LiH |
Lithium Hydride |
1 |
Σ |
1441 |
1360 |
0.944 |
1 |
1 |
CH |
Methylidyne |
1 |
Σ |
2969 |
2733 |
0.920 |
2 |
2 |
CN |
Cyano radical |
1 |
Σ |
2908 |
2042 |
0.702 |
3 |
3 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2218 |
2330 |
1.051 |
4 |
4 |
OH |
Hydroxyl radical |
1 |
Σ |
3840 |
3570 |
0.930 |
5 |
5 |
CO |
Carbon monoxide |
1 |
Σ |
2139 |
2143 |
1.002 |
6 |
6 |
MgO |
magnesium oxide |
1 |
Σ |
1033 |
775 |
0.750 |
7 |
7 |
CS |
carbon monosulfide |
1 |
Σ |
1311 |
1272 |
0.970 |
8 |
8 |
HF |
Hydrogen fluoride |
1 |
Σ |
4198 |
3961 |
0.944 |
9 |
9 |
F2 |
Fluorine diatomic |
|
Σg |
1018 |
894 |
0.878 |
10 |
10 |
HCl |
Hydrogen chloride |
1 |
Σ |
3062 |
2886 |
0.943 |
11 |
11 |
LiCl |
lithium chloride |
1 |
Σ |
648 |
634 |
0.979 |
12 |
12 |
CCl |
carbon monochloride |
1 |
Σ |
913 |
866 |
0.948 |
13 |
13 |
ClF |
Chlorine monofluoride |
1 |
Σ |
810 |
773 |
0.955 |
14 |
14 |
NaCl |
Sodium Chloride |
1 |
Σ |
358 |
361 |
1.010 |
15 |
15 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
586 |
554 |
0.946 |
16 |
16 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3487 |
3312 |
0.950 |
17 |
17 |
|
|
2 |
Σ |
2045 |
2089 |
1.022 |
17 |
18 |
|
|
3 |
Π |
730 |
712 |
0.975 |
17 |
19 |
HNC |
hydrogen isocyanide |
1 |
Σ |
3868 |
3653 |
0.944 |
18 |
20 |
|
|
2 |
Σ |
2048 |
2029 |
0.991 |
18 |
21 |
|
|
3 |
Π |
558 |
477 |
0.855 |
18 |
22 |
HCP |
Phosphaethyne |
1 |
Σ |
3389 |
3217 |
0.949 |
19 |
23 |
|
|
2 |
Σ |
1264 |
1278 |
1.012 |
19 |
24 |
|
|
3 |
Π |
716 |
674 |
0.942 |
19 |
25 |
H2O |
Water |
1 |
A1 |
3872 |
3657 |
0.944 |
20 |
26 |
|
|
2 |
A1 |
1650 |
1595 |
0.966 |
20 |
27 |
|
|
3 |
B2 |
3993 |
3756 |
0.941 |
20 |
28 |
CO2 |
Carbon dioxide |
1 |
Σg |
1343 |
1333 |
0.993 |
21 |
29 |
|
|
2 |
Σu |
2441 |
2349 |
0.962 |
21 |
30 |
|
|
3 |
Πu |
661 |
667 |
1.009 |
21 |
31 |
SiO2 |
silicon dioxide |
2 |
Σu |
1430 |
1416 |
0.991 |
22 |
32 |
|
|
3 |
Πu |
303 |
273 |
0.898 |
22 |
33 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2788 |
2615 |
0.938 |
23 |
34 |
|
|
2 |
A1 |
1224 |
1183 |
0.967 |
23 |
35 |
|
|
3 |
B2 |
2804 |
2626 |
0.937 |
23 |
36 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2116 |
2062 |
0.974 |
24 |
37 |
|
|
2 |
Σ |
898 |
859 |
0.956 |
24 |
38 |
|
|
3 |
Π |
534 |
520 |
0.973 |
24 |
39 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1139 |
1151 |
1.010 |
25 |
40 |
|
|
2 |
A1 |
510 |
518 |
1.016 |
25 |
41 |
|
|
3 |
B2 |
1370 |
1362 |
0.994 |
25 |
42 |
CS2 |
Carbon disulfide |
1 |
Σg |
684 |
658 |
0.963 |
26 |
43 |
|
|
2 |
Σu |
1638 |
1535 |
0.937 |
26 |
44 |
|
|
3 |
Πu |
418 |
397 |
0.950 |
26 |
45 |
ClCN |
chlorocyanogen |
1 |
Σ |
2159 |
2216 |
1.026 |
27 |
46 |
|
|
2 |
Σ |
764 |
744 |
0.974 |
27 |
47 |
|
|
3 |
Π |
399 |
378 |
0.948 |
27 |
48 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1882 |
1800 |
0.956 |
28 |
49 |
|
|
2 |
A' |
600 |
596 |
0.994 |
28 |
50 |
|
|
3 |
A' |
338 |
332 |
0.983 |
28 |
51 |
CCl2 |
dichloromethylene |
1 |
A1 |
764 |
730 |
0.955 |
29 |
52 |
|
|
2 |
A1 |
351 |
335 |
0.956 |
29 |
53 |
|
|
3 |
B2 |
805 |
758 |
0.942 |
29 |
54 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1976 |
1900 |
0.962 |
30 |
55 |
|
|
2 |
A2" |
735 |
698 |
0.949 |
30 |
56 |
|
|
3 |
E' |
1972 |
1883 |
0.955 |
30 |
57 |
|
|
4 |
E' |
814 |
783 |
0.963 |
30 |
58 |
C2H2 |
Acetylene |
1 |
Σg |
3561 |
3374 |
0.948 |
31 |
59 |
|
|
2 |
Σg |
1991 |
1974 |
0.992 |
31 |
60 |
|
|
3 |
Σu |
3444 |
3289 |
0.955 |
31 |
61 |
|
|
4 |
Πg |
600 |
612 |
1.020 |
31 |
62 |
|
|
5 |
Πu |
760 |
730 |
0.961 |
31 |
63 |
NH3 |
Ammonia |
1 |
A1 |
3537 |
3337 |
0.943 |
32 |
64 |
|
|
2 |
A1 |
1078 |
950 |
0.882 |
32 |
65 |
|
|
3 |
E |
3676 |
3444 |
0.937 |
32 |
66 |
|
|
4 |
E |
1692 |
1627 |
0.962 |
32 |
67 |
HNCO |
Isocyanic acid |
1 |
A' |
3740 |
3538 |
0.946 |
33 |
68 |
|
|
2 |
A' |
2360 |
2269 |
0.961 |
33 |
69 |
|
|
3 |
A' |
1317 |
1327 |
1.008 |
33 |
70 |
|
|
4 |
A' |
783 |
777 |
0.992 |
33 |
71 |
|
|
5 |
A' |
569 |
577 |
1.015 |
33 |
72 |
|
|
6 |
A" |
636 |
656 |
1.032 |
33 |
73 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3133 |
2971 |
0.948 |
34 |
74 |
|
|
2 |
A1 |
1515 |
1456 |
0.961 |
34 |
75 |
|
|
3 |
A1 |
1110 |
1059 |
0.954 |
34 |
76 |
|
|
4 |
B1 |
1041 |
990 |
0.952 |
34 |
77 |
|
|
5 |
B2 |
3208 |
3025 |
0.943 |
34 |
78 |
|
|
6 |
B2 |
1023 |
991 |
0.968 |
34 |
79 |
SO3 |
Sulfur trioxide |
1 |
A1' |
1074 |
1065 |
0.991 |
35 |
80 |
|
|
2 |
A2" |
504 |
498 |
0.988 |
35 |
81 |
|
|
3 |
E' |
1436 |
1391 |
0.969 |
35 |
82 |
|
|
4 |
E' |
531 |
530 |
0.998 |
35 |
83 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
693 |
690 |
0.996 |
36 |
84 |
|
|
2 |
A2" |
302 |
297 |
0.985 |
36 |
85 |
|
|
3 |
E' |
959 |
935 |
0.975 |
36 |
86 |
|
|
4 |
E' |
243 |
263 |
1.083 |
36 |
87 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
905 |
892 |
0.986 |
37 |
88 |
|
|
2 |
A1 |
490 |
487 |
0.994 |
37 |
89 |
|
|
3 |
E |
876 |
860 |
0.981 |
37 |
90 |
|
|
4 |
E |
349 |
344 |
0.987 |
37 |
91 |
C2Cl2 |
dichloroacetylene |
4 |
Πg |
364 |
333 |
0.916 |
38 |
92 |
|
|
5 |
Πu |
184 |
172 |
0.936 |
38 |
93 |
CCl2O |
Phosgene |
1 |
A1 |
1840 |
1827 |
0.993 |
39 |
94 |
|
|
2 |
A1 |
591 |
567 |
0.960 |
39 |
95 |
|
|
3 |
A1 |
313 |
285 |
0.911 |
39 |
96 |
|
|
4 |
B1 |
607 |
580 |
0.956 |
39 |
97 |
|
|
5 |
B2 |
870 |
849 |
0.976 |
39 |
98 |
|
|
6 |
B2 |
454 |
440 |
0.969 |
39 |
99 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
398 |
375 |
0.942 |
40 |
100 |
|
|
2 |
A2" |
211 |
183 |
0.866 |
40 |
101 |
|
|
3 |
E' |
644 |
595 |
0.924 |
40 |
102 |
|
|
4 |
E' |
147 |
150 |
1.021 |
40 |
103 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
538 |
504 |
0.937 |
41 |
104 |
|
|
2 |
A1 |
267 |
252 |
0.942 |
41 |
105 |
|
|
3 |
E |
529 |
482 |
0.911 |
41 |
106 |
|
|
4 |
E |
193 |
198 |
1.025 |
41 |
107 |
CH4 |
Methane |
1 |
A1 |
3093 |
2917 |
0.943 |
42 |
108 |
|
|
2 |
E |
1600 |
1534 |
0.959 |
42 |
109 |
|
|
3 |
T2 |
3216 |
3019 |
0.939 |
42 |
110 |
|
|
4 |
T2 |
1358 |
1306 |
0.961 |
42 |
111 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
796 |
800 |
1.005 |
43 |
112 |
|
|
2 |
E |
264 |
268 |
1.015 |
43 |
113 |
|
|
3 |
T2 |
1037 |
1032 |
0.995 |
43 |
114 |
|
|
4 |
T2 |
387 |
389 |
1.004 |
43 |
115 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3134 |
2966 |
0.947 |
44 |
116 |
|
|
2 |
A1 |
1406 |
1355 |
0.964 |
44 |
117 |
|
|
3 |
A1 |
778 |
732 |
0.941 |
44 |
118 |
|
|
4 |
E |
3227 |
3042 |
0.943 |
44 |
119 |
|
|
5 |
E |
1516 |
1455 |
0.960 |
44 |
120 |
|
|
6 |
E |
1049 |
1015 |
0.968 |
44 |
121 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
292 |
2999 |
10.284 |
45 |
122 |
|
|
2 |
A1 |
748 |
1467 |
1.962 |
45 |
123 |
|
|
3 |
A1 |
1495 |
717 |
0.480 |
45 |
124 |
|
|
4 |
A1 |
3176 |
282 |
0.089 |
45 |
125 |
|
|
5 |
A2 |
1204 |
1153 |
0.957 |
45 |
126 |
|
|
6 |
B1 |
919 |
3040 |
3.307 |
45 |
127 |
|
|
7 |
B1 |
3236 |
898 |
0.277 |
45 |
128 |
|
|
8 |
B2 |
805 |
1268 |
1.575 |
45 |
129 |
|
|
9 |
B2 |
1309 |
758 |
0.579 |
45 |
130 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1132 |
1105 |
0.976 |
46 |
131 |
|
|
2 |
A1 |
802 |
781 |
0.974 |
46 |
132 |
|
|
3 |
A1 |
490 |
476 |
0.972 |
46 |
133 |
|
|
4 |
E |
1255 |
1212 |
0.966 |
46 |
134 |
|
|
5 |
E |
574 |
563 |
0.982 |
46 |
135 |
|
|
6 |
E |
357 |
350 |
0.981 |
46 |
136 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2343 |
2224 |
0.949 |
47 |
137 |
|
|
2 |
A1 |
993 |
954 |
0.961 |
47 |
138 |
|
|
3 |
A1 |
548 |
527 |
0.961 |
47 |
139 |
|
|
4 |
A1 |
192 |
188 |
0.980 |
47 |
140 |
|
|
5 |
A2 |
736 |
710 |
0.965 |
47 |
141 |
|
|
6 |
B1 |
2354 |
2237 |
0.950 |
47 |
142 |
|
|
7 |
B1 |
614 |
602 |
0.981 |
47 |
143 |
|
|
8 |
B2 |
904 |
876 |
0.969 |
47 |
144 |
|
|
9 |
B2 |
616 |
590 |
0.958 |
47 |
145 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
1143 |
1061 |
0.928 |
48 |
146 |
|
|
2 |
A1 |
717 |
715 |
0.997 |
48 |
147 |
|
|
3 |
A1 |
560 |
549 |
0.981 |
48 |
148 |
|
|
4 |
E |
1420 |
1315 |
0.926 |
48 |
149 |
|
|
5 |
E |
600 |
589 |
0.981 |
48 |
150 |
|
|
6 |
E |
412 |
405 |
0.983 |
48 |
151 |
CHCl3 |
Chloroform |
1 |
A1 |
3221 |
3034 |
0.942 |
49 |
152 |
|
|
2 |
A1 |
697 |
680 |
0.976 |
49 |
153 |
|
|
3 |
A1 |
377 |
366 |
0.971 |
49 |
154 |
|
|
4 |
E |
1262 |
1220 |
0.966 |
49 |
155 |
|
|
5 |
E |
812 |
774 |
0.954 |
49 |
156 |
|
|
6 |
E |
268 |
260 |
0.970 |
49 |
157 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1136 |
1101 |
0.969 |
50 |
158 |
|
|
2 |
A1 |
684 |
667 |
0.975 |
50 |
159 |
|
|
3 |
A1 |
471 |
458 |
0.973 |
50 |
160 |
|
|
4 |
A1 |
269 |
262 |
0.972 |
50 |
161 |
|
|
5 |
A2 |
330 |
322 |
0.977 |
50 |
162 |
|
|
6 |
B1 |
935 |
902 |
0.965 |
50 |
163 |
|
|
7 |
B1 |
450 |
437 |
0.971 |
50 |
164 |
|
|
8 |
B2 |
1199 |
1159 |
0.966 |
50 |
165 |
|
|
9 |
B2 |
448 |
446 |
0.995 |
50 |
166 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1120 |
1085 |
0.969 |
51 |
167 |
|
|
2 |
A1 |
553 |
535 |
0.967 |
51 |
168 |
|
|
3 |
A1 |
361 |
350 |
0.969 |
51 |
169 |
|
|
4 |
E |
871 |
847 |
0.972 |
51 |
170 |
|
|
5 |
E |
410 |
394 |
0.961 |
51 |
171 |
|
|
6 |
E |
251 |
241 |
0.960 |
51 |
172 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
477 |
459 |
0.962 |
52 |
173 |
|
|
2 |
E |
224 |
217 |
0.970 |
52 |
174 |
|
|
3 |
T2 |
816 |
776 |
0.951 |
52 |
175 |
|
|
4 |
T2 |
323 |
314 |
0.971 |
52 |
176 |
C4H2 |
Diacetylene |
6 |
Πg |
641 |
627 |
0.978 |
53 |
177 |
|
|
7 |
Πg |
499 |
482 |
0.966 |
53 |
178 |
|
|
8 |
Πu |
669 |
630 |
0.942 |
53 |
179 |
|
|
9 |
Πu |
242 |
231 |
0.956 |
53 |
180 |
CH3SH |
Methanethiol |
1 |
A' |
3198 |
3000 |
0.938 |
54 |
181 |
|
|
2 |
A' |
3116 |
2931 |
0.941 |
54 |
182 |
|
|
3 |
A' |
2780 |
2597 |
0.934 |
54 |
183 |
|
|
4 |
A' |
1518 |
1475 |
0.971 |
54 |
184 |
|
|
5 |
A' |
1378 |
1335 |
0.969 |
54 |
185 |
|
|
6 |
A' |
1113 |
1074 |
0.965 |
54 |
186 |
|
|
7 |
A' |
818 |
803 |
0.981 |
54 |
187 |
|
|
8 |
A' |
745 |
708 |
0.950 |
54 |
188 |
|
|
9 |
A" |
3203 |
3000 |
0.937 |
54 |
189 |
|
|
10 |
A" |
1504 |
1430 |
0.951 |
54 |
190 |
|
|
11 |
A" |
991 |
976 |
0.985 |
54 |
191 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
825 |
816 |
0.990 |
55 |
192 |
|
|
2 |
A1' |
661 |
648 |
0.980 |
55 |
193 |
|
|
3 |
A2" |
979 |
947 |
0.968 |
55 |
194 |
|
|
4 |
A2" |
582 |
575 |
0.987 |
55 |
195 |
|
|
5 |
E' |
1041 |
1024 |
0.984 |
55 |
196 |
|
|
6 |
E' |
540 |
533 |
0.988 |
55 |
197 |
|
|
7 |
E' |
176 |
174 |
0.991 |
55 |
198 |
|
|
8 |
E" |
518 |
520 |
1.005 |
55 |
199 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3311 |
3121 |
0.943 |
56 |
200 |
|
|
2 |
A' |
3268 |
3086 |
0.944 |
56 |
201 |
|
|
3 |
A' |
3221 |
3030 |
0.941 |
56 |
202 |
|
|
4 |
A' |
1671 |
1608 |
0.962 |
56 |
203 |
|
|
5 |
A' |
1426 |
1368 |
0.959 |
56 |
204 |
|
|
6 |
A' |
1318 |
1279 |
0.970 |
56 |
205 |
|
|
7 |
A' |
1057 |
1030 |
0.974 |
56 |
206 |
|
|
8 |
A' |
753 |
720 |
0.956 |
56 |
207 |
|
|
9 |
A' |
401 |
395 |
0.986 |
56 |
208 |
|
|
10 |
A" |
1000 |
941 |
0.941 |
56 |
209 |
|
|
11 |
A" |
939 |
896 |
0.954 |
56 |
210 |
|
|
12 |
A" |
652 |
620 |
0.951 |
56 |
211 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3240 |
3035 |
0.937 |
57 |
212 |
|
|
2 |
A1 |
1665 |
1627 |
0.977 |
57 |
213 |
|
|
3 |
A1 |
1421 |
1400 |
0.985 |
57 |
214 |
|
|
4 |
A1 |
626 |
603 |
0.963 |
57 |
215 |
|
|
5 |
A1 |
306 |
299 |
0.978 |
57 |
216 |
|
|
6 |
A2 |
716 |
686 |
0.959 |
57 |
217 |
|
|
7 |
B1 |
919 |
875 |
0.952 |
57 |
218 |
|
|
8 |
B1 |
491 |
460 |
0.937 |
57 |
219 |
|
|
9 |
B2 |
3329 |
3130 |
0.940 |
57 |
220 |
|
|
10 |
B2 |
1125 |
1095 |
0.974 |
57 |
221 |
|
|
11 |
B2 |
823 |
800 |
0.972 |
57 |
222 |
|
|
12 |
B2 |
377 |
372 |
0.986 |
57 |
223 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3285 |
3077 |
0.937 |
58 |
224 |
|
|
2 |
A1 |
1654 |
1587 |
0.960 |
58 |
225 |
|
|
3 |
A1 |
1226 |
1179 |
0.962 |
58 |
226 |
|
|
4 |
A1 |
754 |
711 |
0.943 |
58 |
227 |
|
|
5 |
A1 |
169 |
173 |
1.024 |
58 |
228 |
|
|
6 |
A2 |
919 |
876 |
0.953 |
58 |
229 |
|
|
7 |
A2 |
429 |
406 |
0.946 |
58 |
230 |
|
|
8 |
B1 |
734 |
697 |
0.950 |
58 |
231 |
|
|
9 |
B2 |
3256 |
3072 |
0.944 |
58 |
232 |
|
|
10 |
B2 |
1337 |
1303 |
0.974 |
58 |
233 |
|
|
11 |
B2 |
892 |
857 |
0.960 |
58 |
234 |
|
|
12 |
B2 |
586 |
571 |
0.974 |
58 |
235 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3287 |
3073 |
0.935 |
59 |
236 |
|
|
2 |
Ag |
1652 |
1578 |
0.955 |
59 |
237 |
|
|
3 |
Ag |
1310 |
1274 |
0.972 |
59 |
238 |
|
|
4 |
Ag |
886 |
846 |
0.955 |
59 |
239 |
|
|
5 |
Ag |
362 |
350 |
0.967 |
59 |
240 |
|
|
6 |
Au |
960 |
900 |
0.938 |
59 |
241 |
|
|
7 |
Au |
221 |
227 |
1.025 |
59 |
242 |
|
|
8 |
Bg |
819 |
763 |
0.931 |
59 |
243 |
|
|
9 |
Bu |
3280 |
3090 |
0.942 |
59 |
244 |
|
|
10 |
Bu |
1234 |
1200 |
0.972 |
59 |
245 |
|
|
11 |
Bu |
870 |
828 |
0.951 |
59 |
246 |
|
|
12 |
Bu |
239 |
250 |
1.044 |
59 |
247 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3289 |
3082 |
0.937 |
60 |
248 |
|
|
2 |
A' |
1642 |
1586 |
0.966 |
60 |
249 |
|
|
3 |
A' |
1280 |
1247 |
0.974 |
60 |
250 |
|
|
4 |
A' |
975 |
931 |
0.955 |
60 |
251 |
|
|
5 |
A' |
887 |
840 |
0.947 |
60 |
252 |
|
|
6 |
A' |
654 |
630 |
0.964 |
60 |
253 |
|
|
7 |
A' |
399 |
384 |
0.963 |
60 |
254 |
|
|
8 |
A' |
282 |
277 |
0.983 |
60 |
255 |
|
|
9 |
A' |
173 |
178 |
1.029 |
60 |
256 |
|
|
10 |
A" |
832 |
780 |
0.937 |
60 |
257 |
|
|
11 |
A" |
487 |
451 |
0.926 |
60 |
258 |
|
|
12 |
A" |
212 |
215 |
1.014 |
60 |
259 |
CH3NH2 |
methyl amine |
1 |
A' |
3564 |
3361 |
0.943 |
61 |
260 |
|
|
2 |
A' |
3137 |
2961 |
0.944 |
61 |
261 |
|
|
3 |
A' |
3055 |
2820 |
0.923 |
61 |
262 |
|
|
4 |
A' |
1671 |
1623 |
0.971 |
61 |
263 |
|
|
5 |
A' |
1532 |
1473 |
0.962 |
61 |
264 |
|
|
6 |
A' |
1476 |
1430 |
0.969 |
61 |
265 |
|
|
7 |
A' |
1195 |
1130 |
0.945 |
61 |
266 |
|
|
8 |
A' |
1096 |
1044 |
0.953 |
61 |
267 |
|
|
9 |
A' |
864 |
780 |
0.903 |
61 |
268 |
|
|
10 |
A" |
3654 |
3427 |
0.938 |
61 |
269 |
|
|
11 |
A" |
3171 |
2985 |
0.941 |
61 |
270 |
|
|
12 |
A" |
1553 |
1485 |
0.956 |
61 |
271 |
|
|
13 |
A" |
1363 |
1335 |
0.979 |
61 |
272 |
|
|
14 |
A" |
985 |
|
|
61 |
273 |
|
|
15 |
A" |
318 |
268 |
0.843 |
61 |
274 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3114 |
2935 |
0.943 |
62 |
275 |
|
|
2 |
A1 |
2231 |
2275 |
1.020 |
62 |
276 |
|
|
3 |
A1 |
1471 |
1395 |
0.948 |
62 |
277 |
|
|
4 |
A1 |
912 |
890 |
0.976 |
62 |
278 |
|
|
5 |
A1 |
579 |
582 |
1.005 |
62 |
279 |
|
|
6 |
A1 |
144 |
167 |
1.163 |
62 |
280 |
|
|
7 |
A2 |
1267 |
1220 |
0.963 |
62 |
281 |
|
|
8 |
A2 |
363 |
367 |
1.011 |
62 |
282 |
|
|
9 |
B1 |
3153 |
2968 |
0.941 |
62 |
283 |
|
|
10 |
B1 |
936 |
933 |
0.997 |
62 |
284 |
|
|
11 |
B1 |
333 |
337 |
1.012 |
62 |
285 |
|
|
12 |
B2 |
2237 |
2275 |
1.017 |
62 |
286 |
|
|
13 |
B2 |
1354 |
1318 |
0.973 |
62 |
287 |
|
|
14 |
B2 |
1008 |
982 |
0.974 |
62 |
288 |
|
|
15 |
B2 |
362 |
366 |
1.011 |
62 |
289 |
CH3ONO |
Methyl nitrite |
1 |
A' |
3232 |
3037 |
0.940 |
63 |
290 |
|
|
2 |
A' |
3108 |
2950 |
0.949 |
63 |
291 |
|
|
3 |
A' |
1597 |
1613 |
1.010 |
63 |
292 |
|
|
4 |
A' |
1523 |
1454 |
0.955 |
63 |
293 |
|
|
5 |
A' |
1463 |
1408 |
0.963 |
63 |
294 |
|
|
6 |
A' |
1200 |
1239 |
1.032 |
63 |
295 |
|
|
7 |
A' |
1052 |
991 |
0.942 |
63 |
296 |
|
|
8 |
A' |
879 |
838 |
0.954 |
63 |
297 |
|
|
9 |
A' |
692 |
627 |
0.906 |
63 |
298 |
|
|
10 |
A' |
369 |
346 |
0.937 |
63 |
299 |
|
|
11 |
A" |
3181 |
2991 |
0.940 |
63 |
300 |
|
|
12 |
A" |
1511 |
1438 |
0.952 |
63 |
301 |
|
|
13 |
A" |
1182 |
1143 |
0.967 |
63 |
302 |
|
|
14 |
A" |
376 |
|
|
63 |
303 |
|
|
15 |
A" |
227 |
186 |
0.821 |
63 |
304 |
C2H4S |
Thiirane |
1 |
A1 |
3194 |
3014 |
0.943 |
64 |
305 |
|
|
2 |
A1 |
1514 |
1457 |
0.962 |
64 |
306 |
|
|
5 |
A1 |
668 |
627 |
0.938 |
64 |
307 |
|
|
11 |
B1 |
843 |
824 |
0.978 |
64 |
308 |
|
|
12 |
B2 |
3191 |
3013 |
0.944 |
64 |
309 |
|
|
14 |
B2 |
1084 |
1051 |
0.970 |
64 |
310 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
790 |
774 |
0.979 |
65 |
311 |
|
|
2 |
Eg |
657 |
642 |
0.977 |
65 |
312 |
|
|
3 |
T1u |
977 |
948 |
0.970 |
65 |
313 |
|
|
4 |
T1u |
626 |
616 |
0.983 |
65 |
314 |
|
|
5 |
T2g |
532 |
525 |
0.987 |
65 |
315 |
|
|
6 |
T2u |
354 |
347 |
0.980 |
65 |
316 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3218 |
3027 |
0.941 |
66 |
317 |
|
|
2 |
A' |
3115 |
2948 |
0.946 |
66 |
318 |
|
|
3 |
A' |
1865 |
1818 |
0.975 |
66 |
319 |
|
|
4 |
A' |
1489 |
1415 |
0.951 |
66 |
320 |
|
|
5 |
A' |
1403 |
1368 |
0.975 |
66 |
321 |
|
|
6 |
A' |
1135 |
1108 |
0.977 |
66 |
322 |
|
|
7 |
A' |
983 |
956 |
0.972 |
66 |
323 |
|
|
8 |
A' |
620 |
604 |
0.975 |
66 |
324 |
|
|
9 |
A' |
453 |
445 |
0.981 |
66 |
325 |
|
|
10 |
A' |
353 |
348 |
0.986 |
66 |
326 |
|
|
11 |
A" |
3192 |
2990 |
0.937 |
66 |
327 |
|
|
12 |
A" |
1496 |
1431 |
0.956 |
66 |
328 |
|
|
13 |
A" |
1053 |
1032 |
0.980 |
66 |
329 |
|
|
14 |
A" |
533 |
518 |
0.972 |
66 |
330 |
|
|
15 |
A" |
157 |
166 |
1.059 |
66 |
331 |
C2H6 |
Ethane |
1 |
A1g |
3099 |
2954 |
0.953 |
67 |
332 |
|
|
2 |
A1g |
1441 |
1388 |
0.963 |
67 |
333 |
|
|
3 |
A1g |
1037 |
995 |
0.959 |
67 |
334 |
|
|
4 |
A1u |
342 |
289 |
0.845 |
67 |
335 |
|
|
5 |
A2u |
3101 |
2896 |
0.934 |
67 |
336 |
|
|
6 |
A2u |
1418 |
1379 |
0.972 |
67 |
337 |
|
|
7 |
Eg |
3158 |
2969 |
0.940 |
67 |
338 |
|
|
8 |
Eg |
1536 |
1468 |
0.956 |
67 |
339 |
|
|
9 |
Eg |
1239 |
1190 |
0.961 |
67 |
340 |
|
|
10 |
Eu |
3180 |
2985 |
0.939 |
67 |
341 |
|
|
11 |
Eu |
1535 |
1469 |
0.957 |
67 |
342 |
|
|
12 |
Eu |
834 |
822 |
0.986 |
67 |
343 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3099 |
2898 |
0.935 |
68 |
344 |
|
|
2 |
A1 |
2288 |
2166 |
0.947 |
68 |
345 |
|
|
3 |
A1 |
1301 |
1260 |
0.968 |
68 |
346 |
|
|
4 |
A1 |
974 |
940 |
0.965 |
68 |
347 |
|
|
5 |
A1 |
724 |
700 |
0.967 |
68 |
348 |
|
|
6 |
A2 |
227 |
187 |
0.823 |
68 |
349 |
|
|
7 |
E |
3181 |
2982 |
0.937 |
68 |
350 |
|
|
8 |
E |
2288 |
2169 |
0.948 |
68 |
351 |
|
|
9 |
E |
1488 |
1403 |
0.943 |
68 |
352 |
|
|
10 |
E |
1000 |
980 |
0.980 |
68 |
353 |
|
|
11 |
E |
897 |
868 |
0.968 |
68 |
354 |
|
|
12 |
E |
523 |
540 |
1.033 |
68 |
355 |
Si2H6 |
disilane |
1 |
A1g |
2285 |
2152 |
0.942 |
69 |
356 |
|
|
2 |
A1g |
951 |
909 |
0.956 |
69 |
357 |
|
|
3 |
A1g |
450 |
434 |
0.965 |
69 |
358 |
|
|
4 |
A1u |
156 |
131 |
0.838 |
69 |
359 |
|
|
5 |
A2u |
2277 |
2154 |
0.946 |
69 |
360 |
|
|
6 |
A2u |
874 |
844 |
0.965 |
69 |
361 |
|
|
7 |
Eg |
2287 |
2155 |
0.942 |
69 |
362 |
|
|
8 |
Eg |
979 |
929 |
0.949 |
69 |
363 |
|
|
9 |
Eg |
650 |
625 |
0.963 |
69 |
364 |
|
|
10 |
Eu |
2296 |
2179 |
0.949 |
69 |
365 |
|
|
11 |
Eu |
993 |
940 |
0.946 |
69 |
366 |
|
|
12 |
Eu |
370 |
379 |
1.025 |
69 |
367 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1481 |
1420 |
0.959 |
70 |
368 |
|
|
2 |
A1g |
827 |
809 |
0.978 |
70 |
369 |
|
|
3 |
A1g |
359 |
349 |
0.972 |
70 |
370 |
|
|
4 |
A1u |
77 |
68 |
0.882 |
70 |
371 |
|
|
5 |
A2u |
1149 |
1117 |
0.972 |
70 |
372 |
|
|
6 |
A2u |
728 |
714 |
0.980 |
70 |
373 |
|
|
7 |
Eg |
1273 |
1237 |
0.972 |
70 |
374 |
|
|
8 |
Eg |
632 |
620 |
0.981 |
70 |
375 |
|
|
9 |
Eg |
388 |
380 |
0.978 |
70 |
376 |
|
|
10 |
Eu |
1292 |
1251 |
0.968 |
70 |
377 |
|
|
11 |
Eu |
533 |
523 |
0.981 |
70 |
378 |
|
|
12 |
Eu |
220 |
216 |
0.981 |
70 |
379 |
CH2CHCH3 |
Propene |
1 |
A' |
3280 |
3090 |
0.942 |
71 |
380 |
|
|
2 |
A' |
3209 |
3013 |
0.939 |
71 |
381 |
|
|
3 |
A' |
3195 |
2991 |
0.936 |
71 |
382 |
|
|
4 |
A' |
3168 |
2954 |
0.932 |
71 |
383 |
|
|
5 |
A' |
3085 |
2871 |
0.931 |
71 |
384 |
|
|
6 |
A' |
1720 |
1650 |
0.959 |
71 |
385 |
|
|
7 |
A' |
1520 |
1470 |
0.967 |
71 |
386 |
|
|
8 |
A' |
1471 |
1420 |
0.965 |
71 |
387 |
|
|
9 |
A' |
1417 |
1378 |
0.972 |
71 |
388 |
|
|
10 |
A' |
1336 |
1297 |
0.971 |
71 |
389 |
|
|
11 |
A' |
1205 |
1171 |
0.972 |
71 |
390 |
|
|
12 |
A' |
953 |
963 |
1.011 |
71 |
391 |
|
|
13 |
A' |
949 |
920 |
0.969 |
71 |
392 |
|
|
14 |
A' |
425 |
428 |
1.007 |
71 |
393 |
|
|
15 |
A" |
3147 |
2954 |
0.939 |
71 |
394 |
|
|
16 |
A" |
1506 |
1443 |
0.958 |
71 |
395 |
|
|
17 |
A" |
1084 |
1045 |
0.964 |
71 |
396 |
|
|
18 |
A" |
1046 |
991 |
0.947 |
71 |
397 |
|
|
19 |
A" |
959 |
912 |
0.951 |
71 |
398 |
|
|
20 |
A" |
603 |
578 |
0.959 |
71 |
399 |
|
|
21 |
A" |
212 |
174 |
0.819 |
71 |
400 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3174 |
2966 |
0.934 |
72 |
401 |
|
|
2 |
A' |
3125 |
2872 |
0.919 |
72 |
402 |
|
|
3 |
A' |
3098 |
2872 |
0.927 |
72 |
403 |
|
|
4 |
A' |
2774 |
2580 |
0.930 |
72 |
404 |
|
|
5 |
A' |
1530 |
1453 |
0.950 |
72 |
405 |
|
|
6 |
A' |
1515 |
1453 |
0.959 |
72 |
406 |
|
|
7 |
A' |
1423 |
1385 |
0.973 |
72 |
407 |
|
|
8 |
A' |
1315 |
1309 |
0.995 |
72 |
408 |
|
|
9 |
A' |
1132 |
1097 |
0.969 |
72 |
409 |
|
|
10 |
A' |
1023 |
978 |
0.956 |
72 |
410 |
|
|
11 |
A' |
877 |
870 |
0.992 |
72 |
411 |
|
|
12 |
A' |
713 |
660 |
0.926 |
72 |
412 |
|
|
13 |
A' |
307 |
332 |
1.081 |
72 |
413 |
|
|
14 |
A" |
3182 |
2966 |
0.932 |
72 |
414 |
|
|
15 |
A" |
3159 |
2930 |
0.927 |
72 |
415 |
|
|
16 |
A" |
1521 |
1453 |
0.955 |
72 |
416 |
|
|
17 |
A" |
1288 |
1269 |
0.985 |
72 |
417 |
|
|
18 |
A" |
1065 |
1049 |
0.985 |
72 |
418 |
|
|
19 |
A" |
801 |
745 |
0.931 |
72 |
419 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3186 |
2997 |
0.941 |
73 |
420 |
|
|
2 |
A1 |
3088 |
2925 |
0.947 |
73 |
421 |
|
|
3 |
A1 |
1513 |
1447 |
0.956 |
73 |
422 |
|
|
4 |
A1 |
1381 |
1337 |
0.968 |
73 |
423 |
|
|
5 |
A1 |
1061 |
1030 |
0.971 |
73 |
424 |
|
|
6 |
A1 |
735 |
695 |
0.946 |
73 |
425 |
|
|
7 |
A1 |
268 |
280 |
1.046 |
73 |
426 |
|
|
8 |
A2 |
3171 |
2970 |
0.936 |
73 |
427 |
|
|
9 |
A2 |
1489 |
1427 |
0.958 |
73 |
428 |
|
|
10 |
A2 |
966 |
946 |
0.979 |
73 |
429 |
|
|
11 |
A2 |
186 |
175 |
0.943 |
73 |
430 |
|
|
12 |
B1 |
3162 |
2970 |
0.939 |
73 |
431 |
|
|
13 |
B1 |
1498 |
1439 |
0.960 |
73 |
432 |
|
|
14 |
B1 |
1003 |
973 |
0.970 |
73 |
433 |
|
|
15 |
B1 |
196 |
183 |
0.935 |
73 |
434 |
|
|
16 |
B2 |
3187 |
2999 |
0.941 |
73 |
435 |
|
|
17 |
B2 |
3093 |
2919 |
0.944 |
73 |
436 |
|
|
18 |
B2 |
1505 |
1442 |
0.958 |
73 |
437 |
|
|
19 |
B2 |
1357 |
1315 |
0.969 |
73 |
438 |
|
|
20 |
B2 |
923 |
903 |
0.978 |
73 |
439 |
|
|
21 |
B2 |
789 |
742 |
0.941 |
73 |
440 |
C4H4S |
Thiophene |
1 |
A1 |
3308 |
3126 |
0.945 |
74 |
441 |
|
|
2 |
A1 |
3275 |
3098 |
0.946 |
74 |
442 |
|
|
3 |
A1 |
1464 |
1409 |
0.962 |
74 |
443 |
|
|
4 |
A1 |
1400 |
1360 |
0.972 |
74 |
444 |
|
|
5 |
A1 |
1110 |
1083 |
0.976 |
74 |
445 |
|
|
6 |
A1 |
1083 |
1036 |
0.957 |
74 |
446 |
|
|
7 |
A1 |
885 |
872 |
0.985 |
74 |
447 |
|
|
8 |
A1 |
624 |
608 |
0.975 |
74 |
448 |
|
|
9 |
A2 |
935 |
867 |
0.927 |
74 |
449 |
|
|
10 |
A2 |
699 |
688 |
0.984 |
74 |
450 |
|
|
11 |
A2 |
590 |
567 |
0.961 |
74 |
451 |
|
|
12 |
B1 |
886 |
839 |
0.947 |
74 |
452 |
|
|
13 |
B1 |
751 |
712 |
0.948 |
74 |
453 |
|
|
14 |
B1 |
474 |
452 |
0.953 |
74 |
454 |
|
|
15 |
B2 |
3303 |
3125 |
0.946 |
74 |
455 |
|
|
16 |
B2 |
3259 |
3086 |
0.947 |
74 |
456 |
|
|
17 |
B2 |
1532 |
1504 |
0.982 |
74 |
457 |
|
|
18 |
B2 |
1288 |
1256 |
0.975 |
74 |
458 |
|
|
19 |
B2 |
1107 |
1085 |
0.980 |
74 |
459 |
|
|
20 |
B2 |
903 |
903 |
1.000 |
74 |
460 |
|
|
21 |
B2 |
781 |
751 |
0.962 |
74 |
461 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3539 |
3345 |
0.945 |
75 |
462 |
|
|
2 |
A' |
3158 |
2985 |
0.945 |
75 |
463 |
|
|
3 |
A' |
3103 |
2840 |
0.915 |
75 |
464 |
|
|
4 |
A' |
3082 |
2860 |
0.928 |
75 |
465 |
|
|
5 |
A' |
1665 |
1622 |
0.974 |
75 |
466 |
|
|
6 |
A' |
1531 |
1487 |
0.971 |
75 |
467 |
|
|
7 |
A' |
1513 |
1465 |
0.968 |
75 |
468 |
|
|
8 |
A' |
1418 |
1378 |
0.972 |
75 |
469 |
|
|
9 |
A' |
1391 |
1397 |
1.004 |
75 |
470 |
|
|
10 |
A' |
1173 |
1016 |
0.866 |
75 |
471 |
|
|
11 |
A' |
1105 |
1086 |
0.982 |
75 |
472 |
|
|
12 |
A' |
914 |
892 |
0.976 |
75 |
473 |
|
|
13 |
A' |
876 |
773 |
0.882 |
75 |
474 |
|
|
14 |
A' |
403 |
403 |
1.000 |
75 |
475 |
|
|
15 |
A" |
3630 |
3412 |
0.940 |
75 |
476 |
|
|
16 |
A" |
3161 |
2924 |
0.925 |
75 |
477 |
|
|
17 |
A" |
3128 |
2906 |
0.929 |
75 |
478 |
|
|
18 |
A" |
1521 |
1455 |
0.957 |
75 |
479 |
|
|
19 |
A" |
1407 |
1238 |
0.880 |
75 |
480 |
|
|
20 |
A" |
1287 |
1293 |
1.005 |
75 |
481 |
|
|
21 |
A" |
1017 |
1117 |
1.099 |
75 |
482 |
|
|
22 |
A" |
788 |
816 |
1.035 |
75 |
483 |
|
|
23 |
A" |
303 |
259 |
0.855 |
75 |
484 |
|
|
24 |
A" |
265 |
218 |
0.823 |
75 |
485 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3237 |
3055 |
0.944 |
76 |
486 |
|
|
2 |
Ag |
1634 |
1580 |
0.967 |
76 |
487 |
|
|
3 |
Ag |
1271 |
1233 |
0.970 |
76 |
488 |
|
|
4 |
Ag |
1042 |
1016 |
0.975 |
76 |
489 |
|
|
5 |
Ag |
604 |
602 |
0.997 |
76 |
490 |
|
|
6 |
Au |
1023 |
960 |
0.939 |
76 |
491 |
|
|
7 |
Au |
354 |
350 |
0.989 |
76 |
492 |
|
|
8 |
B1g |
971 |
927 |
0.955 |
76 |
493 |
|
|
9 |
B1u |
3211 |
3012 |
0.938 |
76 |
494 |
|
|
10 |
B1u |
1519 |
1483 |
0.976 |
76 |
495 |
|
|
11 |
B1u |
1174 |
1130 |
0.963 |
76 |
496 |
|
|
12 |
B1u |
1044 |
1018 |
0.975 |
76 |
497 |
|
|
13 |
B2g |
1016 |
983 |
0.968 |
76 |
498 |
|
|
14 |
B2g |
791 |
756 |
0.955 |
76 |
499 |
|
|
15 |
B2u |
3232 |
3069 |
0.950 |
76 |
500 |
|
|
16 |
B2u |
1465 |
1411 |
0.963 |
76 |
501 |
|
|
17 |
B2u |
1376 |
1149 |
0.835 |
76 |
502 |
|
|
18 |
B2u |
1100 |
1063 |
0.966 |
76 |
503 |
|
|
19 |
B3g |
3210 |
3040 |
0.947 |
76 |
504 |
|
|
20 |
B3g |
1577 |
1525 |
0.967 |
76 |
505 |
|
|
21 |
B3g |
1381 |
1346 |
0.975 |
76 |
506 |
|
|
22 |
B3g |
714 |
704 |
0.986 |
76 |
507 |
|
|
23 |
B3u |
829 |
785 |
0.947 |
76 |
508 |
|
|
24 |
B3u |
433 |
418 |
0.966 |
76 |
509 |
CH3CH2CHO |
Propanal |
1 |
A' |
3187 |
2981 |
0.935 |
77 |
510 |
|
|
2 |
A' |
3111 |
2904 |
0.933 |
77 |
511 |
|
|
3 |
A' |
3082 |
2895 |
0.939 |
77 |
512 |
|
|
4 |
A' |
2969 |
2809 |
0.946 |
77 |
513 |
|
|
5 |
A' |
1787 |
1743 |
0.975 |
77 |
514 |
|
|
6 |
A' |
1528 |
1460 |
0.956 |
77 |
515 |
|
|
7 |
A' |
1476 |
1416 |
0.959 |
77 |
516 |
|
|
8 |
A' |
1446 |
1390 |
0.961 |
77 |
517 |
|
|
9 |
A' |
1427 |
1376 |
0.964 |
77 |
518 |
|
|
10 |
A' |
1387 |
1335 |
0.963 |
77 |
519 |
|
|
11 |
A' |
1137 |
1093 |
0.962 |
77 |
520 |
|
|
12 |
A' |
1023 |
993 |
0.971 |
77 |
521 |
|
|
13 |
A' |
888 |
848 |
0.955 |
77 |
522 |
|
|
14 |
A' |
681 |
668 |
0.981 |
77 |
523 |
|
|
15 |
A' |
261 |
271 |
1.037 |
77 |
524 |
|
|
16 |
A" |
3186 |
2992 |
0.939 |
77 |
525 |
|
|
17 |
A" |
3107 |
2942 |
0.947 |
77 |
526 |
|
|
18 |
A" |
1523 |
1451 |
0.953 |
77 |
527 |
|
|
19 |
A" |
1300 |
1250 |
0.961 |
77 |
528 |
|
|
20 |
A" |
1164 |
1118 |
0.961 |
77 |
529 |
|
|
21 |
A" |
923 |
892 |
0.967 |
77 |
530 |
|
|
22 |
A" |
682 |
660 |
0.968 |
77 |
531 |
|
|
23 |
A" |
255 |
220 |
0.862 |
77 |
532 |
|
|
24 |
A" |
153 |
135 |
0.883 |
77 |
533 |
C3H6S |
Thietane |
1 |
A' |
3185 |
2994 |
0.940 |
78 |
534 |
|
|
2 |
A' |
3160 |
2972 |
0.941 |
78 |
535 |
|
|
3 |
A' |
3119 |
2946 |
0.945 |
78 |
536 |
|
|
4 |
A' |
3109 |
2903 |
0.934 |
78 |
537 |
|
|
5 |
A' |
1526 |
1470 |
0.963 |
78 |
538 |
|
|
6 |
A' |
1500 |
1452 |
0.968 |
78 |
539 |
|
|
7 |
A' |
1261 |
1224 |
0.970 |
78 |
540 |
|
|
8 |
A' |
1220 |
1183 |
0.970 |
78 |
541 |
|
|
9 |
A' |
1010 |
975 |
0.965 |
78 |
542 |
|
|
10 |
A' |
972 |
933 |
0.960 |
78 |
543 |
|
|
11 |
A' |
891 |
845 |
0.949 |
78 |
544 |
|
|
12 |
A' |
715 |
700 |
0.980 |
78 |
545 |
|
|
13 |
A' |
530 |
529 |
0.999 |
78 |
546 |
|
|
14 |
A' |
198 |
|
|
78 |
547 |
|
|
15 |
A" |
3182 |
2994 |
0.941 |
78 |
548 |
|
|
16 |
A" |
3122 |
2950 |
0.945 |
78 |
549 |
|
|
17 |
A" |
1501 |
1454 |
0.969 |
78 |
550 |
|
|
18 |
A" |
1316 |
1281 |
0.973 |
78 |
551 |
|
|
19 |
A" |
1268 |
1229 |
0.969 |
78 |
552 |
|
|
20 |
A" |
1200 |
1165 |
0.970 |
78 |
553 |
|
|
21 |
A" |
1049 |
1011 |
0.964 |
78 |
554 |
|
|
22 |
A" |
1002 |
986 |
0.984 |
78 |
555 |
|
|
23 |
A" |
832 |
823 |
0.989 |
78 |
556 |
|
|
24 |
A" |
710 |
677 |
0.953 |
78 |
557 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3196 |
2990 |
0.936 |
79 |
558 |
|
|
2 |
A |
3179 |
2983 |
0.938 |
79 |
559 |
|
|
3 |
A |
3097 |
2913 |
0.941 |
79 |
560 |
|
|
4 |
A |
1499 |
1426 |
0.951 |
79 |
561 |
|
|
5 |
A |
1488 |
1419 |
0.954 |
79 |
562 |
|
|
6 |
A |
1360 |
1311 |
0.964 |
79 |
563 |
|
|
7 |
A |
987 |
955 |
0.967 |
79 |
564 |
|
|
8 |
A |
977 |
949 |
0.971 |
79 |
565 |
|
|
9 |
A |
737 |
694 |
0.942 |
79 |
566 |
|
|
10 |
A |
545 |
509 |
0.934 |
79 |
567 |
|
|
11 |
A |
241 |
240 |
0.996 |
79 |
568 |
|
|
12 |
A |
159 |
134 |
0.842 |
79 |
569 |
|
|
13 |
A |
104 |
117 |
1.122 |
79 |
570 |
|
|
14 |
B |
3196 |
2990 |
0.936 |
79 |
571 |
|
|
15 |
B |
3179 |
2983 |
0.938 |
79 |
572 |
|
|
16 |
B |
3096 |
2915 |
0.942 |
79 |
573 |
|
|
17 |
B |
1503 |
1430 |
0.951 |
79 |
574 |
|
|
18 |
B |
1482 |
1415 |
0.955 |
79 |
575 |
|
|
19 |
B |
1352 |
1303 |
0.964 |
79 |
576 |
|
|
20 |
B |
985 |
955 |
0.970 |
79 |
577 |
|
|
21 |
B |
977 |
949 |
0.971 |
79 |
578 |
|
|
22 |
B |
733 |
691 |
0.943 |
79 |
579 |
|
|
23 |
B |
272 |
274 |
1.008 |
79 |
580 |
|
|
24 |
B |
172 |
134 |
0.780 |
79 |
581 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3228 |
3035 |
0.940 |
80 |
582 |
|
|
2 |
A' |
3224 |
3031 |
0.940 |
80 |
583 |
|
|
3 |
A' |
3119 |
2966 |
0.951 |
80 |
584 |
|
|
4 |
A' |
3115 |
2964 |
0.951 |
80 |
585 |
|
|
5 |
A' |
1821 |
1771 |
0.973 |
80 |
586 |
|
|
6 |
A' |
1534 |
1460 |
0.952 |
80 |
587 |
|
|
7 |
A' |
1500 |
1440 |
0.960 |
80 |
588 |
|
|
8 |
A' |
1494 |
1430 |
0.957 |
80 |
589 |
|
|
9 |
A' |
1414 |
1375 |
0.972 |
80 |
590 |
|
|
10 |
A' |
1302 |
1248 |
0.959 |
80 |
591 |
|
|
11 |
A' |
1225 |
1159 |
0.946 |
80 |
592 |
|
|
12 |
A' |
1104 |
1060 |
0.960 |
80 |
593 |
|
|
13 |
A' |
1006 |
980 |
0.975 |
80 |
594 |
|
|
14 |
A' |
876 |
844 |
0.964 |
80 |
595 |
|
|
15 |
A' |
657 |
639 |
0.972 |
80 |
596 |
|
|
16 |
A' |
430 |
429 |
0.998 |
80 |
597 |
|
|
17 |
A' |
294 |
303 |
1.029 |
80 |
598 |
|
|
18 |
A" |
3192 |
3005 |
0.941 |
80 |
599 |
|
|
19 |
A" |
3190 |
2994 |
0.939 |
80 |
600 |
|
|
20 |
A" |
1519 |
1460 |
0.961 |
80 |
601 |
|
|
21 |
A" |
1507 |
1430 |
0.949 |
80 |
602 |
|
|
22 |
A" |
1199 |
1187 |
0.990 |
80 |
603 |
|
|
23 |
A" |
1077 |
1036 |
0.962 |
80 |
604 |
|
|
24 |
A" |
622 |
607 |
0.976 |
80 |
605 |
|
|
25 |
A" |
186 |
187 |
1.004 |
80 |
606 |
|
|
26 |
A" |
170 |
136 |
0.798 |
80 |
607 |
|
|
27 |
A" |
69 |
110 |
1.588 |
80 |
608 |
C6H6 |
Fulvene |
1 |
A1 |
3292 |
3088 |
0.938 |
81 |
609 |
|
|
2 |
A1 |
3266 |
3051 |
0.934 |
81 |
610 |
|
|
3 |
A1 |
3197 |
3008 |
0.941 |
81 |
611 |
|
|
4 |
A1 |
1708 |
1632 |
0.956 |
81 |
612 |
|
|
5 |
A1 |
1525 |
1486 |
0.975 |
81 |
613 |
|
|
6 |
A1 |
1472 |
1449 |
0.984 |
81 |
614 |
|
|
7 |
A1 |
1383 |
1342 |
0.970 |
81 |
615 |
|
|
8 |
A1 |
1108 |
1082 |
0.976 |
81 |
616 |
|
|
9 |
A1 |
1032 |
986 |
0.956 |
81 |
617 |
|
|
10 |
A1 |
925 |
894 |
0.966 |
81 |
618 |
|
|
11 |
A1 |
679 |
641 |
0.945 |
81 |
619 |
|
|
12 |
A2 |
935 |
|
|
81 |
620 |
|
|
13 |
A2 |
792 |
|
|
81 |
621 |
|
|
14 |
A2 |
696 |
666 |
0.957 |
81 |
622 |
|
|
15 |
A2 |
493 |
494 |
1.002 |
81 |
623 |
|
|
16 |
B1 |
990 |
926 |
0.935 |
81 |
624 |
|
|
17 |
B1 |
930 |
907 |
0.975 |
81 |
625 |
|
|
18 |
B1 |
806 |
769 |
0.954 |
81 |
626 |
|
|
19 |
B1 |
645 |
613 |
0.950 |
81 |
627 |
|
|
20 |
B1 |
210 |
|
|
81 |
628 |
|
|
21 |
B2 |
3284 |
|
|
81 |
629 |
|
|
22 |
B2 |
3280 |
3104 |
0.946 |
81 |
630 |
|
|
23 |
B2 |
3256 |
3075 |
0.944 |
81 |
631 |
|
|
24 |
B2 |
1599 |
1550 |
0.969 |
81 |
632 |
|
|
25 |
B2 |
1361 |
1314 |
0.965 |
81 |
633 |
|
|
26 |
B2 |
1271 |
1232 |
0.969 |
81 |
634 |
|
|
27 |
B2 |
1109 |
1077 |
0.971 |
81 |
635 |
|
|
28 |
B2 |
977 |
952 |
0.974 |
81 |
636 |
|
|
29 |
B2 |
813 |
795 |
0.977 |
81 |
637 |
|
|
30 |
B2 |
340 |
350 |
1.030 |
81 |
638 |
C5H8 |
Cyclopentene |
1 |
A' |
3265 |
3066 |
0.939 |
82 |
639 |
|
|
2 |
A' |
3158 |
2958 |
0.937 |
82 |
640 |
|
|
3 |
A' |
3132 |
2916 |
0.931 |
82 |
641 |
|
|
4 |
A' |
3102 |
2902 |
0.935 |
82 |
642 |
|
|
5 |
A' |
3066 |
2852 |
0.930 |
82 |
643 |
|
|
6 |
A' |
1670 |
1616 |
0.968 |
82 |
644 |
|
|
7 |
A' |
1524 |
1467 |
0.962 |
82 |
645 |
|
|
8 |
A' |
1500 |
1449 |
0.966 |
82 |
646 |
|
|
9 |
A' |
1335 |
1302 |
0.975 |
82 |
647 |
|
|
10 |
A' |
1250 |
1284 |
1.027 |
82 |
648 |
|
|
11 |
A' |
1142 |
1213 |
1.062 |
82 |
649 |
|
|
12 |
A' |
1077 |
1048 |
0.973 |
82 |
650 |
|
|
13 |
A' |
999 |
964 |
0.965 |
82 |
651 |
|
|
14 |
A' |
937 |
962 |
1.026 |
82 |
652 |
|
|
15 |
A' |
849 |
904 |
1.065 |
82 |
653 |
|
|
16 |
A' |
730 |
692 |
0.948 |
82 |
654 |
|
|
17 |
A' |
589 |
603 |
1.023 |
82 |
655 |
|
|
18 |
A' |
189 |
254 |
1.343 |
82 |
656 |
|
|
19 |
A" |
3233 |
3039 |
0.940 |
82 |
657 |
|
|
20 |
A" |
3129 |
2967 |
0.948 |
82 |
658 |
|
|
21 |
A" |
3070 |
2927 |
0.954 |
82 |
659 |
|
|
22 |
A" |
1506 |
1467 |
0.974 |
82 |
660 |
|
|
23 |
A" |
1395 |
1432 |
1.026 |
82 |
661 |
|
|
24 |
A" |
1338 |
1356 |
1.013 |
82 |
662 |
|
|
25 |
A" |
1314 |
1302 |
0.991 |
82 |
663 |
|
|
26 |
A" |
1229 |
1297 |
1.056 |
82 |
664 |
|
|
27 |
A" |
1159 |
1207 |
1.041 |
82 |
665 |
|
|
28 |
A" |
1059 |
1113 |
1.051 |
82 |
666 |
|
|
29 |
A" |
978 |
1082 |
1.107 |
82 |
667 |
|
|
30 |
A" |
941 |
937 |
0.996 |
82 |
668 |
|
|
31 |
A" |
900 |
800 |
0.889 |
82 |
669 |
|
|
32 |
A" |
782 |
702 |
0.898 |
82 |
670 |
|
|
33 |
A" |
399 |
387 |
0.970 |
82 |
671 |
C4H9N |
Pyrrolidine |
1 |
A' |
3568 |
3356 |
0.941 |
83 |
672 |
|
|
2 |
A' |
3177 |
2975 |
0.937 |
83 |
673 |
|
|
3 |
A' |
3145 |
2927 |
0.931 |
83 |
674 |
|
|
4 |
A' |
3128 |
2889 |
0.924 |
83 |
675 |
|
|
5 |
A' |
2996 |
2824 |
0.942 |
83 |
676 |
|
|
6 |
A' |
1548 |
1484 |
0.959 |
83 |
677 |
|
|
7 |
A' |
1525 |
1447 |
0.949 |
83 |
678 |
|
|
8 |
A' |
1403 |
1292 |
0.921 |
83 |
679 |
|
|
9 |
A' |
1332 |
1273 |
0.956 |
83 |
680 |
|
|
10 |
A' |
1263 |
1228 |
0.972 |
83 |
681 |
|
|
11 |
A' |
1239 |
1181 |
0.953 |
83 |
682 |
|
|
12 |
A' |
1091 |
974 |
0.893 |
83 |
683 |
|
|
13 |
A' |
1021 |
920 |
0.901 |
83 |
684 |
|
|
14 |
A' |
967 |
901 |
0.931 |
83 |
685 |
|
|
15 |
A' |
930 |
871 |
0.937 |
83 |
686 |
|
|
16 |
A' |
897 |
832 |
0.927 |
83 |
687 |
|
|
17 |
A' |
775 |
789 |
1.019 |
83 |
688 |
|
|
18 |
A' |
582 |
579 |
0.995 |
83 |
689 |
|
|
19 |
A' |
320 |
299 |
0.936 |
83 |
690 |
|
|
20 |
A" |
3157 |
2967 |
0.940 |
83 |
691 |
|
|
21 |
A" |
3140 |
2916 |
0.929 |
83 |
692 |
|
|
22 |
A" |
3117 |
2879 |
0.924 |
83 |
693 |
|
|
23 |
A" |
2996 |
2818 |
0.940 |
83 |
694 |
|
|
24 |
A" |
1529 |
1459 |
0.954 |
83 |
695 |
|
|
25 |
A" |
1504 |
1412 |
0.939 |
83 |
696 |
|
|
26 |
A" |
1440 |
1341 |
0.931 |
83 |
697 |
|
|
27 |
A" |
1335 |
1268 |
0.949 |
83 |
698 |
|
|
28 |
A" |
1315 |
1211 |
0.921 |
83 |
699 |
|
|
29 |
A" |
1258 |
1203 |
0.956 |
83 |
700 |
|
|
30 |
A" |
1215 |
1171 |
0.964 |
83 |
701 |
|
|
31 |
A" |
1152 |
1099 |
0.954 |
83 |
702 |
|
|
32 |
A" |
1115 |
1023 |
0.918 |
83 |
703 |
|
|
33 |
A" |
958 |
883 |
0.921 |
83 |
704 |
|
|
34 |
A" |
880 |
848 |
0.963 |
83 |
705 |
|
|
35 |
A" |
625 |
600 |
0.961 |
83 |
706 |
|
|
36 |
A" |
51 |
65 |
1.266 |
83 |
707 |
C8H8 |
cubane |
1 |
A1g |
3184 |
2995 |
0.941 |
84 |
708 |
|
|
2 |
A1g |
1043 |
1002 |
0.961 |
84 |
709 |
|
|
3 |
A2u |
3123 |
2978 |
0.954 |
84 |
710 |
|
|
4 |
A2u |
1015 |
839 |
0.826 |
84 |
711 |
|
|
5 |
Eg |
1131 |
1083 |
0.957 |
84 |
712 |
|
|
6 |
Eg |
936 |
912 |
0.975 |
84 |
713 |
|
|
7 |
Eu |
1174 |
1151 |
0.980 |
84 |
714 |
|
|
8 |
Eu |
609 |
617 |
1.013 |
84 |
715 |
|
|
9 |
T1g |
1173 |
1130 |
0.964 |
84 |
716 |
|
|
10 |
T1u |
3162 |
2978 |
0.942 |
84 |
717 |
|
|
11 |
T1u |
1273 |
1230 |
0.966 |
84 |
718 |
|
|
12 |
T1u |
882 |
853 |
0.967 |
84 |
719 |
|
|
13 |
T2g |
3145 |
2970 |
0.944 |
84 |
720 |
|
|
14 |
T2g |
1218 |
1182 |
0.970 |
84 |
721 |
|
|
15 |
T2g |
844 |
821 |
0.973 |
84 |
722 |
|
|
16 |
T2g |
661 |
665 |
1.007 |
84 |
723 |
|
|
17 |
T2u |
1075 |
1036 |
0.964 |
84 |
724 |
|
|
18 |
T2u |
852 |
829 |
0.973 |
84 |
725 |