.949 |
280 |
2732 |
|
|
10 |
A1 |
1196 |
1144 |
0.956 |
280 |
2733 |
|
|
11 |
A1 |
1053 |
1036 |
0.984 |
280 |
2734 |
|
|
12 |
A1 |
905 |
867 |
0.958 |
280 |
2735 |
|
|
13 |
A1 |
409 |
401 |
0.981 |
280 |
2736 |
|
|
14 |
A1 |
194 |
179 |
0.921 |
280 |
2737 |
|
|
15 |
A2 |
3173 |
2967 |
0.935 |
280 |
2738 |
|
|
16 |
A2 |
3136 |
2908 |
0.927 |
280 |
2739 |
|
|
17 |
A2 |
1582 |
1462 |
0.924 |
280 |
2740 |
|
|
18 |
A2 |
1387 |
1346 |
0.970 |
280 |
2741 |
|
|
19 |
A2 |
1322 |
1269 |
0.960 |
280 |
2742 |
|
|
20 |
A2 |
1061 |
993 |
0.936 |
280 |
2743 |
|
|
21 |
A2 |
815 |
766 |
0.940 |
280 |
2744 |
|
|
22 |
A2 |
314 |
210 |
0.669 |
280 |
2745 |
|
|
23 |
A2 |
163 |
131 |
0.805 |
280 |
2746 |
|
|
24 |
B1 |
3177 |
2965 |
0.933 |
280 |
2747 |
|
|
25 |
B1 |
3151 |
2930 |
0.930 |
280 |
2748 |
|
|
26 |
B1 |
3117 |
2930 |
0.940 |
280 |
2749 |
|
|
27 |
B1 |
1581 |
1469 |
0.929 |
280 |
2750 |
|
|
28 |
B1 |
1383 |
1303 |
0.942 |
280 |
2751 |
|
|
29 |
B1 |
1249 |
1170 |
0.937 |
280 |
2752 |
|
|
30 |
B1 |
926 |
858 |
0.927 |
280 |
2753 |
|
|
31 |
B1 |
776 |
727 |
0.937 |
280 |
2754 |
|
|
32 |
B1 |
308 |
215 |
0.698 |
280 |
2755 |
|
|
33 |
B1 |
144 |
88 |
0.613 |
280 |
2756 |
|
|
34 |
B2 |
3179 |
2965 |
0.933 |
280 |
2757 |
|
|
35 |
B2 |
3106 |
2879 |
0.927 |
280 |
2758 |
|
|
36 |
B2 |
3103 |
2866 |
0.924 |
280 |
2759 |
|
|
37 |
B2 |
1580 |
1476 |
0.934 |
280 |
2760 |
|
|
38 |
B2 |
1560 |
1456 |
0.933 |
280 |
2761 |
|
|
39 |
B2 |
1479 |
1389 |
0.939 |
280 |
2762 |
|
|
40 |
B2 |
1429 |
1379 |
0.965 |
280 |
2763 |
|
|
41 |
B2 |
1354 |
1269 |
0.937 |
280 |
2764 |
|
|
42 |
B2 |
1107 |
1073 |
0.970 |
280 |
2765 |
|
|
43 |
B2 |
1067 |
1024 |
0.959 |
280 |
2766 |
|
|
44 |
B2 |
945 |
910 |
0.963 |
280 |
2767 |
|
|
45 |
B2 |
419 |
406 |
0.969 |
280 |
2768 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3111 |
2909 |
0.935 |
281 |
2769 |
|
|
2 |
A1 |
1503 |
1381 |
0.919 |
281 |
2770 |
|
|
3 |
A1 |
744 |
733 |
0.985 |
281 |
2771 |
|
|
4 |
A2 |
356 |
198 |
0.556 |
281 |
2772 |
|
|
5 |
E |
3179 |
2955 |
0.930 |
281 |
2773 |
|
|
6 |
E |
1574 |
1451 |
0.922 |
281 |
2774 |
|
|
7 |
E |
1153 |
999 |
0.866 |
281 |
2775 |
|
|
8 |
E |
361 |
335 |
0.928 |
281 |
2776 |
|
|
9 |
T1 |
3178 |
2975 |
0.936 |
281 |
2777 |
|
|
10 |
T1 |
1567 |
1461 |
0.932 |
281 |
2778 |
|
|
11 |
T1 |
1039 |
932 |
0.897 |
281 |
2779 |
|
|
12 |
T1 |
404 |
203 |
0.502 |
281 |
2780 |
|
|
13 |
T2 |
3183 |
2959 |
0.930 |
281 |
2781 |
|
|
14 |
T2 |
3105 |
2876 |
0.926 |
281 |
2782 |
|
|
15 |
T2 |
1601 |
1475 |
0.922 |
281 |
2783 |
|
|
16 |
T2 |
1470 |
1372 |
0.933 |
281 |
2784 |
|
|
17 |
T2 |
1329 |
1256 |
0.945 |
281 |
2785 |
|
|
18 |
T2 |
980 |
925 |
0.944 |
281 |
2786 |
|
|
19 |
T2 |
444 |
418 |
0.942 |
281 |
2787 |