H2 |
Hydrogen diatomic |
1 |
Σg |
4467 |
4161 |
0.931 |
1 |
1 |
BH |
Boron monohydride |
1 |
Σ |
2401 |
2269 |
0.945 |
2 |
2 |
GeH |
germylidene |
1 |
Σ |
1944 |
1760 |
0.905 |
3 |
3 |
SiGe |
Silicon Germanium |
1 |
Σ |
471 |
419 |
0.889 |
4 |
4 |
CN |
Cyano radical |
1 |
Σ |
2083 |
2042 |
0.980 |
5 |
5 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2352 |
2330 |
0.991 |
6 |
6 |
|
|
1 |
Σg |
1759 |
1733 |
0.985 |
6 |
7 |
PH |
phosphorus monohydride |
1 |
Σ |
2381 |
2276 |
0.956 |
7 |
8 |
|
|
1 |
Σ |
2399 |
2319 |
0.967 |
7 |
9 |
GaP |
Gallium monophosphide |
1 |
Σ |
371 |
284 |
0.765 |
8 |
10 |
OH |
Hydroxyl radical |
1 |
Σ |
3754 |
3570 |
0.951 |
9 |
11 |
BO |
boron monoxide |
1 |
Σ |
1880 |
1862 |
0.990 |
10 |
12 |
CO |
Carbon monoxide |
1 |
Σ |
2165 |
2143 |
0.990 |
11 |
13 |
|
|
1 |
Σ |
1749 |
|
|
11 |
14 |
NO |
Nitric oxide |
1 |
Σ |
1906 |
1876 |
0.984 |
12 |
15 |
O2 |
Oxygen diatomic |
1 |
Σg |
1538 |
1556 |
1.012 |
13 |
16 |
|
|
1 |
Σg |
1466 |
|
|
13 |
17 |
PO |
Phosphorus monoxide |
1 |
Σ |
1210 |
1220 |
1.009 |
14 |
18 |
NS |
Mononitrogen monosulfide |
1 |
Σ |
1467 |
1204 |
0.821 |
15 |
19 |
S2 |
Sulfur diatomic |
1 |
Σg |
708 |
720 |
1.018 |
16 |
20 |
CaS |
Calcium sulfide |
1 |
Σ |
459 |
459 |
0.999 |
17 |
21 |
CrH |
Chromium hydride |
1 |
Σ |
1647 |
1534 |
0.932 |
18 |
22 |
GeO |
Germanium monoxide |
1 |
Σ |
970 |
977 |
1.007 |
19 |
23 |
GeS |
Germanium monosulfide |
1 |
Σ |
571 |
576 |
1.008 |
20 |
24 |
NSe |
Nitrogen monoselenide |
1 |
Σ |
1228 |
946 |
0.770 |
21 |
25 |
SiSe |
Silicon Monoselenide |
1 |
Σ |
572 |
|
|
22 |
26 |
AsSe |
Arsenic monoselenide |
1 |
Σ |
521 |
280 |
0.537 |
23 |
27 |
HF |
Hydrogen fluoride |
1 |
Σ |
4139 |
3961 |
0.957 |
24 |
28 |
CF |
Fluoromethylidyne |
1 |
Σ |
1316 |
1286 |
0.977 |
25 |
29 |
FO |
Oxygen monofluoride |
1 |
Σ |
1123 |
1033 |
0.920 |
26 |
30 |
F2 |
Fluorine diatomic |
1 |
Σg |
1023 |
894 |
0.874 |
27 |
31 |
SiF |
silicon monofluoride |
1 |
Σ |
839 |
848 |
1.011 |
28 |
32 |
NCl |
nitrogen monochloride |
1 |
Σ |
831 |
817 |
0.984 |
29 |
33 |
ClF |
Chlorine monofluoride |
1 |
Σ |
790 |
773 |
0.979 |
30 |
34 |
SCl |
sulfur monochloride |
1 |
Σ |
573 |
577 |
1.007 |
31 |
35 |
ZnF |
Zinc monofluoride |
1 |
Σ |
624 |
616 |
0.988 |
32 |
36 |
AsCl |
Arsenic monochloride |
1 |
Σ |
425 |
439 |
1.032 |
33 |
37 |
HBr |
hydrogen bromide |
1 |
Σ |
2675 |
2559 |
0.956 |
34 |
38 |
CBr |
Carbon monobromide |
1 |
Σ |
726 |
720 |
0.992 |
35 |
39 |
AlBr |
Aluminum monobromide |
1 |
Σ |
369 |
375 |
1.018 |
36 |
40 |
SiBr |
Silicon monobromide |
1 |
Σ |
415 |
421 |
1.014 |
37 |
41 |
PBr |
Phosphorus monobromide |
1 |
Σ |
431 |
|
|
38 |
42 |
CaBr |
Calcium monobromide |
1 |
Σ |
282 |
284 |
1.005 |
39 |
43 |
CH2 |
Methylene |
1 |
A1 |
3166 |
2806 |
0.886 |
40 |
44 |
|
|
1 |
A1 |
2951 |
2806 |
0.951 |
40 |
45 |
|
|
2 |
A1 |
1423 |
1353 |
0.950 |
40 |
46 |
|
|
2 |
A1 |
1090 |
963 |
0.884 |
40 |
47 |
|
|
3 |
B2 |
3397 |
3190 |
0.939 |
40 |
48 |
|
|
3 |
B2 |
3013 |
2865 |
0.951 |
40 |
49 |
C2H |
Ethynyl radical |
1 |
Σ |
3488 |
3299 |
0.946 |
41 |
50 |
|
|
2 |
Σ |
2112 |
1841 |
0.872 |
41 |
51 |
|
|
3 |
Π |
412 |
372 |
0.903 |
41 |
52 |
GeH2 |
germylene |
1 |
A1 |
1967 |
1856 |
0.944 |
42 |
53 |
|
|
2 |
A1 |
952 |
916 |
0.963 |
42 |
54 |
|
|
3 |
B2 |
1977 |
1863 |
0.942 |
42 |
55 |
NH2 |
Amino radical |
1 |
A1 |
3394 |
3219 |
0.949 |
43 |
56 |
|
|
2 |
A1 |
1553 |
1497 |
0.964 |
43 |
57 |
|
|
3 |
B2 |
3487 |
3301 |
0.947 |
43 |
58 |
N3 |
azide radical |
3 |
Πu |
610 |
457 |
0.749 |
44 |
59 |
H2O |
Water |
1 |
A1 |
3834 |
3657 |
0.954 |
45 |
60 |
|
|
2 |
A1 |
1651 |
1595 |
0.966 |
45 |
61 |
|
|
3 |
B2 |
3942 |
3756 |
0.953 |
45 |
62 |
HDO |
Water-d1 |
1 |
A' |
3891 |
3707 |
0.953 |
46 |
63 |
|
|
2 |
A' |
2825 |
2727 |
0.965 |
46 |
64 |
|
|
3 |
A' |
1447 |
1402 |
0.969 |
46 |
65 |
Li2O |
dilithium oxide |
1 |
Σg |
781 |
779 |
0.998 |
47 |
66 |
|
|
2 |
Σu |
1035 |
964 |
0.932 |
47 |
67 |
|
|
3 |
Πu |
118 |
112 |
0.949 |
47 |
68 |
HBO |
Boron hydride oxide |
1 |
Σ |
2914 |
2850 |
0.978 |
48 |
69 |
|
|
2 |
Σ |
1840 |
1826 |
0.992 |
48 |
70 |
|
|
3 |
Π |
779 |
756 |
0.970 |
48 |
71 |
NCO |
isocyanato radical |
1 |
Σ |
2042 |
1921 |
0.941 |
49 |
72 |
|
|
2 |
Σ |
1281 |
1267 |
0.989 |
49 |
73 |
|
|
3 |
Π |
590 |
535 |
0.907 |
49 |
74 |
CO2 |
Carbon dioxide |
1 |
Σg |
1348 |
1333 |
0.989 |
50 |
75 |
|
|
2 |
Σu |
2408 |
2349 |
0.975 |
50 |
76 |
|
|
3 |
Πu |
665 |
667 |
1.003 |
50 |
77 |
N2O |
Nitrous oxide |
1 |
Σ |
2279 |
2224 |
0.976 |
51 |
78 |
|
|
2 |
Σ |
1309 |
1285 |
0.982 |
51 |
79 |
|
|
3 |
Π |
610 |
589 |
0.966 |
51 |
80 |
NO2 |
Nitrogen dioxide |
1 |
A1 |
1343 |
1318 |
0.981 |
52 |
81 |
|
|
2 |
A1 |
760 |
750 |
0.987 |
52 |
82 |
|
|
3 |
B2 |
1710 |
1618 |
0.946 |
52 |
83 |
O3 |
Ozone |
1 |
A1 |
1139 |
1110 |
0.975 |
53 |
84 |
|
|
2 |
A1 |
714 |
705 |
0.988 |
53 |
85 |
|
|
3 |
B2 |
1193 |
1042 |
0.874 |
53 |
86 |
SiS2 |
Silicon disulfide |
1 |
Σg |
512 |
514 |
1.003 |
54 |
87 |
S3 |
Sulfur trimer |
2 |
A1 |
580 |
281 |
0.484 |
55 |
88 |
H2Se |
Hydrogen selenide |
1 |
A1 |
2476 |
2345 |
0.947 |
56 |
89 |
|
|
2 |
A1 |
1072 |
1034 |
0.964 |
56 |
90 |
|
|
3 |
B2 |
2492 |
2358 |
0.946 |
56 |
91 |
SeO2 |
Selenium dioxide |
1 |
A1 |
923 |
922 |
0.998 |
57 |
92 |
|
|
2 |
A1 |
362 |
373 |
1.030 |
57 |
93 |
|
|
3 |
B2 |
980 |
966 |
0.986 |
57 |
94 |
SCSe |
Carbon sulfide selenide |
1 |
Σ |
1467 |
1435 |
0.978 |
58 |
95 |
|
|
2 |
Σ |
514 |
506 |
0.984 |
58 |
96 |
|
|
3 |
Π |
363 |
355 |
0.977 |
58 |
97 |
CNF |
iso cyanogen fluoride |
1 |
Σ |
2178 |
2123 |
0.975 |
59 |
98 |
|
|
2 |
Σ |
968 |
928 |
0.959 |
59 |
99 |
BF2 |
Boron difluoride radical |
1 |
A1 |
1168 |
1153 |
0.987 |
60 |
100 |
|
|
2 |
A1 |
525 |
525 |
1.001 |
60 |
101 |
|
|
3 |
B2 |
1431 |
1394 |
0.974 |
60 |
102 |
CF2 |
Difluoromethylene |
1 |
A1 |
1246 |
1225 |
0.983 |
61 |
103 |
|
|
2 |
A1 |
675 |
667 |
0.988 |
61 |
104 |
|
|
3 |
B2 |
1136 |
1114 |
0.981 |
61 |
105 |
FSN |
Thiazyl fluoride |
1 |
A' |
1404 |
1372 |
0.977 |
62 |
106 |
|
|
2 |
A' |
635 |
640 |
1.008 |
62 |
107 |
|
|
3 |
A' |
360 |
366 |
1.018 |
62 |
108 |
SFCl |
Sulfur chloride fluoride |
1 |
A' |
790 |
781 |
0.989 |
63 |
109 |
|
|
2 |
A' |
544 |
552 |
1.014 |
63 |
110 |
|
|
3 |
A' |
268 |
277 |
1.032 |
63 |
111 |
CFCl |
chlorofluoromethylene |
1 |
A' |
1193 |
1154 |
0.967 |
64 |
112 |
|
|
2 |
A' |
746 |
753 |
1.010 |
64 |
113 |
|
|
3 |
A' |
447 |
447 |
1.001 |
64 |
114 |
OPCl |
Phosphorus oxychloride |
1 |
A' |
1256 |
1263 |
1.005 |
65 |
115 |
|
|
2 |
A' |
494 |
308 |
0.623 |
65 |
116 |
|
|
3 |
A' |
302 |
492 |
1.632 |
65 |
117 |
ClSO |
Sulfur chloride oxide |
1 |
A' |
1191 |
1163 |
0.976 |
66 |
118 |
CBr2 |
dibromomethylene |
1 |
A1 |
600 |
598 |
0.997 |
67 |
119 |
|
|
2 |
A1 |
197 |
194 |
0.985 |
67 |
120 |
|
|
3 |
B2 |
649 |
660 |
1.018 |
67 |
121 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1957 |
1900 |
0.971 |
68 |
122 |
|
|
2 |
A2" |
723 |
698 |
0.965 |
68 |
123 |
|
|
3 |
E' |
1962 |
1883 |
0.960 |
68 |
124 |
|
|
4 |
E' |
799 |
783 |
0.980 |
68 |
125 |
CH3 |
Methyl radical |
1 |
A1' |
3146 |
3004 |
0.955 |
69 |
126 |
|
|
2 |
A2" |
519 |
606 |
1.169 |
69 |
127 |
|
|
3 |
E' |
3322 |
3161 |
0.952 |
69 |
128 |
|
|
4 |
E' |
1429 |
1396 |
0.977 |
69 |
129 |
NH3 |
Ammonia |
1 |
A1 |
3494 |
3337 |
0.955 |
70 |
130 |
|
|
2 |
A1 |
1078 |
950 |
0.881 |
70 |
131 |
|
|
3 |
E |
3618 |
3444 |
0.952 |
70 |
132 |
|
|
4 |
E |
1689 |
1627 |
0.963 |
70 |
133 |
HBNH |
Boranimine |
1 |
Σ |
3895 |
3711 |
0.953 |
71 |
134 |
|
|
2 |
Σ |
2898 |
2775 |
0.958 |
71 |
135 |
|
|
3 |
Σ |
1826 |
1786 |
0.978 |
71 |
136 |
|
|
4 |
Π |
738 |
677 |
0.918 |
71 |
137 |
|
|
5 |
Π |
496 |
461 |
0.929 |
71 |
138 |
C2N2 |
Cyanogen |
1 |
Σg |
2360 |
2330 |
0.987 |
72 |
139 |
|
|
2 |
Σg |
877 |
846 |
0.964 |
72 |
140 |
|
|
3 |
Σu |
2184 |
2158 |
0.988 |
72 |
141 |
|
|
4 |
Πg |
537 |
503 |
0.936 |
72 |
142 |
|
|
5 |
Πu |
249 |
234 |
0.938 |
72 |
143 |
PH3 |
Phosphine |
1 |
A1 |
2430 |
2323 |
0.956 |
73 |
144 |
|
|
2 |
A1 |
1025 |
992 |
0.968 |
73 |
145 |
|
|
3 |
E |
2439 |
2328 |
0.954 |
73 |
146 |
|
|
4 |
E |
1152 |
1118 |
0.970 |
73 |
147 |
H2CO |
Formaldehyde |
1 |
A1 |
2929 |
2782 |
0.950 |
74 |
148 |
|
|
2 |
A1 |
1800 |
1746 |
0.970 |
74 |
149 |
|
|
3 |
A1 |
1550 |
1500 |
0.968 |
74 |
150 |
|
|
4 |
B1 |
1213 |
1167 |
0.962 |
74 |
151 |
|
|
5 |
B2 |
2984 |
2843 |
0.953 |
74 |
152 |
|
|
6 |
B2 |
1278 |
1249 |
0.977 |
74 |
153 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3800 |
3599 |
0.947 |
75 |
154 |
|
|
2 |
A |
1441 |
1402 |
0.973 |
75 |
155 |
|
|
3 |
A |
941 |
877 |
0.932 |
75 |
156 |
|
|
4 |
A |
369 |
371 |
1.004 |
75 |
157 |
|
|
5 |
B |
3799 |
3608 |
0.950 |
75 |
158 |
|
|
6 |
B |
1326 |
1266 |
0.955 |
75 |
159 |
HOCO |
Hydrocarboxyl radical |
1 |
A' |
3630 |
3316 |
0.913 |
76 |
160 |
|
|
1 |
A' |
3821 |
3636 |
0.952 |
76 |
161 |
|
|
2 |
A' |
1891 |
1853 |
0.980 |
76 |
162 |
|
|
2 |
A' |
1855 |
1797 |
0.969 |
76 |
163 |
|
|
3 |
A' |
1308 |
1261 |
0.964 |
76 |
164 |
|
|
3 |
A' |
1250 |
1210 |
0.968 |
76 |
165 |
|
|
4 |
A' |
1093 |
1050 |
0.961 |
76 |
166 |
|
|
4 |
A' |
1080 |
1088 |
1.008 |
76 |
167 |
|
|
5 |
A' |
603 |
620 |
1.028 |
76 |
168 |
|
|
6 |
A" |
547 |
508 |
0.929 |
76 |
169 |
C3O |
Tricarbon monoxide |
1 |
Σ |
2324 |
2257 |
0.971 |
77 |
170 |
|
|
2 |
Σ |
1943 |
1907 |
0.982 |
77 |
171 |
|
|
3 |
Σ |
956 |
935 |
0.978 |
77 |
172 |
|
|
4 |
Π |
597 |
581 |
0.973 |
77 |
173 |
|
|
5 |
Π |
160 |
109 |
0.682 |
77 |
174 |
ONNO |
NO dimer |
1 |
A1 |
1866 |
1868 |
1.001 |
78 |
175 |
|
|
2 |
A1 |
370 |
239 |
0.648 |
78 |
176 |
|
|
3 |
A1 |
310 |
135 |
0.433 |
78 |
177 |
|
|
4 |
A2 |
255 |
117 |
0.459 |
78 |
178 |
|
|
5 |
B2 |
1721 |
1789 |
1.040 |
78 |
179 |
|
|
6 |
B2 |
692 |
429 |
0.620 |
78 |
180 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3095 |
2971 |
0.960 |
79 |
181 |
|
|
2 |
A1 |
1506 |
1456 |
0.967 |
79 |
182 |
|
|
3 |
A1 |
1084 |
1059 |
0.977 |
79 |
183 |
|
|
4 |
B1 |
1034 |
990 |
0.958 |
79 |
184 |
|
|
5 |
B2 |
3177 |
3025 |
0.952 |
79 |
185 |
|
|
6 |
B2 |
1012 |
991 |
0.979 |
79 |
186 |
HOSH |
hydrogen thioperoxide |
1 |
A |
3816 |
3626 |
0.950 |
80 |
187 |
|
|
2 |
A |
2648 |
2538 |
0.959 |
80 |
188 |
|
|
3 |
A |
1214 |
1176 |
0.969 |
80 |
189 |
|
|
5 |
A |
772 |
763 |
0.988 |
80 |
190 |
|
|
6 |
A |
482 |
445 |
0.923 |
80 |
191 |
HSCN |
thiocyanic acid |
1 |
A' |
2699 |
2581 |
0.956 |
81 |
192 |
|
|
2 |
A' |
2221 |
2182 |
0.982 |
81 |
193 |
|
|
3 |
A' |
984 |
960 |
0.975 |
81 |
194 |
HNCS |
Isothiocyanic acid |
1 |
A' |
3701 |
3539 |
0.956 |
82 |
195 |
|
|
2 |
A' |
2038 |
1989 |
0.976 |
82 |
196 |
|
|
3 |
A' |
877 |
857 |
0.977 |
82 |
197 |
|
|
4 |
A' |
647 |
615 |
0.950 |
82 |
198 |
|
|
5 |
A' |
463 |
469 |
1.014 |
82 |
199 |
|
|
6 |
A" |
492 |
539 |
1.095 |
82 |
200 |
H2S2 |
Disulfane |
1 |
A |
2674 |
2556 |
0.956 |
83 |
201 |
|
|
2 |
A |
900 |
882 |
0.979 |
83 |
202 |
|
|
3 |
A |
517 |
515 |
0.994 |
83 |
203 |
|
|
4 |
A |
439 |
417 |
0.952 |
83 |
204 |
|
|
5 |
B |
2677 |
2559 |
0.956 |
83 |
205 |
|
|
6 |
B |
900 |
878 |
0.975 |
83 |
206 |
S2N2 |
Disulfur dinitride |
1 |
Ag |
890 |
913 |
1.026 |
84 |
207 |
|
|
2 |
Ag |
634 |
632 |
0.997 |
84 |
208 |
|
|
3 |
B1u |
668 |
656 |
0.981 |
84 |
209 |
|
|
4 |
B2u |
765 |
790 |
1.032 |
84 |
210 |
|
|
5 |
B3g |
902 |
898 |
0.996 |
84 |
211 |
|
|
6 |
B3u |
470 |
474 |
1.008 |
84 |
212 |
NHF2 |
difluoramine |
1 |
A' |
3411 |
3193 |
0.936 |
85 |
213 |
|
|
2 |
A' |
1341 |
1307 |
0.974 |
85 |
214 |
|
|
3 |
A' |
1004 |
972 |
0.968 |
85 |
215 |
|
|
4 |
A' |
507 |
500 |
0.986 |
85 |
216 |
|
|
5 |
A" |
1474 |
1424 |
0.966 |
85 |
217 |
|
|
6 |
A" |
909 |
888 |
0.977 |
85 |
218 |
SiF3 |
Silicon trifluoride radical |
1 |
A1 |
823 |
835 |
1.015 |
86 |
219 |
|
|
2 |
A1 |
401 |
406 |
1.013 |
86 |
220 |
|
|
3 |
E |
952 |
959 |
1.007 |
86 |
221 |
|
|
4 |
E |
283 |
290 |
1.024 |
86 |
222 |
ClONO |
chlorine nitrite |
1 |
A' |
1741 |
1715 |
0.985 |
87 |
223 |
|
|
2 |
A' |
862 |
858 |
0.996 |
87 |
224 |
|
|
3 |
A' |
659 |
644 |
0.977 |
87 |
225 |
|
|
4 |
A' |
365 |
406 |
1.112 |
87 |
226 |
|
|
5 |
A' |
241 |
270 |
1.119 |
87 |
227 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
755 |
752 |
0.996 |
88 |
228 |
|
|
2 |
A1 |
527 |
529 |
1.004 |
88 |
229 |
|
|
3 |
A1 |
309 |
328 |
1.061 |
88 |
230 |
|
|
4 |
B1 |
326 |
328 |
1.007 |
88 |
231 |
|
|
5 |
B2 |
719 |
702 |
0.977 |
88 |
232 |
|
|
6 |
B2 |
417 |
442 |
1.061 |
88 |
233 |
ClOOCl |
Dichlorine dioxide |
1 |
A |
806 |
750 |
0.930 |
89 |
234 |
|
|
2 |
A |
565 |
560 |
0.990 |
89 |
235 |
|
|
5 |
B |
654 |
653 |
0.998 |
89 |
236 |
|
|
6 |
B |
442 |
419 |
0.947 |
89 |
237 |
NCl3 |
nitrogen trichloride |
1 |
A1 |
545 |
538 |
0.987 |
90 |
238 |
|
|
2 |
A1 |
354 |
349 |
0.985 |
90 |
239 |
|
|
3 |
E |
645 |
642 |
0.996 |
90 |
240 |
|
|
4 |
E |
258 |
257 |
0.995 |
90 |
241 |
AsCl3 |
Arsenous trichloride |
1 |
A1 |
417 |
|
|
91 |
242 |
|
|
2 |
A1 |
193 |
|
|
91 |
243 |
|
|
3 |
E |
392 |
|
|
91 |
244 |
|
|
4 |
E |
150 |
|
|
91 |
245 |
HCCBr |
bromoacetylene |
1 |
Σ |
3496 |
3325 |
0.951 |
92 |
246 |
|
|
2 |
Σ |
2145 |
2085 |
0.972 |
92 |
247 |
|
|
3 |
Σ |
610 |
618 |
1.013 |
92 |
248 |
|
|
4 |
Π |
651 |
618 |
0.950 |
92 |
249 |
|
|
5 |
Π |
317 |
295 |
0.929 |
92 |
250 |
CH4 |
Methane |
1 |
A1 |
3059 |
2917 |
0.954 |
93 |
251 |
|
|
2 |
E |
1580 |
1534 |
0.971 |
93 |
252 |
|
|
3 |
T2 |
3167 |
3019 |
0.953 |
93 |
253 |
|
|
4 |
T2 |
1355 |
1306 |
0.964 |
93 |
254 |
CH3Li |
methyl lithium |
1 |
A1 |
2992 |
2780 |
0.929 |
94 |
255 |
|
|
2 |
A1 |
1101 |
1158 |
1.052 |
94 |
256 |
|
|
3 |
A1 |
636 |
530 |
0.834 |
94 |
257 |
|
|
4 |
E |
3051 |
2820 |
0.924 |
94 |
258 |
|
|
5 |
E |
1464 |
1387 |
0.948 |
94 |
259 |
|
|
6 |
E |
435 |
409 |
0.940 |
94 |
260 |
C2H3 |
vinyl |
1 |
A' |
3273 |
3141 |
0.960 |
95 |
261 |
|
|
2 |
A' |
3182 |
2953 |
0.928 |
95 |
262 |
|
|
3 |
A' |
3082 |
2912 |
0.945 |
95 |
263 |
|
|
5 |
A' |
1409 |
1360 |
0.965 |
95 |
264 |
|
|
7 |
A' |
720 |
674 |
0.935 |
95 |
265 |
|
|
8 |
A" |
941 |
895 |
0.952 |
95 |
266 |
|
|
9 |
A" |
834 |
857 |
1.027 |
95 |
267 |
SiH4 |
Silane |
1 |
A1 |
2266 |
2187 |
0.965 |
96 |
268 |
|
|
2 |
E |
993 |
975 |
0.981 |
96 |
269 |
|
|
3 |
T2 |
2274 |
2191 |
0.963 |
96 |
270 |
|
|
4 |
T2 |
935 |
914 |
0.978 |
96 |
271 |
SiH2D2 |
silane-d2 |
1 |
A1 |
2269 |
2189 |
0.965 |
97 |
272 |
|
|
2 |
A1 |
1622 |
1587 |
0.978 |
97 |
273 |
|
|
3 |
A1 |
965 |
944 |
0.978 |
97 |
274 |
|
|
4 |
A1 |
694 |
683 |
0.984 |
97 |
275 |
|
|
5 |
A2 |
860 |
844 |
0.981 |
97 |
276 |
|
|
6 |
B1 |
1643 |
2183 |
1.329 |
97 |
277 |
|
|
7 |
B1 |
879 |
743 |
0.845 |
97 |
278 |
|
|
8 |
B2 |
2273 |
1601 |
0.704 |
97 |
279 |
|
|
9 |
B2 |
758 |
862 |
1.138 |
97 |
280 |
GeH4 |
Germane |
1 |
A1 |
2212 |
2106 |
0.952 |
98 |
281 |
|
|
2 |
E |
951 |
931 |
0.979 |
98 |
282 |
|
|
3 |
T2 |
2218 |
2114 |
0.953 |
98 |
283 |
|
|
4 |
T2 |
847 |
819 |
0.967 |
98 |
284 |
NH2OH |
hydroxylamine |
1 |
A' |
3848 |
3650 |
0.948 |
99 |
285 |
|
|
2 |
A' |
3474 |
3294 |
0.948 |
99 |
286 |
|
|
3 |
A' |
1676 |
1605 |
0.958 |
99 |
287 |
|
|
4 |
A' |
1411 |
1353 |
0.959 |
99 |
288 |
|
|
5 |
A' |
1162 |
1115 |
0.960 |
99 |
289 |
|
|
6 |
A' |
934 |
895 |
0.959 |
99 |
290 |
|
|
7 |
A" |
3557 |
3359 |
0.944 |
99 |
291 |
|
|
8 |
A" |
1335 |
1295 |
0.970 |
99 |
292 |
|
|
9 |
A" |
411 |
386 |
0.940 |
99 |
293 |
Be(OH)2 |
Beryllium hydroxide |
1 |
A |
3988 |
3806 |
0.954 |
100 |
294 |
|
|
7 |
B |
1545 |
1494 |
0.967 |
100 |
295 |
|
|
8 |
B |
558 |
456 |
0.817 |
100 |
296 |
HCOOH |
Formic acid |
1 |
A' |
3749 |
3570 |
0.952 |
101 |
297 |
|
|
2 |
A' |
3093 |
2943 |
0.952 |
101 |
298 |
|
|
3 |
A' |
1816 |
1770 |
0.975 |
101 |
299 |
|
|
4 |
A' |
1417 |
1387 |
0.979 |
101 |
300 |
|
|
5 |
A' |
1315 |
1229 |
0.935 |
101 |
301 |
|
|
6 |
A' |
1131 |
1105 |
0.977 |
101 |
302 |
|
|
7 |
A' |
631 |
625 |
0.991 |
101 |
303 |
|
|
8 |
A" |
1066 |
1033 |
0.969 |
101 |
304 |
|
|
9 |
A" |
688 |
638 |
0.927 |
101 |
305 |
CH3F |
Methyl fluoride |
1 |
A1 |
3063 |
2930 |
0.957 |
102 |
306 |
|
|
2 |
A1 |
1507 |
1464 |
0.971 |
102 |
307 |
|
|
3 |
A1 |
1076 |
1049 |
0.975 |
102 |
308 |
|
|
4 |
E |
3143 |
3006 |
0.956 |
102 |
309 |
|
|
5 |
E |
1516 |
1467 |
0.968 |
102 |
310 |
|
|
6 |
E |
1210 |
1182 |
0.977 |
102 |
311 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3101 |
2966 |
0.956 |
103 |
312 |
|
|
2 |
A1 |
1394 |
1355 |
0.972 |
103 |
313 |
|
|
3 |
A1 |
734 |
732 |
0.997 |
103 |
314 |
|
|
4 |
E |
3196 |
3042 |
0.952 |
103 |
315 |
|
|
5 |
E |
1502 |
1455 |
0.968 |
103 |
316 |
|
|
6 |
E |
1038 |
1015 |
0.978 |
103 |
317 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2306 |
2224 |
0.964 |
104 |
318 |
|
|
2 |
A1 |
970 |
954 |
0.984 |
104 |
319 |
|
|
3 |
A1 |
526 |
527 |
1.002 |
104 |
320 |
|
|
4 |
A1 |
186 |
188 |
1.011 |
104 |
321 |
|
|
5 |
A2 |
719 |
710 |
0.988 |
104 |
322 |
|
|
6 |
B1 |
2322 |
2237 |
0.964 |
104 |
323 |
|
|
7 |
B1 |
602 |
602 |
1.000 |
104 |
324 |
|
|
8 |
B2 |
886 |
876 |
0.988 |
104 |
325 |
|
|
9 |
B2 |
587 |
590 |
1.005 |
104 |
326 |
ClOF3 |
Chlorine trifluoride oxide |
1 |
A' |
1225 |
1222 |
0.998 |
105 |
327 |
|
|
2 |
A' |
679 |
694 |
1.022 |
105 |
328 |
|
|
3 |
A' |
479 |
489 |
1.021 |
105 |
329 |
|
|
4 |
A' |
460 |
482 |
1.049 |
105 |
330 |
|
|
5 |
A' |
298 |
319 |
1.071 |
105 |
331 |
|
|
6 |
A' |
214 |
224 |
1.048 |
105 |
332 |
|
|
7 |
A" |
699 |
676 |
0.967 |
105 |
333 |
|
|
8 |
A" |
480 |
499 |
1.039 |
105 |
334 |
|
|
9 |
A" |
387 |
412 |
1.064 |
105 |
335 |
CHCl3 |
Chloroform |
1 |
A1 |
3203 |
3034 |
0.947 |
106 |
336 |
|
|
2 |
A1 |
676 |
680 |
1.006 |
106 |
337 |
|
|
3 |
A1 |
367 |
366 |
0.997 |
106 |
338 |
|
|
4 |
E |
1249 |
1220 |
0.977 |
106 |
339 |
|
|
5 |
E |
763 |
774 |
1.015 |
106 |
340 |
|
|
6 |
E |
260 |
260 |
0.999 |
106 |
341 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
459 |
459 |
1.000 |
107 |
342 |
|
|
2 |
E |
218 |
217 |
0.997 |
107 |
343 |
|
|
3 |
T2 |
773 |
776 |
1.004 |
107 |
344 |
|
|
4 |
T2 |
315 |
314 |
0.996 |
107 |
345 |
CH2BrF |
Methane, bromofluoro- |
1 |
A' |
3126 |
2992 |
0.957 |
108 |
346 |
|
|
2 |
A' |
1515 |
1465 |
0.967 |
108 |
347 |
|
|
3 |
A' |
1351 |
1314 |
0.973 |
108 |
348 |
|
|
4 |
A' |
1096 |
1068 |
0.975 |
108 |
349 |
|
|
5 |
A' |
647 |
651 |
1.005 |
108 |
350 |
|
|
6 |
A' |
313 |
311 |
0.994 |
108 |
351 |
|
|
7 |
A" |
3206 |
3047 |
0.950 |
108 |
352 |
|
|
8 |
A" |
1264 |
1226 |
0.970 |
108 |
353 |
|
|
9 |
A" |
951 |
935 |
0.983 |
108 |
354 |
SiH3Br |
bromosilane |
1 |
A1 |
2279 |
2200 |
0.965 |
109 |
355 |
|
|
2 |
A1 |
947 |
930 |
0.982 |
109 |
356 |
|
|
3 |
A1 |
428 |
430 |
1.004 |
109 |
357 |
|
|
4 |
E |
2295 |
2196 |
0.957 |
109 |
358 |
|
|
5 |
E |
968 |
950 |
0.981 |
109 |
359 |
|
|
6 |
E |
637 |
633 |
0.993 |
109 |
360 |
CH2BrCl |
Methane, bromochloro- |
1 |
A' |
3153 |
3003 |
0.952 |
110 |
361 |
|
|
2 |
A' |
1469 |
1482 |
1.009 |
110 |
362 |
|
|
3 |
A' |
1264 |
1231 |
0.974 |
110 |
363 |
|
|
4 |
A' |
744 |
744 |
1.001 |
110 |
364 |
|
|
5 |
A' |
616 |
614 |
0.996 |
110 |
365 |
|
|
6 |
A' |
227 |
229 |
1.010 |
110 |
366 |
|
|
7 |
A" |
3229 |
3066 |
0.950 |
110 |
367 |
|
|
8 |
A" |
1161 |
1128 |
0.971 |
110 |
368 |
|
|
9 |
A" |
864 |
852 |
0.986 |
110 |
369 |
CHFClBr |
fluorochlorobromomethane |
1 |
A |
3184 |
3026 |
0.950 |
111 |
370 |
|
|
2 |
A |
1343 |
1311 |
0.976 |
111 |
371 |
|
|
3 |
A |
1235 |
1205 |
0.976 |
111 |
372 |
|
|
4 |
A |
1101 |
1078 |
0.979 |
111 |
373 |
|
|
5 |
A |
775 |
788 |
1.017 |
111 |
374 |
|
|
6 |
A |
662 |
664 |
1.003 |
111 |
375 |
|
|
7 |
A |
426 |
427 |
1.002 |
111 |
376 |
|
|
8 |
A |
315 |
315 |
0.999 |
111 |
377 |
|
|
9 |
A |
223 |
226 |
1.010 |
111 |
378 |
CBrCl2F |
bromodichlorofluoromethane |
1 |
A' |
1098 |
1080 |
0.984 |
112 |
379 |
|
|
2 |
A' |
785 |
796 |
1.014 |
112 |
380 |
|
|
3 |
A' |
503 |
502 |
0.999 |
112 |
381 |
|
|
4 |
A' |
337 |
339 |
1.005 |
112 |
382 |
|
|
5 |
A' |
304 |
306 |
1.007 |
112 |
383 |
|
|
6 |
A' |
217 |
218 |
1.006 |
112 |
384 |
|
|
7 |
A" |
822 |
838 |
1.019 |
112 |
385 |
|
|
8 |
A" |
393 |
392 |
0.997 |
112 |
386 |
|
|
9 |
A" |
203 |
204 |
1.007 |
112 |
387 |
CBr2Cl2 |
dibromodichloromethane |
1 |
A1 |
732 |
733 |
1.002 |
113 |
388 |
|
|
2 |
A1 |
383 |
380 |
0.993 |
113 |
389 |
|
|
3 |
A1 |
243 |
242 |
0.996 |
113 |
390 |
|
|
4 |
A1 |
154 |
154 |
0.998 |
113 |
391 |
|
|
5 |
A2 |
175 |
175 |
1.000 |
113 |
392 |
|
|
6 |
B1 |
686 |
683 |
0.995 |
113 |
393 |
|
|
7 |
B1 |
232 |
229 |
0.987 |
113 |
394 |
|
|
8 |
B2 |
762 |
768 |
1.008 |
113 |
395 |
|
|
9 |
B2 |
264 |
262 |
0.991 |
113 |
396 |
CFBr3 |
fluorotribromomethane |
1 |
A1 |
1092 |
1069 |
0.979 |
114 |
397 |
|
|
2 |
A1 |
402 |
398 |
0.989 |
114 |
398 |
|
|
3 |
A1 |
219 |
218 |
0.995 |
114 |
399 |
|
|
4 |
E |
736 |
743 |
1.009 |
114 |
400 |
|
|
5 |
E |
309 |
306 |
0.990 |
114 |
401 |
|
|
6 |
E |
149 |
150 |
1.007 |
114 |
402 |
CBr3Cl |
tribromochloromethane |
1 |
A1 |
741 |
747 |
1.008 |
115 |
403 |
|
|
2 |
A1 |
332 |
329 |
0.990 |
115 |
404 |
|
|
3 |
A1 |
212 |
210 |
0.992 |
115 |
405 |
|
|
4 |
E |
677 |
675 |
0.997 |
115 |
406 |
|
|
5 |
E |
217 |
211 |
0.970 |
115 |
407 |
|
|
6 |
E |
142 |
141 |
0.995 |
115 |
408 |
SiBr4 |
Silicon tetrabromide |
1 |
A1 |
248 |
249 |
1.006 |
116 |
409 |
|
|
2 |
E |
86 |
90 |
1.045 |
116 |
410 |
|
|
3 |
T2 |
494 |
487 |
0.986 |
116 |
411 |
|
|
4 |
T2 |
135 |
137 |
1.014 |
116 |
412 |
C2H4 |
Ethylene |
1 |
Ag |
3175 |
3026 |
0.953 |
117 |
413 |
|
|
2 |
Ag |
1693 |
1623 |
0.959 |
117 |
414 |
|
|
3 |
Ag |
1388 |
1342 |
0.967 |
117 |
415 |
|
|
4 |
Au |
1074 |
1023 |
0.952 |
117 |
416 |
|
|
5 |
B1u |
3158 |
2989 |
0.946 |
117 |
417 |
|
|
6 |
B1u |
1490 |
1444 |
0.969 |
117 |
418 |
|
|
7 |
B2g |
981 |
940 |
0.958 |
117 |
419 |
|
|
8 |
B2u |
3258 |
3105 |
0.953 |
117 |
420 |
|
|
9 |
B2u |
837 |
826 |
0.986 |
117 |
421 |
|
|
10 |
B3g |
3229 |
3086 |
0.956 |
117 |
422 |
|
|
11 |
B3g |
1253 |
1217 |
0.971 |
117 |
423 |
|
|
12 |
B3u |
987 |
949 |
0.961 |
117 |
424 |
N2H4 |
Hydrazine |
1 |
A |
3592 |
3398 |
0.946 |
118 |
425 |
|
|
2 |
A |
3493 |
3329 |
0.953 |
118 |
426 |
|
|
3 |
A |
1699 |
1642 |
0.967 |
118 |
427 |
|
|
4 |
A |
1345 |
1275 |
0.948 |
118 |
428 |
|
|
5 |
A |
1126 |
1076 |
0.956 |
118 |
429 |
|
|
6 |
A |
832 |
780 |
0.938 |
118 |
430 |
|
|
7 |
A |
431 |
377 |
0.874 |
118 |
431 |
|
|
8 |
B |
3598 |
3350 |
0.931 |
118 |
432 |
|
|
9 |
B |
3484 |
3314 |
0.951 |
118 |
433 |
|
|
10 |
B |
1686 |
1628 |
0.966 |
118 |
434 |
|
|
11 |
B |
1312 |
1275 |
0.972 |
118 |
435 |
|
|
12 |
B |
1016 |
966 |
0.951 |
118 |
436 |
CHNCH2 |
2H-Azirine |
1 |
A' |
3232 |
3078 |
0.952 |
119 |
437 |
|
|
2 |
A' |
3132 |
3006 |
0.960 |
119 |
438 |
|
|
3 |
A' |
1705 |
1669 |
0.979 |
119 |
439 |
|
|
5 |
A' |
1304 |
1241 |
0.951 |
119 |
440 |
|
|
7 |
A' |
1002 |
979 |
0.977 |
119 |
441 |
|
|
9 |
A" |
3219 |
3062 |
0.951 |
119 |
442 |
|
|
12 |
A" |
803 |
767 |
0.955 |
119 |
443 |
HCCNH2 |
Ethynamine |
1 |
A' |
3560 |
3400 |
0.955 |
120 |
444 |
|
|
2 |
A' |
3507 |
3330 |
0.950 |
120 |
445 |
|
|
3 |
A' |
2228 |
2155 |
0.967 |
120 |
446 |
CH3OH |
Methyl alcohol |
1 |
A' |
3863 |
3681 |
0.953 |
121 |
447 |
|
|
2 |
A' |
3141 |
3000 |
0.955 |
121 |
448 |
|
|
3 |
A' |
3024 |
2844 |
0.940 |
121 |
449 |
|
|
4 |
A' |
1531 |
1477 |
0.965 |
121 |
450 |
|
|
5 |
A' |
1496 |
1455 |
0.973 |
121 |
451 |
|
|
6 |
A' |
1386 |
1345 |
0.970 |
121 |
452 |
|
|
7 |
A' |
1092 |
1060 |
0.970 |
121 |
453 |
|
|
8 |
A' |
1058 |
1033 |
0.977 |
121 |
454 |
|
|
9 |
A" |
3072 |
2960 |
0.964 |
121 |
455 |
|
|
10 |
A" |
1516 |
1477 |
0.974 |
121 |
456 |
|
|
11 |
A" |
1183 |
1165 |
0.984 |
121 |
457 |
|
|
12 |
A" |
303 |
200 |
0.660 |
121 |
458 |
H2OH2O |
water dimer |
1 |
A' |
3912 |
3735 |
0.955 |
122 |
459 |
|
|
2 |
A' |
3822 |
3660 |
0.958 |
122 |
460 |
|
|
3 |
A' |
3737 |
3601 |
0.964 |
122 |
461 |
|
|
4 |
A' |
1676 |
1616 |
0.964 |
122 |
462 |
|
|
5 |
A' |
1648 |
1599 |
0.971 |
122 |
463 |
|
|
6 |
A' |
383 |
311 |
0.812 |
122 |
464 |
|
|
7 |
A' |
190 |
143 |
0.752 |
122 |
465 |
|
|
8 |
A' |
152 |
103 |
0.679 |
122 |
466 |
|
|
9 |
A" |
3928 |
3745 |
0.953 |
122 |
467 |
|
|
10 |
A" |
648 |
523 |
0.807 |
122 |
468 |
|
|
11 |
A" |
154 |
108 |
0.702 |
122 |
469 |
|
|
12 |
A" |
113 |
88 |
0.780 |
122 |
470 |
BH3CO |
Borane carbonyl |
1 |
A1 |
2496 |
2380 |
0.954 |
123 |
471 |
|
|
2 |
A1 |
2186 |
2165 |
0.990 |
123 |
472 |
|
|
3 |
A1 |
1109 |
1073 |
0.967 |
123 |
473 |
|
|
4 |
A1 |
741 |
691 |
0.933 |
123 |
474 |
|
|
5 |
E |
2566 |
2444 |
0.952 |
123 |
475 |
|
|
6 |
E |
1141 |
1106 |
0.969 |
123 |
476 |
|
|
7 |
E |
832 |
809 |
0.973 |
123 |
477 |
|
|
8 |
E |
308 |
313 |
1.017 |
123 |
478 |
CH2NOH |
formaldoxime |
1 |
A' |
3842 |
3650 |
0.950 |
124 |
479 |
|
|
2 |
A' |
3259 |
3110 |
0.954 |
124 |
480 |
|
|
3 |
A' |
3132 |
2973 |
0.949 |
124 |
481 |
|
|
4 |
A' |
1702 |
1639 |
0.963 |
124 |
482 |
|
|
5 |
A' |
1464 |
1410 |
0.964 |
124 |
483 |
|
|
6 |
A' |
1357 |
1319 |
0.972 |
124 |
484 |
|
|
7 |
A' |
1188 |
1166 |
0.981 |
124 |
485 |
|
|
8 |
A' |
925 |
893 |
0.965 |
124 |
486 |
|
|
9 |
A' |
536 |
530 |
0.989 |
124 |
487 |
|
|
10 |
A" |
990 |
953 |
0.963 |
124 |
488 |
|
|
11 |
A" |
807 |
774 |
0.959 |
124 |
489 |
|
|
12 |
A" |
430 |
400 |
0.930 |
124 |
490 |
CH3NO |
nitrosomethane |
1 |
A' |
3159 |
2991 |
0.947 |
125 |
491 |
|
|
2 |
A' |
3051 |
2901 |
0.951 |
125 |
492 |
|
|
4 |
A' |
1469 |
1564 |
1.064 |
125 |
493 |
|
|
5 |
A' |
1385 |
1348 |
0.973 |
125 |
494 |
|
|
6 |
A' |
1162 |
967 |
0.833 |
125 |
495 |
|
|
7 |
A' |
862 |
842 |
0.977 |
125 |
496 |
|
|
8 |
A' |
580 |
574 |
0.989 |
125 |
497 |
|
|
9 |
A" |
3134 |
2955 |
0.943 |
125 |
498 |
|
|
10 |
A" |
1473 |
1410 |
0.957 |
125 |
499 |
|
|
11 |
A" |
982 |
916 |
0.933 |
125 |
500 |
CH3SH |
Methanethiol |
1 |
A' |
3165 |
3000 |
0.948 |
126 |
501 |
|
|
2 |
A' |
3082 |
2931 |
0.951 |
126 |
502 |
|
|
3 |
A' |
2718 |
2597 |
0.956 |
126 |
503 |
|
|
4 |
A' |
1506 |
1475 |
0.979 |
126 |
504 |
|
|
5 |
A' |
1372 |
1335 |
0.973 |
126 |
505 |
|
|
6 |
A' |
1106 |
1074 |
0.971 |
126 |
506 |
|
|
7 |
A' |
805 |
803 |
0.997 |
126 |
507 |
|
|
8 |
A' |
715 |
708 |
0.990 |
126 |
508 |
|
|
9 |
A" |
3167 |
3000 |
0.947 |
126 |
509 |
|
|
10 |
A" |
1494 |
1430 |
0.957 |
126 |
510 |
|
|
11 |
A" |
983 |
976 |
0.993 |
126 |
511 |
CHSNH2 |
thioformamide |
1 |
A' |
3724 |
3481 |
0.935 |
127 |
512 |
|
|
2 |
A' |
3585 |
3320 |
0.926 |
127 |
513 |
|
|
3 |
A' |
3122 |
2990 |
0.958 |
127 |
514 |
|
|
4 |
A' |
1648 |
1612 |
0.978 |
127 |
515 |
|
|
5 |
A' |
1471 |
1443 |
0.981 |
127 |
516 |
|
|
6 |
A' |
1322 |
1325 |
1.003 |
127 |
517 |
|
|
7 |
A' |
1147 |
1125 |
0.980 |
127 |
518 |
|
|
8 |
A' |
889 |
843 |
0.949 |
127 |
519 |
|
|
9 |
A' |
434 |
439 |
1.010 |
127 |
520 |
|
|
10 |
A" |
972 |
985 |
1.013 |
127 |
521 |
|
|
11 |
A" |
635 |
670 |
1.055 |
127 |
522 |
|
|
12 |
A" |
337 |
393 |
1.166 |
127 |
523 |
CHFCHClz |
(Z)-1-Chloro-2-fluoroethene |
1 |
A' |
3267 |
3114 |
0.953 |
128 |
524 |
|
|
2 |
A' |
3233 |
3102 |
0.959 |
128 |
525 |
|
|
3 |
A' |
1719 |
1661 |
0.966 |
128 |
526 |
|
|
4 |
A' |
1371 |
1335 |
0.974 |
128 |
527 |
|
|
5 |
A' |
1268 |
1231 |
0.971 |
128 |
528 |
|
|
6 |
A' |
1085 |
1062 |
0.979 |
128 |
529 |
|
|
7 |
A' |
816 |
812 |
0.995 |
128 |
530 |
|
|
8 |
A' |
663 |
656 |
0.989 |
128 |
531 |
|
|
9 |
A' |
198 |
205 |
1.037 |
128 |
532 |
|
|
10 |
A" |
901 |
857 |
0.951 |
128 |
533 |
|
|
11 |
A" |
765 |
735 |
0.961 |
128 |
534 |
|
|
12 |
A" |
462 |
442 |
0.957 |
128 |
535 |
CHFCHCl |
(E)-1-chloro-2-fluoroethene |
1 |
A' |
3257 |
3103 |
0.953 |
129 |
536 |
|
|
2 |
A' |
3248 |
3094 |
0.953 |
129 |
537 |
|
|
3 |
A' |
1707 |
1647 |
0.965 |
129 |
538 |
|
|
4 |
A' |
1335 |
1296 |
0.971 |
129 |
539 |
|
|
5 |
A' |
1249 |
1218 |
0.975 |
129 |
540 |
|
|
6 |
A' |
1154 |
1127 |
0.976 |
129 |
541 |
|
|
7 |
A' |
885 |
876 |
0.990 |
129 |
542 |
|
|
8 |
A' |
453 |
447 |
0.987 |
129 |
543 |
|
|
9 |
A' |
272 |
270 |
0.994 |
129 |
544 |
|
|
10 |
A" |
936 |
888 |
0.948 |
129 |
545 |
|
|
11 |
A" |
826 |
784 |
0.949 |
129 |
546 |
|
|
12 |
A" |
275 |
270 |
0.980 |
129 |
547 |
C2H2ClF |
1-chloro-1-fluoroethylene |
1 |
A' |
3314 |
3159 |
0.953 |
130 |
548 |
|
|
2 |
A' |
3213 |
3072 |
0.956 |
130 |
549 |
|
|
3 |
A' |
1717 |
1656 |
0.964 |
130 |
550 |
|
|
4 |
A' |
1420 |
1375 |
0.968 |
130 |
551 |
|
|
5 |
A' |
1207 |
1188 |
0.984 |
130 |
552 |
|
|
6 |
A' |
967 |
948 |
0.980 |
130 |
553 |
|
|
7 |
A' |
699 |
700 |
1.001 |
130 |
554 |
|
|
8 |
A' |
436 |
432 |
0.991 |
130 |
555 |
|
|
9 |
A' |
374 |
370 |
0.989 |
130 |
556 |
|
|
10 |
A" |
874 |
836 |
0.956 |
130 |
557 |
|
|
11 |
A" |
732 |
700 |
0.956 |
130 |
558 |
|
|
12 |
A" |
541 |
515 |
0.951 |
130 |
559 |
CF2CCl2 |
difluorodichloroethylene |
1 |
A1 |
1791 |
1749 |
0.977 |
131 |
560 |
|
|
2 |
A1 |
1049 |
1032 |
0.984 |
131 |
561 |
|
|
3 |
A1 |
635 |
622 |
0.980 |
131 |
562 |
|
|
4 |
A1 |
438 |
434 |
0.990 |
131 |
563 |
|
|
5 |
A1 |
258 |
258 |
0.999 |
131 |
564 |
|
|
6 |
A2 |
156 |
167 |
1.069 |
131 |
565 |
|
|
7 |
B1 |
606 |
564 |
0.930 |
131 |
566 |
|
|
8 |
B1 |
328 |
323 |
0.984 |
131 |
567 |
|
|
9 |
B2 |
1342 |
1327 |
0.989 |
131 |
568 |
|
|
10 |
B2 |
984 |
989 |
1.005 |
131 |
569 |
|
|
11 |
B2 |
462 |
459 |
0.994 |
131 |
570 |
|
|
12 |
B2 |
187 |
192 |
1.025 |
131 |
571 |
CFClCFCl |
cis-1,2-dichloro-1,2-difluoroethylene |
1 |
A1 |
1761 |
1709 |
0.971 |
132 |
572 |
|
|
2 |
A1 |
1177 |
1168 |
0.992 |
132 |
573 |
|
|
3 |
A1 |
570 |
565 |
0.991 |
132 |
574 |
|
|
4 |
A1 |
334 |
327 |
0.980 |
132 |
575 |
|
|
5 |
A1 |
169 |
169 |
0.998 |
132 |
576 |
|
|
6 |
A2 |
566 |
|
|
132 |
577 |
|
|
7 |
A2 |
149 |
150 |
1.008 |
132 |
578 |
|
|
8 |
B1 |
348 |
|
|
132 |
579 |
|
|
9 |
B2 |
1217 |
1209 |
0.994 |
132 |
580 |
|
|
10 |
B2 |
968 |
958 |
0.990 |
132 |
581 |
|
|
11 |
B2 |
435 |
431 |
0.991 |
132 |
582 |
|
|
12 |
B2 |
419 |
415 |
0.991 |
132 |
583 |
CFClCClF |
trans-1,2-dichloro-1,2-difluoroethylene |
1 |
Ag |
1769 |
1707 |
0.965 |
133 |
584 |
|
|
2 |
Ag |
1201 |
1186 |
0.988 |
133 |
585 |
|
|
3 |
Ag |
644 |
632 |
0.981 |
133 |
586 |
|
|
4 |
Ag |
429 |
425 |
0.990 |
133 |
587 |
|
|
5 |
Ag |
291 |
288 |
0.989 |
133 |
588 |
|
|
6 |
Au |
371 |
333 |
0.898 |
133 |
589 |
|
|
7 |
Au |
135 |
140 |
1.036 |
133 |
590 |
|
|
8 |
Bg |
561 |
529 |
0.943 |
133 |
591 |
|
|
9 |
Bu |
1236 |
1190 |
0.963 |
133 |
592 |
|
|
10 |
Bu |
886 |
892 |
1.007 |
133 |
593 |
|
|
11 |
Bu |
428 |
426 |
0.994 |
133 |
594 |
|
|
12 |
Bu |
178 |
175 |
0.983 |
133 |
595 |
CHBrCHBr |
Ethene, 1,2-dibromo-, (Z)- |
1 |
A1 |
3245 |
3060 |
0.943 |
134 |
596 |
|
|
2 |
A1 |
1628 |
1584 |
0.973 |
134 |
597 |
|
|
8 |
B1 |
698 |
3079 |
4.408 |
134 |
598 |
CHBrCHBr |
Ethene, 1,2-dibromo-, (E)- |
1 |
Ag |
3256 |
3089 |
0.949 |
135 |
599 |
|
|
2 |
Ag |
1627 |
1581 |
0.972 |
135 |
600 |
|
|
9 |
Bu |
3252 |
3098 |
0.953 |
135 |
601 |
C2H5 |
Ethyl radical |
1 |
A' |
3182 |
3033 |
0.953 |
136 |
602 |
|
|
2 |
A' |
3074 |
2842 |
0.925 |
136 |
603 |
|
|
5 |
A' |
1487 |
1440 |
0.968 |
136 |
604 |
|
|
6 |
A' |
1415 |
1366 |
0.965 |
136 |
605 |
|
|
7 |
A' |
1076 |
1138 |
1.058 |
136 |
606 |
|
|
9 |
A' |
486 |
528 |
1.087 |
136 |
607 |
|
|
10 |
A" |
3278 |
3112 |
0.949 |
136 |
608 |
|
|
11 |
A" |
3116 |
2987 |
0.958 |
136 |
609 |
|
|
12 |
A" |
1500 |
1440 |
0.960 |
136 |
610 |
|
|
13 |
A" |
1209 |
1175 |
0.972 |
136 |
611 |
CH2CCH2 |
allene |
1 |
A1 |
3159 |
3015 |
0.954 |
137 |
612 |
|
|
2 |
A1 |
1495 |
1443 |
0.965 |
137 |
613 |
|
|
3 |
A1 |
1107 |
1073 |
0.969 |
137 |
614 |
|
|
4 |
B1 |
892 |
865 |
0.970 |
137 |
615 |
|
|
5 |
B2 |
3157 |
3007 |
0.953 |
137 |
616 |
|
|
6 |
B2 |
2046 |
1957 |
0.956 |
137 |
617 |
|
|
7 |
B2 |
1442 |
1398 |
0.970 |
137 |
618 |
|
|
8 |
E |
3232 |
3086 |
0.955 |
137 |
619 |
|
|
9 |
E |
1025 |
999 |
0.974 |
137 |
620 |
|
|
10 |
E |
878 |
841 |
0.958 |
137 |
621 |
|
|
11 |
E |
368 |
355 |
0.963 |
137 |
622 |
CH3NH2 |
methyl amine |
1 |
A' |
3523 |
3361 |
0.954 |
138 |
623 |
|
|
2 |
A' |
3090 |
2961 |
0.958 |
138 |
624 |
|
|
3 |
A' |
3003 |
2820 |
0.939 |
138 |
625 |
|
|
4 |
A' |
1674 |
1623 |
0.969 |
138 |
626 |
|
|
5 |
A' |
1517 |
1473 |
0.971 |
138 |
627 |
|
|
6 |
A' |
1471 |
1430 |
0.972 |
138 |
628 |
|
|
7 |
A' |
1186 |
1130 |
0.953 |
138 |
629 |
|
|
8 |
A' |
1069 |
1044 |
0.977 |
138 |
630 |
|
|
9 |
A' |
857 |
780 |
0.910 |
138 |
631 |
|
|
10 |
A" |
3603 |
3427 |
0.951 |
138 |
632 |
|
|
11 |
A" |
3124 |
2985 |
0.955 |
138 |
633 |
|
|
12 |
A" |
1537 |
1485 |
0.966 |
138 |
634 |
|
|
13 |
A" |
1361 |
1335 |
0.981 |
138 |
635 |
|
|
14 |
A" |
982 |
|
|
138 |
636 |
|
|
15 |
A" |
307 |
268 |
0.872 |
138 |
637 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3168 |
3014 |
0.951 |
139 |
638 |
|
|
2 |
A' |
3054 |
2923 |
0.957 |
139 |
639 |
|
|
3 |
A' |
2914 |
2716 |
0.932 |
139 |
640 |
|
|
4 |
A' |
1799 |
1743 |
0.969 |
139 |
641 |
|
|
5 |
A' |
1476 |
1433 |
0.971 |
139 |
642 |
|
|
6 |
A' |
1438 |
1395 |
0.970 |
139 |
643 |
|
|
7 |
A' |
1392 |
1352 |
0.971 |
139 |
644 |
|
|
8 |
A' |
1141 |
1114 |
0.976 |
139 |
645 |
|
|
9 |
A' |
898 |
867 |
0.966 |
139 |
646 |
|
|
10 |
A' |
510 |
509 |
0.998 |
139 |
647 |
|
|
11 |
A" |
3111 |
2964 |
0.953 |
139 |
648 |
|
|
12 |
A" |
1488 |
1431 |
0.962 |
139 |
649 |
|
|
13 |
A" |
1146 |
1102 |
0.962 |
139 |
650 |
|
|
14 |
A" |
785 |
764 |
0.974 |
139 |
651 |
|
|
15 |
A" |
163 |
150 |
0.921 |
139 |
652 |
C2H4S |
Thiirane |
1 |
A1 |
3156 |
3014 |
0.955 |
140 |
653 |
|
|
2 |
A1 |
1510 |
1457 |
0.965 |
140 |
654 |
|
|
5 |
A1 |
635 |
627 |
0.988 |
140 |
655 |
|
|
11 |
B1 |
842 |
824 |
0.979 |
140 |
656 |
|
|
12 |
B2 |
3154 |
3013 |
0.955 |
140 |
657 |
|
|
14 |
B2 |
1084 |
1051 |
0.969 |
140 |
658 |
F2CCCF2 |
tetrafluoroallene |
1 |
A1 |
1590 |
1560 |
0.981 |
141 |
659 |
|
|
2 |
A1 |
742 |
734 |
0.990 |
141 |
660 |
|
|
3 |
A1 |
396 |
398 |
1.005 |
141 |
661 |
|
|
4 |
B1 |
156 |
165 |
1.056 |
141 |
662 |
|
|
5 |
B2 |
2135 |
2052 |
0.961 |
141 |
663 |
|
|
6 |
B2 |
1056 |
1030 |
0.975 |
141 |
664 |
|
|
7 |
B2 |
589 |
581 |
0.987 |
141 |
665 |
|
|
8 |
E |
1259 |
1248 |
0.991 |
141 |
666 |
|
|
9 |
E |
647 |
613 |
0.948 |
141 |
667 |
|
|
10 |
E |
558 |
550 |
0.985 |
141 |
668 |
|
|
11 |
E |
87 |
90 |
1.036 |
141 |
669 |
CH2ClCCCl |
1,3-dichloropropyne |
1 |
A' |
3108 |
2957 |
0.951 |
142 |
670 |
|
|
2 |
A' |
2309 |
2261 |
0.979 |
142 |
671 |
|
|
3 |
A' |
1491 |
1433 |
0.961 |
142 |
672 |
|
|
4 |
A' |
1298 |
1264 |
0.974 |
142 |
673 |
|
|
5 |
A' |
1127 |
1098 |
0.975 |
142 |
674 |
|
|
6 |
A' |
716 |
709 |
0.990 |
142 |
675 |
|
|
7 |
A' |
629 |
617 |
0.981 |
142 |
676 |
|
|
8 |
A' |
442 |
424 |
0.960 |
142 |
677 |
|
|
9 |
A' |
292 |
282 |
0.967 |
142 |
678 |
|
|
10 |
A' |
94 |
89 |
0.951 |
142 |
679 |
|
|
11 |
A" |
3155 |
2994 |
0.949 |
142 |
680 |
|
|
12 |
A" |
1207 |
1172 |
0.971 |
142 |
681 |
|
|
13 |
A" |
925 |
904 |
0.977 |
142 |
682 |
|
|
14 |
A" |
371 |
337 |
0.908 |
142 |
683 |
|
|
15 |
A" |
183 |
176 |
0.961 |
142 |
684 |
B2H6 |
Diborane |
1 |
Ag |
2652 |
2530 |
0.954 |
143 |
685 |
|
|
2 |
Ag |
2205 |
2088 |
0.947 |
143 |
686 |
|
|
3 |
Ag |
1224 |
1183 |
0.967 |
143 |
687 |
|
|
4 |
Ag |
817 |
790 |
0.966 |
143 |
688 |
|
|
5 |
Au |
869 |
833 |
0.959 |
143 |
689 |
|
|
6 |
B1g |
2730 |
2596 |
0.951 |
143 |
690 |
|
|
7 |
B1g |
949 |
915 |
0.965 |
143 |
691 |
|
|
8 |
B1u |
2026 |
1930 |
0.953 |
143 |
692 |
|
|
9 |
B1u |
1002 |
973 |
0.970 |
143 |
693 |
|
|
10 |
B2g |
1897 |
1760 |
0.928 |
143 |
694 |
|
|
11 |
B2g |
908 |
860 |
0.948 |
143 |
695 |
|
|
12 |
B2u |
2744 |
2609 |
0.951 |
143 |
696 |
|
|
13 |
B2u |
975 |
949 |
0.973 |
143 |
697 |
|
|
14 |
B2u |
370 |
369 |
0.997 |
143 |
698 |
|
|
15 |
B3g |
1065 |
1020 |
0.958 |
143 |
699 |
|
|
16 |
B3u |
2637 |
2520 |
0.955 |
143 |
700 |
|
|
17 |
B3u |
1750 |
1603 |
0.916 |
143 |
701 |
|
|
18 |
B3u |
1214 |
1172 |
0.966 |
143 |
702 |
C2H6 |
Ethane |
1 |
A1g |
3059 |
2954 |
0.966 |
144 |
703 |
|
|
2 |
A1g |
1437 |
1388 |
0.966 |
144 |
704 |
|
|
3 |
A1g |
1012 |
995 |
0.983 |
144 |
705 |
|
|
4 |
A1u |
317 |
289 |
0.910 |
144 |
706 |
|
|
5 |
A2u |
3060 |
2896 |
0.947 |
144 |
707 |
|
|
6 |
A2u |
1422 |
1379 |
0.970 |
144 |
708 |
|
|
7 |
Eg |
3107 |
2969 |
0.955 |
144 |
709 |
|
|
8 |
Eg |
1522 |
1468 |
0.965 |
144 |
710 |
|
|
9 |
Eg |
1235 |
1190 |
0.964 |
144 |
711 |
|
|
10 |
Eu |
3132 |
2985 |
0.953 |
144 |
712 |
|
|
11 |
Eu |
1524 |
1469 |
0.964 |
144 |
713 |
|
|
12 |
Eu |
832 |
822 |
0.988 |
144 |
714 |
Si2H6 |
disilane |
1 |
A1g |
2247 |
2152 |
0.958 |
145 |
715 |
|
|
2 |
A1g |
937 |
909 |
0.970 |
145 |
716 |
|
|
3 |
A1g |
434 |
434 |
1.001 |
145 |
717 |
|
|
4 |
A1u |
138 |
131 |
0.946 |
145 |
718 |
|
|
5 |
A2u |
2239 |
2154 |
0.962 |
145 |
719 |
|
|
6 |
A2u |
862 |
844 |
0.978 |
145 |
720 |
|
|
7 |
Eg |
2249 |
2155 |
0.958 |
145 |
721 |
|
|
8 |
Eg |
958 |
929 |
0.970 |
145 |
722 |
|
|
9 |
Eg |
639 |
625 |
0.978 |
145 |
723 |
|
|
10 |
Eu |
2258 |
2179 |
0.965 |
145 |
724 |
|
|
11 |
Eu |
972 |
940 |
0.967 |
145 |
725 |
|
|
12 |
Eu |
374 |
379 |
1.015 |
145 |
726 |
BH3NH3 |
borane ammonia |
1 |
A1 |
3486 |
3337 |
0.957 |
146 |
727 |
|
|
2 |
A1 |
2474 |
2299 |
0.929 |
146 |
728 |
|
|
3 |
A1 |
1340 |
1289 |
0.961 |
146 |
729 |
|
|
4 |
A1 |
1210 |
1178 |
0.973 |
146 |
730 |
|
|
5 |
A1 |
665 |
603 |
0.907 |
146 |
731 |
|
|
7 |
E |
3596 |
3418 |
0.950 |
146 |
732 |
|
|
8 |
E |
2527 |
2406 |
0.952 |
146 |
733 |
|
|
9 |
E |
1682 |
1611 |
0.958 |
146 |
734 |
|
|
10 |
E |
1214 |
1186 |
0.977 |
146 |
735 |
|
|
11 |
E |
1079 |
1042 |
0.966 |
146 |
736 |
BH3PH3 |
borane phosphine |
1 |
A1 |
2501 |
2401 |
0.960 |
147 |
737 |
|
|
2 |
A1 |
2487 |
2363 |
0.950 |
147 |
738 |
|
|
3 |
A1 |
1115 |
1069 |
0.959 |
147 |
739 |
|
|
4 |
A1 |
1034 |
978 |
0.946 |
147 |
740 |
|
|
5 |
A1 |
531 |
572 |
1.077 |
147 |
741 |
|
|
7 |
E |
2566 |
2426 |
0.945 |
147 |
742 |
|
|
8 |
E |
2511 |
2408 |
0.959 |
147 |
743 |
|
|
9 |
E |
1177 |
1144 |
0.972 |
147 |
744 |
|
|
10 |
E |
1147 |
1102 |
0.961 |
147 |
745 |
|
|
11 |
E |
848 |
826 |
0.973 |
147 |
746 |
|
|
12 |
E |
388 |
447 |
1.152 |
147 |
747 |
CH2FCH2Cl |
Ethane, 1-chloro-2-fluoro- |
1 |
A |
3168 |
3025 |
0.955 |
148 |
748 |
|
|
1 |
A' |
3123 |
2984 |
0.956 |
148 |
749 |
|
|
2 |
A' |
3089 |
2966 |
0.960 |
148 |
750 |
|
|
2 |
A |
3123 |
2988 |
0.957 |
148 |
751 |
|
|
3 |
A |
3108 |
2978 |
0.958 |
148 |
752 |
|
|
3 |
A' |
1537 |
1467 |
0.954 |
148 |
753 |
|
|
4 |
A' |
1512 |
1436 |
0.949 |
148 |
754 |
|
|
4 |
A |
3061 |
2966 |
0.969 |
148 |
755 |
|
|
5 |
A |
1518 |
1467 |
0.967 |
148 |
756 |
|
|
5 |
A' |
1432 |
1397 |
0.976 |
148 |
757 |
|
|
6 |
A' |
1291 |
1306 |
1.011 |
148 |
758 |
|
|
6 |
A |
1482 |
1436 |
0.969 |
148 |
759 |
|
|
7 |
A |
1439 |
1387 |
0.964 |
148 |
760 |
|
|
7 |
A' |
1090 |
1090 |
1.000 |
148 |
761 |
|
|
8 |
A' |
1059 |
1052 |
0.993 |
148 |
762 |
|
|
8 |
A |
1344 |
1306 |
0.971 |
148 |
763 |
|
|
9 |
A |
1287 |
1258 |
0.978 |
148 |
764 |
|
|
9 |
A' |
780 |
779 |
0.999 |
148 |
765 |
|
|
10 |
A' |
385 |
383 |
0.994 |
148 |
766 |
|
|
10 |
A |
1231 |
1200 |
0.975 |
148 |
767 |
|
|
11 |
A |
1118 |
1071 |
0.958 |
148 |
768 |
|
|
11 |
A' |
242 |
245 |
1.011 |
148 |
769 |
|
|
12 |
A" |
3183 |
3025 |
0.950 |
148 |
770 |
|
|
12 |
A |
1069 |
1038 |
0.971 |
148 |
771 |
|
|
13 |
A |
985 |
964 |
0.979 |
148 |
772 |
|
|
13 |
A" |
3139 |
3010 |
0.959 |
148 |
773 |
|
|
14 |
A" |
1317 |
1258 |
0.955 |
148 |
774 |
|
|
14 |
A |
863 |
847 |
0.981 |
148 |
775 |
|
|
15 |
A |
685 |
688 |
1.004 |
148 |
776 |
|
|
15 |
A" |
1231 |
1200 |
0.975 |
148 |
777 |
|
|
16 |
A" |
1070 |
964 |
0.901 |
148 |
778 |
|
|
16 |
A |
469 |
467 |
0.995 |
148 |
779 |
|
|
17 |
A |
287 |
286 |
0.995 |
148 |
780 |
|
|
17 |
A" |
806 |
847 |
1.051 |
148 |
781 |
|
|
18 |
A" |
131 |
138 |
1.052 |
148 |
782 |
|
|
18 |
A |
133 |
128 |
0.966 |
148 |
783 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3682 |
3517 |
0.955 |
149 |
784 |
|
|
2 |
A' |
3302 |
3143 |
0.952 |
149 |
785 |
|
|
3 |
A' |
3274 |
3123 |
0.954 |
149 |
786 |
|
|
4 |
A' |
3271 |
3110 |
0.951 |
149 |
787 |
|
|
5 |
A' |
1559 |
1448 |
0.929 |
149 |
788 |
|
|
6 |
A' |
1511 |
1404 |
0.929 |
149 |
789 |
|
|
7 |
A' |
1444 |
1328 |
0.920 |
149 |
790 |
|
|
8 |
A' |
1372 |
1265 |
0.922 |
149 |
791 |
|
|
9 |
A' |
1292 |
1188 |
0.919 |
149 |
792 |
|
|
10 |
A' |
1168 |
1098 |
0.940 |
149 |
793 |
|
|
11 |
A' |
1154 |
1062 |
0.920 |
149 |
794 |
|
|
12 |
A' |
1102 |
1013 |
0.919 |
149 |
795 |
|
|
13 |
A' |
1082 |
988 |
0.913 |
149 |
796 |
|
|
14 |
A' |
947 |
923 |
0.975 |
149 |
797 |
|
|
15 |
A' |
909 |
898 |
0.988 |
149 |
798 |
|
|
16 |
A" |
883 |
831 |
0.941 |
149 |
799 |
|
|
17 |
A" |
831 |
758 |
0.912 |
149 |
800 |
|
|
18 |
A" |
743 |
674 |
0.907 |
149 |
801 |
|
|
19 |
A" |
687 |
663 |
0.965 |
149 |
802 |
|
|
20 |
A" |
652 |
621 |
0.952 |
149 |
803 |
|
|
21 |
A" |
534 |
539 |
1.010 |
149 |
804 |
CH3CH2OH |
Ethanol |
1 |
A' |
3857 |
3653 |
0.947 |
150 |
805 |
|
|
2 |
A' |
3135 |
2984 |
0.952 |
150 |
806 |
|
|
3 |
A' |
3065 |
2939 |
0.959 |
150 |
807 |
|
|
4 |
A' |
3013 |
2900 |
0.962 |
150 |
808 |
|
|
5 |
A' |
1548 |
1490 |
0.963 |
150 |
809 |
|
|
6 |
A' |
1519 |
1464 |
0.964 |
150 |
810 |
|
|
7 |
A' |
1469 |
1412 |
0.961 |
150 |
811 |
|
|
8 |
A' |
1417 |
1371 |
0.968 |
150 |
812 |
|
|
9 |
A' |
1282 |
1256 |
0.980 |
150 |
813 |
|
|
10 |
A' |
1117 |
1091 |
0.977 |
150 |
814 |
|
|
11 |
A' |
1047 |
1028 |
0.982 |
150 |
815 |
|
|
12 |
A' |
911 |
888 |
0.975 |
150 |
816 |
|
|
13 |
A' |
419 |
417 |
0.993 |
150 |
817 |
|
|
14 |
A" |
3140 |
2991 |
0.953 |
150 |
818 |
|
|
15 |
A" |
3038 |
2910 |
0.958 |
150 |
819 |
|
|
16 |
A" |
1500 |
1446 |
0.964 |
150 |
820 |
|
|
17 |
A" |
1315 |
1275 |
0.970 |
150 |
821 |
|
|
18 |
A" |
1194 |
1161 |
0.973 |
150 |
822 |
|
|
19 |
A" |
829 |
812 |
0.980 |
150 |
823 |
|
|
20 |
A" |
286 |
251 |
0.879 |
150 |
824 |
|
|
21 |
A" |
246 |
200 |
0.814 |
150 |
825 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3144 |
2996 |
0.953 |
151 |
826 |
|
|
2 |
A1 |
3003 |
2817 |
0.938 |
151 |
827 |
|
|
3 |
A1 |
1534 |
1464 |
0.954 |
151 |
828 |
|
|
4 |
A1 |
1504 |
1452 |
0.966 |
151 |
829 |
|
|
5 |
A1 |
1279 |
1244 |
0.972 |
151 |
830 |
|
|
6 |
A1 |
953 |
928 |
0.974 |
151 |
831 |
|
|
7 |
A1 |
415 |
418 |
1.007 |
151 |
832 |
|
|
8 |
A2 |
3045 |
2952 |
0.970 |
151 |
833 |
|
|
9 |
A2 |
1500 |
1464 |
0.976 |
151 |
834 |
|
|
10 |
A2 |
1175 |
1150 |
0.979 |
151 |
835 |
|
|
11 |
A2 |
211 |
203 |
0.963 |
151 |
836 |
|
|
12 |
B1 |
3039 |
2925 |
0.962 |
151 |
837 |
|
|
13 |
B1 |
1509 |
1464 |
0.970 |
151 |
838 |
|
|
14 |
B1 |
1206 |
1179 |
0.978 |
151 |
839 |
|
|
15 |
B1 |
249 |
242 |
0.972 |
151 |
840 |
|
|
16 |
B2 |
3142 |
2996 |
0.953 |
151 |
841 |
|
|
17 |
B2 |
2993 |
2817 |
0.941 |
151 |
842 |
|
|
18 |
B2 |
1517 |
1464 |
0.965 |
151 |
843 |
|
|
19 |
B2 |
1471 |
1452 |
0.987 |
151 |
844 |
|
|
20 |
B2 |
1209 |
1227 |
1.015 |
151 |
845 |
|
|
21 |
B2 |
1130 |
1102 |
0.975 |
151 |
846 |
CH3COCCH |
3-butyn-2-one |
1 |
A' |
3484 |
|
|
152 |
847 |
|
|
2 |
A' |
3172 |
|
|
152 |
848 |
|
|
3 |
A' |
3063 |
|
|
152 |
849 |
|
|
4 |
A' |
2163 |
|
|
152 |
850 |
|
|
5 |
A' |
1743 |
|
|
152 |
851 |
|
|
6 |
A' |
1477 |
|
|
152 |
852 |
|
|
7 |
A' |
1400 |
|
|
152 |
853 |
|
|
8 |
A' |
1220 |
|
|
152 |
854 |
|
|
9 |
A' |
989 |
|
|
152 |
855 |
|
|
10 |
A' |
748 |
|
|
152 |
856 |
|
|
11 |
A' |
674 |
|
|
152 |
857 |
|
|
12 |
A' |
600 |
|
|
152 |
858 |
|
|
13 |
A' |
440 |
|
|
152 |
859 |
|
|
14 |
A' |
176 |
|
|
152 |
860 |
|
|
15 |
A" |
3125 |
|
|
152 |
861 |
|
|
16 |
A" |
1486 |
|
|
152 |
862 |
|
|
17 |
A" |
1052 |
|
|
152 |
863 |
|
|
18 |
A" |
728 |
|
|
152 |
864 |
|
|
19 |
A" |
601 |
|
|
152 |
865 |
|
|
20 |
A" |
241 |
|
|
152 |
866 |
CH3SeCH3 |
dimethylselenide |
1 |
A1 |
3166 |
2992 |
0.945 |
153 |
867 |
|
|
2 |
A1 |
3071 |
2920 |
0.951 |
153 |
868 |
|
|
3 |
A1 |
1496 |
1423 |
0.951 |
153 |
869 |
|
|
4 |
A1 |
1335 |
1284 |
0.962 |
153 |
870 |
|
|
5 |
A1 |
985 |
954 |
0.968 |
153 |
871 |
|
|
6 |
A1 |
600 |
589 |
0.981 |
153 |
872 |
|
|
7 |
A1 |
211 |
233 |
1.104 |
153 |
873 |
|
|
8 |
A2 |
3163 |
2996 |
0.947 |
153 |
874 |
|
|
9 |
A2 |
1477 |
1424 |
0.964 |
153 |
875 |
|
|
10 |
A2 |
904 |
890 |
0.984 |
153 |
876 |
|
|
12 |
B1 |
3156 |
2992 |
0.948 |
153 |
877 |
|
|
13 |
B1 |
1485 |
1423 |
0.958 |
153 |
878 |
|
|
14 |
B1 |
934 |
908 |
0.972 |
153 |
879 |
|
|
16 |
B2 |
3167 |
2992 |
0.945 |
153 |
880 |
|
|
17 |
B2 |
3075 |
2920 |
0.950 |
153 |
881 |
|
|
18 |
B2 |
1489 |
1423 |
0.955 |
153 |
882 |
|
|
19 |
B2 |
1313 |
1263 |
0.962 |
153 |
883 |
|
|
20 |
B2 |
865 |
857 |
0.990 |
153 |
884 |
|
|
21 |
B2 |
617 |
604 |
0.979 |
153 |
885 |
C4H6 |
Bicyclo[1.1.0]butane |
1 |
A1 |
3278 |
3131 |
0.955 |
154 |
886 |
|
|
2 |
A1 |
3190 |
3044 |
0.954 |
154 |
887 |
|
|
3 |
A1 |
3086 |
2935 |
0.951 |
154 |
888 |
|
|
4 |
A1 |
1544 |
1501 |
0.972 |
154 |
889 |
|
|
5 |
A1 |
1306 |
1266 |
0.969 |
154 |
890 |
|
|
6 |
A1 |
1120 |
1081 |
0.965 |
154 |
891 |
|
|
7 |
A1 |
877 |
839 |
0.956 |
154 |
892 |
|
|
8 |
A1 |
695 |
657 |
0.945 |
154 |
893 |
|
|
9 |
A1 |
429 |
423 |
0.985 |
154 |
894 |
|
|
10 |
A2 |
1193 |
1172 |
0.983 |
154 |
895 |
|
|
11 |
A2 |
1096 |
1063 |
0.970 |
154 |
896 |
|
|
12 |
A2 |
932 |
909 |
0.975 |
154 |
897 |
|
|
13 |
A2 |
860 |
838 |
0.974 |
154 |
898 |
|
|
14 |
B1 |
3266 |
3120 |
0.955 |
154 |
899 |
|
|
15 |
B1 |
1177 |
1110 |
0.943 |
154 |
900 |
|
|
16 |
B1 |
1149 |
1092 |
0.950 |
154 |
901 |
|
|
17 |
B1 |
1019 |
980 |
0.961 |
154 |
902 |
|
|
18 |
B1 |
754 |
737 |
0.977 |
154 |
903 |
|
|
19 |
B2 |
3192 |
3044 |
0.953 |
154 |
904 |
|
|
20 |
B2 |
3091 |
2969 |
0.960 |
154 |
905 |
|
|
21 |
B2 |
1507 |
1485 |
0.985 |
154 |
906 |
|
|
22 |
B2 |
1325 |
1261 |
0.952 |
154 |
907 |
|
|
23 |
B2 |
1115 |
1081 |
0.970 |
154 |
908 |
|
|
24 |
B2 |
961 |
935 |
0.973 |
154 |
909 |
CH3PHCH3 |
dimethylphosphine |
1 |
A' |
3137 |
2975 |
0.948 |
155 |
910 |
|
|
2 |
A' |
3132 |
2975 |
0.950 |
155 |
911 |
|
|
3 |
A' |
3055 |
2918 |
0.955 |
155 |
912 |
|
|
4 |
A' |
2395 |
2288 |
0.955 |
155 |
913 |
|
|
5 |
A' |
1494 |
1447 |
0.969 |
155 |
914 |
|
|
6 |
A' |
1493 |
1434 |
0.960 |
155 |
915 |
|
|
7 |
A' |
1343 |
1297 |
0.966 |
155 |
916 |
|
|
8 |
A' |
1021 |
1007 |
0.986 |
155 |
917 |
|
|
9 |
A' |
973 |
986 |
1.013 |
155 |
918 |
|
|
10 |
A' |
726 |
714 |
0.983 |
155 |
919 |
|
|
11 |
A' |
666 |
660 |
0.991 |
155 |
920 |
|
|
12 |
A' |
258 |
261 |
1.013 |
155 |
921 |
|
|
13 |
A' |
195 |
191 |
0.982 |
155 |
922 |
|
|
14 |
A" |
3138 |
2985 |
0.951 |
155 |
923 |
|
|
15 |
A" |
3133 |
2985 |
0.953 |
155 |
924 |
|
|
16 |
A" |
3058 |
2923 |
0.956 |
155 |
925 |
|
|
17 |
A" |
1486 |
1443 |
0.971 |
155 |
926 |
|
|
18 |
A" |
1480 |
1423 |
0.962 |
155 |
927 |
|
|
19 |
A" |
1327 |
1284 |
0.968 |
155 |
928 |
|
|
20 |
A" |
1039 |
1012 |
0.974 |
155 |
929 |
|
|
21 |
A" |
838 |
818 |
0.976 |
155 |
930 |
|
|
22 |
A" |
733 |
725 |
0.989 |
155 |
931 |
|
|
23 |
A" |
712 |
703 |
0.988 |
155 |
932 |
|
|
24 |
A" |
186 |
184 |
0.989 |
155 |
933 |
CH3CH2CHO |
Propanal |
1 |
A' |
3142 |
2981 |
0.949 |
156 |
934 |
|
|
2 |
A' |
3074 |
2904 |
0.945 |
156 |
935 |
|
|
3 |
A' |
3037 |
2895 |
0.953 |
156 |
936 |
|
|
4 |
A' |
2911 |
2809 |
0.965 |
156 |
937 |
|
|
5 |
A' |
1792 |
1743 |
0.973 |
156 |
938 |
|
|
6 |
A' |
1518 |
1460 |
0.962 |
156 |
939 |
|
|
7 |
A' |
1467 |
1416 |
0.965 |
156 |
940 |
|
|
8 |
A' |
1437 |
1390 |
0.968 |
156 |
941 |
|
|
9 |
A' |
1423 |
1376 |
0.967 |
156 |
942 |
|
|
10 |
A' |
1380 |
1335 |
0.968 |
156 |
943 |
|
|
11 |
A' |
1124 |
1093 |
0.973 |
156 |
944 |
|
|
12 |
A' |
1014 |
993 |
0.979 |
156 |
945 |
|
|
13 |
A' |
864 |
848 |
0.981 |
156 |
946 |
|
|
14 |
A' |
676 |
668 |
0.988 |
156 |
947 |
|
|
15 |
A' |
258 |
271 |
1.052 |
156 |
948 |
|
|
16 |
A" |
3144 |
2992 |
0.952 |
156 |
949 |
|
|
17 |
A" |
3058 |
2942 |
0.962 |
156 |
950 |
|
|
18 |
A" |
1512 |
1451 |
0.960 |
156 |
951 |
|
|
19 |
A" |
1294 |
1250 |
0.966 |
156 |
952 |
|
|
20 |
A" |
1158 |
1118 |
0.965 |
156 |
953 |
|
|
21 |
A" |
914 |
892 |
0.976 |
156 |
954 |
|
|
22 |
A" |
678 |
660 |
0.974 |
156 |
955 |
|
|
23 |
A" |
237 |
220 |
0.927 |
156 |
956 |
|
|
24 |
A" |
141 |
135 |
0.955 |
156 |
957 |
C3H6O |
Oxetane |
1 |
A1 |
3109 |
2959 |
0.952 |
157 |
958 |
|
|
2 |
A1 |
3057 |
2930 |
0.958 |
157 |
959 |
|
|
3 |
A1 |
1562 |
1473 |
0.943 |
157 |
960 |
|
|
4 |
A1 |
1511 |
1461 |
0.967 |
157 |
961 |
|
|
5 |
A1 |
1390 |
1342 |
0.965 |
157 |
962 |
|
|
6 |
A1 |
1053 |
1134 |
1.077 |
157 |
963 |
|
|
7 |
A1 |
930 |
1018 |
1.095 |
157 |
964 |
|
|
8 |
A1 |
815 |
908 |
1.114 |
157 |
965 |
|
|
9 |
A2 |
3092 |
3000 |
0.970 |
157 |
966 |
|
|
10 |
A2 |
1250 |
1283 |
1.027 |
157 |
967 |
|
|
11 |
A2 |
1176 |
1185 |
1.008 |
157 |
968 |
|
|
12 |
A2 |
846 |
986 |
1.166 |
157 |
969 |
|
|
13 |
B1 |
3160 |
3007 |
0.952 |
157 |
970 |
|
|
14 |
B1 |
3089 |
2940 |
0.952 |
157 |
971 |
|
|
15 |
B1 |
1211 |
1225 |
1.012 |
157 |
972 |
|
|
16 |
B1 |
1159 |
1142 |
0.985 |
157 |
973 |
|
|
17 |
B1 |
775 |
836 |
1.079 |
157 |
974 |
|
|
18 |
B1 |
30 |
90 |
3.016 |
157 |
975 |
|
|
19 |
B2 |
3049 |
2966 |
0.973 |
157 |
976 |
|
|
20 |
B2 |
1534 |
1508 |
0.983 |
157 |
977 |
|
|
21 |
B2 |
1327 |
1458 |
1.099 |
157 |
978 |
|
|
22 |
B2 |
1274 |
1363 |
1.070 |
157 |
979 |
|
|
23 |
B2 |
1038 |
1228 |
1.183 |
157 |
980 |
|
|
24 |
B2 |
953 |
936 |
0.982 |
157 |
981 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3164 |
3018 |
0.954 |
158 |
982 |
|
|
2 |
A |
3127 |
2985 |
0.955 |
158 |
983 |
|
|
3 |
A |
3085 |
2958 |
0.959 |
158 |
984 |
|
|
4 |
A |
3025 |
2945 |
0.974 |
158 |
985 |
|
|
5 |
A |
3022 |
2922 |
0.967 |
158 |
986 |
|
|
6 |
A |
2290 |
2245 |
0.980 |
158 |
987 |
|
|
7 |
A |
1526 |
1472 |
0.965 |
158 |
988 |
|
|
8 |
A |
1510 |
1452 |
0.962 |
158 |
989 |
|
|
9 |
A |
1497 |
1439 |
0.961 |
158 |
990 |
|
|
10 |
A |
1487 |
1431 |
0.962 |
158 |
991 |
|
|
11 |
A |
1401 |
1368 |
0.976 |
158 |
992 |
|
|
12 |
A |
1323 |
1287 |
0.973 |
158 |
993 |
|
|
13 |
A |
1227 |
1199 |
0.977 |
158 |
994 |
|
|
14 |
A |
1192 |
1161 |
0.974 |
158 |
995 |
|
|
15 |
A |
1158 |
1127 |
0.974 |
158 |
996 |
|
|
16 |
A |
1038 |
1016 |
0.978 |
158 |
997 |
|
|
17 |
A |
946 |
925 |
0.978 |
158 |
998 |
|
|
18 |
A |
903 |
890 |
0.986 |
158 |
999 |
|
|
19 |
A |
598 |
586 |
0.979 |
158 |
1000 |
|
|
20 |
A |
389 |
404 |
1.038 |
158 |
1001 |
|
|
21 |
A |
359 |
347 |
0.965 |
158 |
1002 |
|
|
22 |
A |
254 |
243 |
0.959 |
158 |
1003 |
|
|
23 |
A |
176 |
170 |
0.967 |
158 |
1004 |
|
|
24 |
A |
115 |
113 |
0.986 |
158 |
1005 |
CH3SO2NH2 |
methanesulfonamide |
1 |
A' |
3535 |
3245 |
0.918 |
159 |
1006 |
|
|
2 |
A' |
3189 |
3020 |
0.947 |
159 |
1007 |
|
|
3 |
A' |
3091 |
2940 |
0.951 |
159 |
1008 |
|
|
4 |
A' |
1596 |
1576 |
0.988 |
159 |
1009 |
|
|
5 |
A' |
1472 |
1419 |
0.964 |
159 |
1010 |
|
|
6 |
A' |
1361 |
1333 |
0.979 |
159 |
1011 |
|
|
7 |
A' |
1157 |
1145 |
0.989 |
159 |
1012 |
|
|
8 |
A' |
993 |
989 |
0.996 |
159 |
1013 |
|
|
9 |
A' |
886 |
881 |
0.994 |
159 |
1014 |
|
|
10 |
A' |
727 |
778 |
1.070 |
159 |
1015 |
|
|
11 |
A' |
672 |
689 |
1.026 |
159 |
1016 |
|
|
12 |
A' |
499 |
533 |
1.068 |
159 |
1017 |
|
|
13 |
A' |
477 |
493 |
1.034 |
159 |
1018 |
|
|
14 |
A' |
296 |
318 |
1.075 |
159 |
1019 |
|
|
15 |
A" |
3643 |
3320 |
0.911 |
159 |
1020 |
|
|
16 |
A" |
3198 |
3020 |
0.944 |
159 |
1021 |
|
|
18 |
A" |
1374 |
1315 |
0.957 |
159 |
1022 |
|
|
19 |
A" |
1098 |
1166 |
1.062 |
159 |
1023 |
|
|
20 |
A" |
978 |
960 |
0.981 |
159 |
1024 |
|
|
21 |
A" |
398 |
429 |
1.078 |
159 |
1025 |
C3H8 |
Propane |
1 |
A1 |
3119 |
2977 |
0.954 |
160 |
1026 |
|
|
2 |
A1 |
3051 |
2962 |
0.971 |
160 |
1027 |
|
|
3 |
A1 |
3049 |
2887 |
0.947 |
160 |
1028 |
|
|
4 |
A1 |
1530 |
1476 |
0.964 |
160 |
1029 |
|
|
5 |
A1 |
1508 |
1462 |
0.969 |
160 |
1030 |
|
|
6 |
A1 |
1434 |
1392 |
0.971 |
160 |
1031 |
|
|
7 |
A1 |
1190 |
1158 |
0.973 |
160 |
1032 |
|
|
8 |
A1 |
885 |
869 |
0.982 |
160 |
1033 |
|
|
9 |
A1 |
369 |
369 |
1.000 |
160 |
1034 |
|
|
10 |
A2 |
3106 |
2967 |
0.955 |
160 |
1035 |
|
|
11 |
A2 |
1508 |
1451 |
0.962 |
160 |
1036 |
|
|
12 |
A2 |
1331 |
1278 |
0.960 |
160 |
1037 |
|
|
13 |
A2 |
919 |
940 |
1.023 |
160 |
1038 |
|
|
14 |
A2 |
226 |
216 |
0.957 |
160 |
1039 |
|
|
15 |
B1 |
3117 |
2973 |
0.954 |
160 |
1040 |
|
|
16 |
B1 |
3070 |
2968 |
0.967 |
160 |
1041 |
|
|
17 |
B1 |
1525 |
1472 |
0.965 |
160 |
1042 |
|
|
18 |
B1 |
1227 |
1192 |
0.971 |
160 |
1043 |
|
|
19 |
B1 |
759 |
748 |
0.986 |
160 |
1044 |
|
|
20 |
B1 |
277 |
268 |
0.966 |
160 |
1045 |
|
|
21 |
B2 |
3117 |
2968 |
0.952 |
160 |
1046 |
|
|
22 |
B2 |
3048 |
2887 |
0.947 |
160 |
1047 |
|
|
23 |
B2 |
1514 |
1464 |
0.967 |
160 |
1048 |
|
|
24 |
B2 |
1417 |
1378 |
0.972 |
160 |
1049 |
|
|
25 |
B2 |
1381 |
1338 |
0.969 |
160 |
1050 |
|
|
26 |
B2 |
1073 |
1054 |
0.982 |
160 |
1051 |
|
|
27 |
B2 |
941 |
922 |
0.980 |
160 |
1052 |
C5H6 |
Propellane |
1 |
A1' |
3157 |
3029 |
0.959 |
161 |
1053 |
|
|
2 |
A1' |
1551 |
1502 |
0.969 |
161 |
1054 |
|
|
3 |
A1' |
1152 |
1124 |
0.976 |
161 |
1055 |
|
|
4 |
A1' |
923 |
908 |
0.984 |
161 |
1056 |
|
|
8 |
A2" |
1130 |
1124 |
0.995 |
161 |
1057 |
|
|
9 |
A2" |
622 |
615 |
0.990 |
161 |
1058 |
|
|
10 |
E' |
3238 |
3080 |
0.951 |
161 |
1059 |
|
|
11 |
E' |
3153 |
3020 |
0.958 |
161 |
1060 |
|
|
12 |
E' |
1505 |
1459 |
0.970 |
161 |
1061 |
|
|
13 |
E' |
1226 |
1186 |
0.967 |
161 |
1062 |
|
|
14 |
E' |
1110 |
1083 |
0.975 |
161 |
1063 |
|
|
15 |
E' |
534 |
529 |
0.991 |
161 |
1064 |
|
|
16 |
E" |
1159 |
1146 |
0.988 |
161 |
1065 |
|
|
17 |
E" |
1085 |
1064 |
0.980 |
161 |
1066 |
|
|
18 |
E" |
729 |
714 |
0.979 |
161 |
1067 |
CH3CHFCH3 |
2-Fluoropropane |
1 |
A' |
3144 |
2996 |
0.953 |
162 |
1068 |
|
|
2 |
A' |
3138 |
2989 |
0.953 |
162 |
1069 |
|
|
3 |
A' |
3066 |
2954 |
0.964 |
162 |
1070 |
|
|
4 |
A' |
3063 |
2932 |
0.957 |
162 |
1071 |
|
|
5 |
A' |
1526 |
1473 |
0.965 |
162 |
1072 |
|
|
6 |
A' |
1507 |
1465 |
0.972 |
162 |
1073 |
|
|
7 |
A' |
1429 |
1402 |
0.981 |
162 |
1074 |
|
|
8 |
A' |
1387 |
1338 |
0.965 |
162 |
1075 |
|
|
9 |
A' |
1211 |
1183 |
0.977 |
162 |
1076 |
|
|
10 |
A' |
1162 |
1149 |
0.989 |
162 |
1077 |
|
|
11 |
A' |
960 |
918 |
0.956 |
162 |
1078 |
|
|
12 |
A' |
832 |
817 |
0.982 |
162 |
1079 |
|
|
13 |
A' |
479 |
480 |
1.002 |
162 |
1080 |
|
|
14 |
A' |
355 |
357 |
1.006 |
162 |
1081 |
|
|
15 |
A' |
261 |
262 |
1.006 |
162 |
1082 |
|
|
16 |
A" |
3141 |
2996 |
0.954 |
162 |
1083 |
|
|
17 |
A" |
3130 |
2989 |
0.955 |
162 |
1084 |
|
|
18 |
A" |
3062 |
2932 |
0.958 |
162 |
1085 |
|
|
19 |
A" |
1503 |
1448 |
0.964 |
162 |
1086 |
|
|
20 |
A" |
1496 |
1450 |
0.969 |
162 |
1087 |
|
|
21 |
A" |
1424 |
1385 |
0.973 |
162 |
1088 |
|
|
22 |
A" |
1392 |
1345 |
0.966 |
162 |
1089 |
|
|
23 |
A" |
1175 |
1104 |
0.939 |
162 |
1090 |
|
|
24 |
A" |
950 |
941 |
0.990 |
162 |
1091 |
|
|
25 |
A" |
940 |
928 |
0.987 |
162 |
1092 |
|
|
26 |
A" |
411 |
415 |
1.009 |
162 |
1093 |
|
|
27 |
A" |
218 |
243 |
1.115 |
162 |
1094 |
CH2FCH2CH3 |
1-Fluoropropane |
1 |
A |
3139 |
2991 |
0.953 |
163 |
1095 |
|
|
2 |
A |
3124 |
2973 |
0.952 |
163 |
1096 |
|
|
3 |
A |
3110 |
2963 |
0.953 |
163 |
1097 |
|
|
4 |
A |
3089 |
2953 |
0.956 |
163 |
1098 |
|
|
5 |
A |
3061 |
2941 |
0.961 |
163 |
1099 |
|
|
6 |
A |
3060 |
2907 |
0.950 |
163 |
1100 |
|
|
7 |
A |
3053 |
2902 |
0.950 |
163 |
1101 |
|
|
8 |
A |
1533 |
1481 |
0.966 |
163 |
1102 |
|
|
9 |
A |
1526 |
1474 |
0.966 |
163 |
1103 |
|
|
10 |
A |
1514 |
1467 |
0.969 |
163 |
1104 |
|
|
11 |
A |
1492 |
1441 |
0.966 |
163 |
1105 |
|
|
12 |
A |
1442 |
1398 |
0.970 |
163 |
1106 |
|
|
13 |
A |
1424 |
1398 |
0.982 |
163 |
1107 |
|
|
13 |
A' |
1044 |
1391 |
1.332 |
163 |
1108 |
|
|
14 |
A |
1396 |
1345 |
0.964 |
163 |
1109 |
|
|
15 |
A |
1317 |
1279 |
0.971 |
163 |
1110 |
|
|
16 |
A |
1289 |
1254 |
0.972 |
163 |
1111 |
|
|
17 |
A |
1190 |
1159 |
0.974 |
163 |
1112 |
|
|
18 |
A |
1135 |
1106 |
0.974 |
163 |
1113 |
|
|
19 |
A |
1095 |
1072 |
0.979 |
163 |
1114 |
|
|
20 |
A |
988 |
966 |
0.978 |
163 |
1115 |
|
|
21 |
A |
933 |
917 |
0.983 |
163 |
1116 |
|
|
22 |
A |
885 |
867 |
0.980 |
163 |
1117 |
|
|
22 |
A" |
1286 |
890 |
0.692 |
163 |
1118 |
|
|
23 |
A |
778 |
761 |
0.978 |
163 |
1119 |
|
|
24 |
A |
483 |
478 |
0.989 |
163 |
1120 |
|
|
25 |
A |
319 |
315 |
0.986 |
163 |
1121 |
|
|
26 |
A |
224 |
213 |
0.951 |
163 |
1122 |
|
|
26 |
A" |
232 |
210 |
0.907 |
163 |
1123 |
|
|
27 |
A" |
131 |
129 |
0.983 |
163 |
1124 |
|
|
27 |
A |
147 |
141 |
0.961 |
163 |
1125 |
C6H6 |
Benzvalene |
1 |
A1 |
3271 |
3103 |
0.949 |
164 |
1126 |
|
|
2 |
A1 |
3245 |
3081 |
0.949 |
164 |
1127 |
|
|
3 |
A1 |
3214 |
2995 |
0.932 |
164 |
1128 |
|
|
4 |
A1 |
1609 |
1556 |
0.967 |
164 |
1129 |
|
|
5 |
A1 |
1412 |
1376 |
0.975 |
164 |
1130 |
|
|
6 |
A1 |
1203 |
1367 |
1.136 |
164 |
1131 |
|
|
7 |
A1 |
1123 |
1163 |
1.036 |
164 |
1132 |
|
|
8 |
A1 |
996 |
1090 |
1.094 |
164 |
1133 |
|
|
9 |
A1 |
909 |
972 |
1.069 |
164 |
1134 |
|
|
10 |
A1 |
774 |
996 |
1.287 |
164 |
1135 |
|
|
11 |
A1 |
694 |
656 |
0.945 |
164 |
1136 |
|
|
12 |
A2 |
1133 |
1094 |
0.966 |
164 |
1137 |
|
|
13 |
A2 |
925 |
910 |
0.984 |
164 |
1138 |
|
|
14 |
A2 |
903 |
800 |
0.886 |
164 |
1139 |
|
|
15 |
A2 |
776 |
774 |
0.997 |
164 |
1140 |
|
|
16 |
A2 |
548 |
536 |
0.979 |
164 |
1141 |
|
|
17 |
B1 |
3227 |
3086 |
0.956 |
164 |
1142 |
|
|
18 |
B1 |
1127 |
1101 |
0.977 |
164 |
1143 |
|
|
19 |
B1 |
1013 |
761 |
0.751 |
164 |
1144 |
|
|
20 |
B1 |
764 |
742 |
0.971 |
164 |
1145 |
|
|
21 |
B1 |
637 |
628 |
0.986 |
164 |
1146 |
|
|
22 |
B1 |
516 |
500 |
0.970 |
164 |
1147 |
|
|
23 |
B2 |
3246 |
3085 |
0.951 |
164 |
1148 |
|
|
24 |
B2 |
3214 |
3071 |
0.955 |
164 |
1149 |
|
|
25 |
B2 |
1350 |
1315 |
0.974 |
164 |
1150 |
|
|
26 |
B2 |
1281 |
1241 |
0.969 |
164 |
1151 |
|
|
27 |
B2 |
1218 |
1184 |
0.972 |
164 |
1152 |
|
|
28 |
B2 |
995 |
975 |
0.980 |
164 |
1153 |
|
|
29 |
B2 |
868 |
850 |
0.979 |
164 |
1154 |
|
|
30 |
B2 |
829 |
812 |
0.979 |
164 |
1155 |
C4H8 |
cyclobutane |
1 |
A1 |
3112 |
2951 |
0.948 |
165 |
1156 |
|
|
2 |
A1 |
3079 |
2862 |
0.930 |
165 |
1157 |
|
|
3 |
A1 |
1537 |
1468 |
0.955 |
165 |
1158 |
|
|
4 |
A1 |
1188 |
1153 |
0.971 |
165 |
1159 |
|
|
5 |
A1 |
1028 |
1004 |
0.977 |
165 |
1160 |
|
|
6 |
A1 |
216 |
199 |
0.923 |
165 |
1161 |
|
|
7 |
A2 |
1270 |
1260 |
0.992 |
165 |
1162 |
|
|
8 |
A2 |
970 |
941 |
0.970 |
165 |
1163 |
|
|
9 |
B1 |
1269 |
1231 |
0.970 |
165 |
1164 |
|
|
10 |
B1 |
1178 |
1142 |
0.970 |
165 |
1165 |
|
|
11 |
B1 |
948 |
928 |
0.979 |
165 |
1166 |
|
|
12 |
B2 |
3141 |
2973 |
0.947 |
165 |
1167 |
|
|
13 |
B2 |
3075 |
2934 |
0.954 |
165 |
1168 |
|
|
14 |
B2 |
1506 |
1440 |
0.956 |
165 |
1169 |
|
|
15 |
B2 |
907 |
883 |
0.974 |
165 |
1170 |
|
|
16 |
B2 |
632 |
625 |
0.988 |
165 |
1171 |
|
|
17 |
E |
3124 |
2959 |
0.947 |
165 |
1172 |
|
|
18 |
E |
3075 |
2862 |
0.931 |
165 |
1173 |
|
|
19 |
E |
1498 |
1441 |
0.962 |
165 |
1174 |
|
|
20 |
E |
1298 |
1252 |
0.964 |
165 |
1175 |
|
|
21 |
E |
1262 |
1217 |
0.964 |
165 |
1176 |
|
|
22 |
E |
923 |
893 |
0.968 |
165 |
1177 |
|
|
23 |
E |
761 |
746 |
0.979 |
165 |
1178 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
1 |
A |
3179 |
3035 |
0.955 |
166 |
1179 |
|
|
2 |
A |
3160 |
3012 |
0.953 |
166 |
1180 |
|
|
3 |
A |
3155 |
2967 |
0.940 |
166 |
1181 |
|
|
4 |
A |
3129 |
2954 |
0.944 |
166 |
1182 |
|
|
5 |
A |
3107 |
2938 |
0.945 |
166 |
1183 |
|
|
6 |
A |
3097 |
2916 |
0.942 |
166 |
1184 |
|
|
7 |
A |
3048 |
2898 |
0.951 |
166 |
1185 |
|
|
8 |
A |
1735 |
1675 |
0.965 |
166 |
1186 |
|
|
9 |
A |
1507 |
1459 |
0.968 |
166 |
1187 |
|
|
10 |
A |
1499 |
1446 |
0.965 |
166 |
1188 |
|
|
11 |
A |
1496 |
1434 |
0.959 |
166 |
1189 |
|
|
12 |
A |
1427 |
1383 |
0.969 |
166 |
1190 |
|
|
13 |
A |
1354 |
1312 |
0.969 |
166 |
1191 |
|
|
14 |
A |
1341 |
1305 |
0.973 |
166 |
1192 |
|
|
15 |
A |
1286 |
1253 |
0.975 |
166 |
1193 |
|
|
16 |
A |
1214 |
1180 |
0.972 |
166 |
1194 |
|
|
17 |
A |
1130 |
1102 |
0.976 |
166 |
1195 |
|
|
18 |
A |
1104 |
1076 |
0.974 |
166 |
1196 |
|
|
19 |
A |
1081 |
1044 |
0.966 |
166 |
1197 |
|
|
20 |
A |
1012 |
966 |
0.954 |
166 |
1198 |
|
|
21 |
A |
961 |
942 |
0.980 |
166 |
1199 |
|
|
22 |
A |
899 |
878 |
0.977 |
166 |
1200 |
|
|
23 |
A |
813 |
782 |
0.962 |
166 |
1201 |
|
|
24 |
A |
689 |
690 |
1.001 |
166 |
1202 |
|
|
25 |
A |
496 |
491 |
0.990 |
166 |
1203 |
|
|
26 |
A |
357 |
350 |
0.982 |
166 |
1204 |
|
|
27 |
A |
280 |
283 |
1.011 |
166 |
1205 |
|
|
28 |
A |
215 |
195 |
0.909 |
166 |
1206 |
|
|
29 |
A |
160 |
151 |
0.943 |
166 |
1207 |
|
|
30 |
A |
90 |
82 |
0.907 |
166 |
1208 |
C6H4Cl2 |
1,4-dichlorobenzene |
1 |
Ag |
3239 |
3072 |
0.949 |
167 |
1209 |
|
|
2 |
Ag |
1626 |
1574 |
0.968 |
167 |
1210 |
|
|
3 |
Ag |
1204 |
1169 |
0.971 |
167 |
1211 |
|
|
4 |
Ag |
1116 |
1096 |
0.982 |
167 |
1212 |
|
|
5 |
Ag |
761 |
747 |
0.981 |
167 |
1213 |
|
|
6 |
Ag |
332 |
328 |
0.988 |
167 |
1214 |
|
|
7 |
Au |
990 |
951 |
0.961 |
167 |
1215 |
|
|
8 |
Au |
425 |
405 |
0.952 |
167 |
1216 |
|
|
9 |
B1g |
844 |
815 |
0.966 |
167 |
1217 |
|
|
10 |
B1u |
3222 |
3078 |
0.955 |
167 |
1218 |
|
|
11 |
B1u |
1517 |
1477 |
0.973 |
167 |
1219 |
|
|
12 |
B1u |
1115 |
1090 |
0.977 |
167 |
1220 |
|
|
13 |
B1u |
1037 |
1015 |
0.979 |
167 |
1221 |
|
|
14 |
B1u |
552 |
550 |
0.996 |
167 |
1222 |
|
|
15 |
B2g |
978 |
934 |
0.955 |
167 |
1223 |
|
|
16 |
B2g |
723 |
687 |
0.951 |
167 |
1224 |
|
|
17 |
B2g |
301 |
298 |
0.991 |
167 |
1225 |
|
|
18 |
B2u |
3237 |
3087 |
0.954 |
167 |
1226 |
|
|
19 |
B2u |
1429 |
1394 |
0.975 |
167 |
1227 |
|
|
20 |
B2u |
1339 |
1220 |
0.911 |
167 |
1228 |
|
|
21 |
B2u |
1130 |
1107 |
0.980 |
167 |
1229 |
|
|
22 |
B2u |
220 |
226 |
1.026 |
167 |
1230 |
|
|
23 |
B3g |
3223 |
3065 |
0.951 |
167 |
1231 |
|
|
24 |
B3g |
1620 |
1574 |
0.972 |
167 |
1232 |
|
|
25 |
B3g |
1325 |
1290 |
0.973 |
167 |
1233 |
|
|
26 |
B3g |
642 |
626 |
0.975 |
167 |
1234 |
|
|
27 |
B3g |
354 |
350 |
0.988 |
167 |
1235 |
|
|
28 |
B3u |
855 |
819 |
0.957 |
167 |
1236 |
|
|
29 |
B3u |
503 |
485 |
0.964 |
167 |
1237 |
|
|
30 |
B3u |
103 |
122 |
1.188 |
167 |
1238 |
B5H9 |
pentaborane9 |
1 |
A1 |
2745 |
2628 |
0.957 |
168 |
1239 |
|
|
2 |
A1 |
2732 |
2610 |
0.955 |
168 |
1240 |
|
|
3 |
A1 |
2014 |
1844 |
0.916 |
168 |
1241 |
|
|
4 |
A1 |
1181 |
1126 |
0.954 |
168 |
1242 |
|
|
5 |
A1 |
1022 |
985 |
0.964 |
168 |
1243 |
|
|
6 |
A1 |
824 |
799 |
0.970 |
168 |
1244 |
|
|
7 |
A1 |
723 |
702 |
0.970 |
168 |
1245 |
|
|
12 |
B1 |
769 |
741 |
0.964 |
168 |
1246 |
|
|
13 |
B1 |
623 |
240 |
0.385 |
168 |
1247 |
|
|
14 |
B2 |
2726 |
2610 |
0.958 |
168 |
1248 |
|
|
16 |
B2 |
815 |
1036 |
1.270 |
168 |
1249 |
|
|
17 |
B2 |
721 |
785 |
1.089 |
168 |
1250 |
|
|
18 |
B2 |
481 |
600 |
1.247 |
168 |
1251 |
|
|
19 |
E |
2734 |
2610 |
0.955 |
168 |
1252 |
|
|
20 |
E |
1969 |
1800 |
0.914 |
168 |
1253 |
|
|
21 |
E |
1565 |
1634 |
1.044 |
168 |
1254 |
|
|
22 |
E |
1094 |
1409 |
1.288 |
168 |
1255 |
|
|
23 |
E |
954 |
1036 |
1.086 |
168 |
1256 |
|
|
24 |
E |
919 |
892 |
0.971 |
168 |
1257 |
|
|
25 |
E |
806 |
710 |
0.881 |
168 |
1258 |
|
|
26 |
E |
643 |
618 |
0.961 |
168 |
1259 |
CH3CH2CH2CH3 |
Butane |
1 |
Ag |
3117 |
2965 |
0.951 |
169 |
1260 |
|
|
2 |
Ag |
3050 |
2872 |
0.942 |
169 |
1261 |
|
|
3 |
Ag |
3033 |
2853 |
0.941 |
169 |
1262 |
|
|
4 |
Ag |
1522 |
1460 |
0.959 |
169 |
1263 |
|
|
5 |
Ag |
1503 |
1442 |
0.960 |
169 |
1264 |
|
|
6 |
Ag |
1424 |
1382 |
0.971 |
169 |
1265 |
|
|
7 |
Ag |
1407 |
1361 |
0.967 |
169 |
1266 |
|
|
8 |
Ag |
1183 |
1151 |
0.973 |
169 |
1267 |
|
|
9 |
Ag |
1081 |
1059 |
0.979 |
169 |
1268 |
|
|
10 |
Ag |
852 |
837 |
0.983 |
169 |
1269 |
|
|
11 |
Ag |
427 |
425 |
0.994 |
169 |
1270 |
|
|
12 |
Au |
3114 |
2968 |
0.953 |
169 |
1271 |
|
|
13 |
Au |
3074 |
2930 |
0.953 |
169 |
1272 |
|
|
14 |
Au |
1518 |
1461 |
0.963 |
169 |
1273 |
|
|
15 |
Au |
1302 |
1257 |
0.965 |
169 |
1274 |
|
|
16 |
Au |
971 |
948 |
0.976 |
169 |
1275 |
|
|
17 |
Au |
744 |
731 |
0.983 |
169 |
1276 |
|
|
18 |
Au |
227 |
194 |
0.855 |
169 |
1277 |
|
|
19 |
Au |
121 |
102 |
0.844 |
169 |
1278 |
|
|
20 |
Bg |
3110 |
2965 |
0.953 |
169 |
1279 |
|
|
21 |
Bg |
3051 |
2912 |
0.954 |
169 |
1280 |
|
|
22 |
Bg |
1516 |
1460 |
0.963 |
169 |
1281 |
|
|
23 |
Bg |
1346 |
1300 |
0.966 |
169 |
1282 |
|
|
24 |
Bg |
1222 |
1180 |
0.965 |
169 |
1283 |
|
|
25 |
Bg |
818 |
803 |
0.982 |
169 |
1284 |
|
|
26 |
Bg |
265 |
225 |
0.850 |
169 |
1285 |
|
|
27 |
Bu |
3118 |
2968 |
0.952 |
169 |
1286 |
|
|
28 |
Bu |
3050 |
2870 |
0.941 |
169 |
1287 |
|
|
29 |
Bu |
3041 |
2853 |
0.938 |
169 |
1288 |
|
|
30 |
Bu |
1529 |
1461 |
0.956 |
169 |
1289 |
|
|
31 |
Bu |
1508 |
1461 |
0.969 |
169 |
1290 |
|
|
32 |
Bu |
1426 |
1379 |
0.967 |
169 |
1291 |
|
|
33 |
Bu |
1336 |
1290 |
0.966 |
169 |
1292 |
|
|
34 |
Bu |
1031 |
1009 |
0.978 |
169 |
1293 |
|
|
35 |
Bu |
989 |
964 |
0.975 |
169 |
1294 |
|
|
36 |
Bu |
259 |
271 |
1.048 |
169 |
1295 |
C10H8 |
naphthalene |
1 |
Ag |
3217 |
3060 |
0.951 |
170 |
1296 |
|
|
2 |
Ag |
3188 |
3031 |
0.951 |
170 |
1297 |
|
|
3 |
Ag |
1622 |
1577 |
0.972 |
170 |
1298 |
|
|
4 |
Ag |
1501 |
1460 |
0.973 |
170 |
1299 |
|
|
5 |
Ag |
1422 |
1376 |
0.968 |
170 |
1300 |
|
|
6 |
Ag |
1192 |
1145 |
0.961 |
170 |
1301 |
|
|
7 |
Ag |
1052 |
1025 |
0.974 |
170 |
1302 |
|
|
8 |
Ag |
778 |
758 |
0.975 |
170 |
1303 |
|
|
9 |
Ag |
522 |
512 |
0.981 |
170 |
1304 |
|
|
10 |
Au |
995 |
970 |
0.975 |
170 |
1305 |
|
|
11 |
Au |
860 |
841 |
0.978 |
170 |
1306 |
|
|
12 |
Au |
639 |
581 |
0.910 |
170 |
1307 |
|
|
13 |
Au |
188 |
195 |
1.036 |
170 |
1308 |
|
|
14 |
B1g |
968 |
943 |
0.974 |
170 |
1309 |
|
|
15 |
B1g |
740 |
717 |
0.969 |
170 |
1310 |
|
|
16 |
B1g |
398 |
386 |
0.969 |
170 |
1311 |
|
|
17 |
B1u |
3202 |
3065 |
0.957 |
170 |
1312 |
|
|
18 |
B1u |
3181 |
3058 |
0.961 |
170 |
1313 |
|
|
19 |
B1u |
1645 |
1595 |
0.970 |
170 |
1314 |
|
|
20 |
B1u |
1427 |
1389 |
0.973 |
170 |
1315 |
|
|
21 |
B1u |
1297 |
1265 |
0.975 |
170 |
1316 |
|
|
22 |
B1u |
1157 |
1125 |
0.972 |
170 |
1317 |
|
|
23 |
B1u |
813 |
753 |
0.926 |
170 |
1318 |
|
|
24 |
B1u |
365 |
359 |
0.983 |
170 |
1319 |
|
|
25 |
B2g |
1001 |
980 |
0.979 |
170 |
1320 |
|
|
26 |
B2g |
911 |
876 |
0.962 |
170 |
1321 |
|
|
27 |
B2g |
792 |
770 |
0.972 |
170 |
1322 |
|
|
28 |
B2g |
484 |
461 |
0.953 |
170 |
1323 |
|
|
29 |
B2u |
3215 |
3090 |
0.961 |
170 |
1324 |
|
|
30 |
B2u |
3184 |
3027 |
0.951 |
170 |
1325 |
|
|
31 |
B2u |
1558 |
1506 |
0.966 |
170 |
1326 |
|
|
32 |
B2u |
1414 |
1361 |
0.963 |
170 |
1327 |
|
|
33 |
B2u |
1247 |
1209 |
0.970 |
170 |
1328 |
|
|
34 |
B2u |
1180 |
1138 |
0.964 |
170 |
1329 |
|
|
35 |
B2u |
1042 |
1008 |
0.968 |
170 |
1330 |
|
|
36 |
B2u |
635 |
618 |
0.974 |
170 |
1331 |
|
|
37 |
B3g |
3201 |
3092 |
0.966 |
170 |
1332 |
|
|
38 |
B3g |
3179 |
3060 |
0.963 |
170 |
1333 |
|
|
39 |
B3g |
1682 |
1624 |
0.966 |
170 |
1334 |
|
|
40 |
B3g |
1499 |
1438 |
0.959 |
170 |
1335 |
|
|
41 |
B3g |
1278 |
1239 |
0.970 |
170 |
1336 |
|
|
42 |
B3g |
1178 |
1158 |
0.983 |
170 |
1337 |
|
|
43 |
B3g |
958 |
935 |
0.976 |
170 |
1338 |
|
|
44 |
B3g |
519 |
506 |
0.975 |
170 |
1339 |
|
|
45 |
B3u |
987 |
958 |
0.971 |
170 |
1340 |
|
|
46 |
B3u |
811 |
782 |
0.964 |
170 |
1341 |
|
|
47 |
B3u |
492 |
476 |
0.967 |
170 |
1342 |
|
|
48 |
B3u |
175 |
176 |
1.007 |
170 |
1343 |