H2 |
Hydrogen diatomic |
1 |
Σg |
4477 |
4161 |
0.929 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1392 |
1360 |
0.977 |
2 |
2 |
NaH |
sodium hydride |
1 |
Σ |
1133 |
1133 |
1.000 |
3 |
3 |
CH |
Methylidyne |
1 |
Σ |
2686 |
2733 |
1.018 |
4 |
4 |
|
|
1 |
Σ |
3137 |
|
|
4 |
5 |
CN |
Cyano radical |
1 |
Σ |
2114 |
2042 |
0.966 |
5 |
6 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2322 |
2330 |
1.004 |
6 |
7 |
|
|
1 |
Σg |
1653 |
1733 |
1.049 |
6 |
8 |
OH |
Hydroxyl radical |
1 |
Σ |
3345 |
3570 |
1.067 |
7 |
9 |
BeO |
beryllium oxide |
1 |
Σ |
1565 |
1435 |
0.916 |
8 |
10 |
CO |
Carbon monoxide |
1 |
Σ |
2113 |
2143 |
1.014 |
9 |
11 |
|
|
1 |
Σ |
1686 |
|
|
9 |
12 |
MgO |
magnesium oxide |
1 |
Σ |
891 |
775 |
0.870 |
10 |
13 |
CS |
carbon monosulfide |
1 |
Σ |
1305 |
1272 |
0.975 |
11 |
14 |
HF |
Hydrogen fluoride |
1 |
Σ |
3732 |
3961 |
1.061 |
12 |
15 |
CF |
Fluoromethylidyne |
1 |
Σ |
1276 |
1286 |
1.008 |
13 |
16 |
F2 |
Fluorine diatomic |
1 |
Σg |
1146 |
894 |
0.780 |
14 |
17 |
NaF |
sodium fluoride |
1 |
Σ |
646 |
529 |
0.819 |
15 |
18 |
HCl |
Hydrogen chloride |
1 |
Σ |
2977 |
2886 |
0.970 |
16 |
19 |
LiCl |
lithium chloride |
1 |
Σ |
622 |
634 |
1.020 |
17 |
20 |
CCl |
carbon monochloride |
1 |
Σ |
783 |
866 |
1.106 |
18 |
21 |
NaCl |
Sodium Chloride |
1 |
Σ |
346 |
361 |
1.044 |
19 |
22 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
523 |
554 |
1.061 |
20 |
23 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1636 |
1572 |
0.961 |
21 |
24 |
|
|
3 |
Πu |
441 |
440 |
0.998 |
21 |
25 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3520 |
3312 |
0.941 |
22 |
26 |
|
|
2 |
Σ |
2195 |
2089 |
0.952 |
22 |
27 |
|
|
3 |
Π |
910 |
712 |
0.782 |
22 |
28 |
HNC |
hydrogen isocyanide |
1 |
Σ |
3788 |
3653 |
0.964 |
23 |
29 |
|
|
2 |
Σ |
2090 |
2029 |
0.971 |
23 |
30 |
|
|
3 |
Π |
630 |
477 |
0.757 |
23 |
31 |
HCP |
Phosphaethyne |
1 |
Σ |
3401 |
3217 |
0.946 |
24 |
32 |
|
|
2 |
Σ |
1375 |
1278 |
0.930 |
24 |
33 |
|
|
3 |
Π |
781 |
674 |
0.863 |
24 |
34 |
H2O |
Water |
1 |
A1 |
3514 |
3657 |
1.041 |
25 |
35 |
|
|
2 |
A1 |
1701 |
1595 |
0.938 |
25 |
36 |
|
|
3 |
B2 |
3658 |
3756 |
1.027 |
25 |
37 |
LiOH |
lithium hydroxide |
1 |
Σ |
3772 |
3688 |
0.978 |
26 |
38 |
|
|
2 |
Σ |
1124 |
871 |
0.774 |
26 |
39 |
|
|
3 |
Π |
424 |
257 |
0.605 |
26 |
40 |
HCO |
Formyl radical |
1 |
A' |
2718 |
2434 |
0.896 |
27 |
41 |
|
|
2 |
A' |
1860 |
1868 |
1.004 |
27 |
42 |
|
|
3 |
A' |
1122 |
1081 |
0.963 |
27 |
43 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3392 |
3436 |
1.013 |
28 |
44 |
|
|
2 |
A' |
1369 |
1392 |
1.017 |
28 |
45 |
|
|
3 |
A' |
1124 |
1098 |
0.976 |
28 |
46 |
CO2 |
Carbon dioxide |
1 |
Σg |
1317 |
1333 |
1.012 |
29 |
47 |
|
|
2 |
Σu |
2383 |
2349 |
0.986 |
29 |
48 |
|
|
3 |
Πu |
595 |
667 |
1.120 |
29 |
49 |
NaOH |
sodium hydroxide |
1 |
Σ |
3650 |
3637 |
0.996 |
30 |
50 |
|
|
2 |
Σ |
685 |
540 |
0.789 |
30 |
51 |
|
|
3 |
Π |
287 |
300 |
1.046 |
30 |
52 |
SiO2 |
silicon dioxide |
2 |
Σu |
1494 |
1416 |
0.948 |
31 |
53 |
|
|
3 |
Πu |
262 |
273 |
1.041 |
31 |
54 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2737 |
2615 |
0.956 |
32 |
55 |
|
|
2 |
A1 |
1274 |
1183 |
0.929 |
32 |
56 |
|
|
3 |
B2 |
2751 |
2626 |
0.955 |
32 |
57 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2105 |
2062 |
0.979 |
33 |
58 |
|
|
2 |
Σ |
887 |
859 |
0.968 |
33 |
59 |
|
|
3 |
Π |
546 |
520 |
0.952 |
33 |
60 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1163 |
1151 |
0.990 |
34 |
61 |
|
|
2 |
A1 |
519 |
518 |
0.997 |
34 |
62 |
|
|
3 |
B2 |
1387 |
1362 |
0.982 |
34 |
63 |
CS2 |
Carbon disulfide |
1 |
Σg |
693 |
658 |
0.950 |
35 |
64 |
|
|
2 |
Σu |
1619 |
1535 |
0.948 |
35 |
65 |
|
|
3 |
Πu |
418 |
397 |
0.949 |
35 |
66 |
CF2 |
Difluoromethylene |
1 |
A1 |
1210 |
1225 |
1.012 |
36 |
67 |
|
|
2 |
A1 |
612 |
667 |
1.090 |
36 |
68 |
|
|
3 |
B2 |
1160 |
1114 |
0.961 |
36 |
69 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1062 |
1075 |
1.012 |
37 |
70 |
|
|
2 |
A1 |
484 |
573 |
1.183 |
37 |
71 |
|
|
3 |
B2 |
982 |
942 |
0.960 |
37 |
72 |
F2O |
Difluorine monoxide |
1 |
A1 |
1051 |
928 |
0.883 |
38 |
73 |
|
|
2 |
A1 |
411 |
461 |
1.122 |
38 |
74 |
|
|
3 |
B2 |
1018 |
831 |
0.817 |
38 |
75 |
ClCN |
chlorocyanogen |
1 |
Σ |
2329 |
2216 |
0.951 |
39 |
76 |
|
|
2 |
Σ |
760 |
744 |
0.979 |
39 |
77 |
|
|
3 |
Π |
480 |
378 |
0.787 |
39 |
78 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1602 |
1800 |
1.123 |
40 |
79 |
|
|
2 |
A' |
617 |
596 |
0.966 |
40 |
80 |
|
|
3 |
A' |
353 |
332 |
0.941 |
40 |
81 |
CCl2 |
dichloromethylene |
1 |
A1 |
674 |
730 |
1.083 |
41 |
82 |
|
|
2 |
A1 |
326 |
335 |
1.027 |
41 |
83 |
|
|
3 |
B2 |
643 |
758 |
1.179 |
41 |
84 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1955 |
1900 |
0.972 |
42 |
85 |
|
|
2 |
A2" |
704 |
698 |
0.992 |
42 |
86 |
|
|
3 |
E' |
1969 |
1883 |
0.956 |
42 |
87 |
|
|
4 |
E' |
782 |
783 |
1.001 |
42 |
88 |
C2H2 |
Acetylene |
1 |
Σg |
3568 |
3374 |
0.946 |
43 |
89 |
|
|
2 |
Σg |
2101 |
1974 |
0.939 |
43 |
90 |
|
|
3 |
Σu |
3455 |
3289 |
0.952 |
43 |
91 |
|
|
4 |
Πg |
741 |
612 |
0.826 |
43 |
92 |
|
|
5 |
Πu |
801 |
730 |
0.911 |
43 |
93 |
NH3 |
Ammonia |
1 |
A1 |
3461 |
3337 |
0.964 |
44 |
94 |
|
|
2 |
A1 |
727 |
950 |
1.307 |
44 |
95 |
|
|
3 |
E |
3625 |
3444 |
0.950 |
44 |
96 |
|
|
4 |
E |
1748 |
1627 |
0.931 |
44 |
97 |
C2N2 |
Cyanogen |
1 |
Σg |
2481 |
2330 |
0.939 |
45 |
98 |
|
|
2 |
Σg |
906 |
846 |
0.933 |
45 |
99 |
|
|
3 |
Σu |
2275 |
2158 |
0.949 |
45 |
100 |
|
|
4 |
Πg |
795 |
503 |
0.633 |
45 |
101 |
|
|
5 |
Πu |
324 |
234 |
0.723 |
45 |
102 |
H2CO |
Formaldehyde |
1 |
A1 |
2946 |
2782 |
0.944 |
46 |
103 |
|
|
2 |
A1 |
1778 |
1746 |
0.982 |
46 |
104 |
|
|
3 |
A1 |
1585 |
1500 |
0.946 |
46 |
105 |
|
|
4 |
B1 |
1228 |
1167 |
0.950 |
46 |
106 |
|
|
5 |
B2 |
2999 |
2843 |
0.948 |
46 |
107 |
|
|
6 |
B2 |
1287 |
1249 |
0.970 |
46 |
108 |
HNCO |
Isocyanic acid |
1 |
A' |
3807 |
3538 |
0.929 |
47 |
109 |
|
|
2 |
A' |
2426 |
2269 |
0.935 |
47 |
110 |
|
|
3 |
A' |
1341 |
1327 |
0.990 |
47 |
111 |
|
|
4 |
A' |
605 |
777 |
1.284 |
47 |
112 |
|
|
5 |
A' |
450 |
577 |
1.284 |
47 |
113 |
|
|
6 |
A" |
607 |
656 |
1.082 |
47 |
114 |
HNO2 |
Nitrous acid |
1 |
A' |
3520 |
3591 |
1.020 |
48 |
115 |
|
|
2 |
A' |
1527 |
1700 |
1.113 |
48 |
116 |
|
|
3 |
A' |
1246 |
1263 |
1.014 |
48 |
117 |
|
|
4 |
A' |
882 |
790 |
0.895 |
48 |
118 |
|
|
5 |
A' |
585 |
596 |
1.019 |
48 |
119 |
|
|
6 |
A" |
556 |
543 |
0.976 |
48 |
120 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3105 |
2971 |
0.957 |
49 |
121 |
|
|
2 |
A1 |
1555 |
1456 |
0.936 |
49 |
122 |
|
|
3 |
A1 |
1122 |
1059 |
0.944 |
49 |
123 |
|
|
4 |
B1 |
1059 |
990 |
0.935 |
49 |
124 |
|
|
5 |
B2 |
3188 |
3025 |
0.949 |
49 |
125 |
|
|
6 |
B2 |
1048 |
991 |
0.946 |
49 |
126 |
SO3 |
Sulfur trioxide |
1 |
A1' |
1049 |
1065 |
1.015 |
50 |
127 |
|
|
2 |
A2" |
461 |
498 |
1.081 |
50 |
128 |
|
|
3 |
E' |
1399 |
1391 |
0.994 |
50 |
129 |
|
|
4 |
E' |
513 |
530 |
1.034 |
50 |
130 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1972 |
1928 |
0.978 |
51 |
131 |
|
|
2 |
A1 |
968 |
965 |
0.997 |
51 |
132 |
|
|
3 |
A1 |
555 |
584 |
1.052 |
51 |
133 |
|
|
4 |
B1 |
752 |
774 |
1.030 |
51 |
134 |
|
|
5 |
B2 |
1318 |
1249 |
0.948 |
51 |
135 |
|
|
6 |
B2 |
619 |
626 |
1.012 |
51 |
136 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
905 |
888 |
0.982 |
52 |
137 |
|
|
2 |
A2" |
650 |
691 |
1.062 |
52 |
138 |
|
|
3 |
E' |
1581 |
1449 |
0.917 |
52 |
139 |
|
|
4 |
E' |
473 |
480 |
1.015 |
52 |
140 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1055 |
1089 |
1.033 |
53 |
141 |
|
|
2 |
A1 |
658 |
701 |
1.066 |
53 |
142 |
|
|
3 |
E |
1319 |
1260 |
0.955 |
53 |
143 |
|
|
4 |
E |
476 |
509 |
1.068 |
53 |
144 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1009 |
1032 |
1.023 |
54 |
145 |
|
|
2 |
A1 |
558 |
647 |
1.160 |
54 |
146 |
|
|
3 |
E |
949 |
907 |
0.956 |
54 |
147 |
|
|
4 |
E |
413 |
492 |
1.192 |
54 |
148 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
747 |
690 |
0.924 |
55 |
149 |
|
|
2 |
A2" |
290 |
297 |
1.023 |
55 |
150 |
|
|
3 |
E' |
1056 |
935 |
0.886 |
55 |
151 |
|
|
4 |
E' |
250 |
263 |
1.054 |
55 |
152 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
950 |
892 |
0.939 |
56 |
153 |
|
|
2 |
A1 |
474 |
487 |
1.028 |
56 |
154 |
|
|
3 |
E |
958 |
860 |
0.898 |
56 |
155 |
|
|
4 |
E |
337 |
344 |
1.022 |
56 |
156 |
C2Cl2 |
dichloroacetylene |
4 |
Πg |
526 |
333 |
0.633 |
57 |
157 |
|
|
5 |
Πu |
196 |
172 |
0.878 |
57 |
158 |
CCl2O |
Phosgene |
1 |
A1 |
1823 |
1827 |
1.002 |
58 |
159 |
|
|
2 |
A1 |
550 |
567 |
1.031 |
58 |
160 |
|
|
3 |
A1 |
311 |
285 |
0.917 |
58 |
161 |
|
|
4 |
B1 |
596 |
580 |
0.974 |
58 |
162 |
|
|
5 |
B2 |
772 |
849 |
1.100 |
58 |
163 |
|
|
6 |
B2 |
428 |
440 |
1.029 |
58 |
164 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
392 |
375 |
0.958 |
59 |
165 |
|
|
2 |
A2" |
201 |
183 |
0.910 |
59 |
166 |
|
|
3 |
E' |
641 |
595 |
0.928 |
59 |
167 |
|
|
4 |
E' |
149 |
150 |
1.004 |
59 |
168 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
516 |
504 |
0.977 |
60 |
169 |
|
|
2 |
A1 |
264 |
252 |
0.954 |
60 |
170 |
|
|
3 |
E |
497 |
482 |
0.970 |
60 |
171 |
|
|
4 |
E |
192 |
198 |
1.031 |
60 |
172 |
CH4 |
Methane |
1 |
A1 |
3069 |
2917 |
0.951 |
61 |
173 |
|
|
2 |
E |
1642 |
1534 |
0.934 |
61 |
174 |
|
|
3 |
T2 |
3184 |
3019 |
0.948 |
61 |
175 |
|
|
4 |
T2 |
1412 |
1306 |
0.925 |
61 |
176 |
CH2NH |
Methanimine |
1 |
A' |
3321 |
3263 |
0.983 |
62 |
177 |
|
|
2 |
A' |
3165 |
3024 |
0.956 |
62 |
178 |
|
|
3 |
A' |
3046 |
2914 |
0.957 |
62 |
179 |
|
|
4 |
A' |
1713 |
1638 |
0.956 |
62 |
180 |
|
|
5 |
A' |
1539 |
1452 |
0.943 |
62 |
181 |
|
|
6 |
A' |
1375 |
1344 |
0.978 |
62 |
182 |
|
|
7 |
A' |
1101 |
1058 |
0.961 |
62 |
183 |
|
|
8 |
A" |
1193 |
1127 |
0.945 |
62 |
184 |
|
|
9 |
A" |
1122 |
1061 |
0.945 |
62 |
185 |
CH2CO |
Ketene |
1 |
A1 |
3226 |
3070 |
0.952 |
63 |
186 |
|
|
2 |
A1 |
2235 |
2152 |
0.963 |
63 |
187 |
|
|
3 |
A1 |
1464 |
1388 |
0.948 |
63 |
188 |
|
|
4 |
A1 |
1199 |
1118 |
0.932 |
63 |
189 |
|
|
5 |
B1 |
746 |
588 |
0.789 |
63 |
190 |
|
|
6 |
B1 |
606 |
528 |
0.872 |
63 |
191 |
|
|
7 |
B2 |
3313 |
3166 |
0.956 |
63 |
192 |
|
|
8 |
B2 |
1056 |
977 |
0.925 |
63 |
193 |
|
|
9 |
B2 |
494 |
433 |
0.877 |
63 |
194 |
HCOOH |
Formic acid |
1 |
A' |
3533 |
3570 |
1.010 |
64 |
195 |
|
|
2 |
A' |
3126 |
2943 |
0.941 |
64 |
196 |
|
|
3 |
A' |
1793 |
1770 |
0.987 |
64 |
197 |
|
|
4 |
A' |
1435 |
1387 |
0.967 |
64 |
198 |
|
|
5 |
A' |
1343 |
1229 |
0.915 |
64 |
199 |
|
|
6 |
A' |
1090 |
1105 |
1.013 |
64 |
200 |
|
|
7 |
A' |
616 |
625 |
1.014 |
64 |
201 |
|
|
8 |
A" |
1088 |
1033 |
0.950 |
64 |
202 |
|
|
9 |
A" |
695 |
638 |
0.917 |
64 |
203 |
HNO3 |
Nitric acid |
1 |
A' |
3480 |
3550 |
1.020 |
65 |
204 |
|
|
2 |
A' |
1576 |
1708 |
1.084 |
65 |
205 |
|
|
3 |
A' |
1247 |
1331 |
1.068 |
65 |
206 |
|
|
4 |
A' |
1182 |
1325 |
1.121 |
65 |
207 |
|
|
5 |
A' |
873 |
879 |
1.006 |
65 |
208 |
|
|
6 |
A' |
613 |
647 |
1.056 |
65 |
209 |
|
|
7 |
A' |
508 |
579 |
1.140 |
65 |
210 |
|
|
8 |
A" |
690 |
762 |
1.104 |
65 |
211 |
|
|
9 |
A" |
489 |
456 |
0.932 |
65 |
212 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2251 |
2196 |
0.976 |
66 |
213 |
|
|
2 |
Σg |
791 |
786 |
0.993 |
66 |
214 |
|
|
3 |
Σu |
2470 |
2258 |
0.914 |
66 |
215 |
|
|
4 |
Σu |
1629 |
1573 |
0.966 |
66 |
216 |
|
|
5 |
Πg |
649 |
573 |
0.883 |
66 |
217 |
|
|
6 |
Πu |
818 |
550 |
0.673 |
66 |
218 |
|
|
7 |
Πu |
153 |
61 |
0.399 |
66 |
219 |
CH3F |
Methyl fluoride |
1 |
A1 |
3058 |
2930 |
0.958 |
67 |
220 |
|
|
2 |
A1 |
1564 |
1464 |
0.936 |
67 |
221 |
|
|
3 |
A1 |
1084 |
1049 |
0.968 |
67 |
222 |
|
|
4 |
E |
3124 |
3006 |
0.962 |
67 |
223 |
|
|
5 |
E |
1573 |
1467 |
0.933 |
67 |
224 |
|
|
6 |
E |
1193 |
1182 |
0.990 |
67 |
225 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3085 |
2948 |
0.955 |
68 |
226 |
|
|
2 |
A1 |
1607 |
1508 |
0.938 |
68 |
227 |
|
|
3 |
A1 |
1105 |
1111 |
1.005 |
68 |
228 |
|
|
4 |
A1 |
499 |
529 |
1.059 |
68 |
229 |
|
|
5 |
A2 |
1285 |
1262 |
0.982 |
68 |
230 |
|
|
6 |
B1 |
3140 |
3014 |
0.960 |
68 |
231 |
|
|
7 |
B1 |
1174 |
1178 |
1.004 |
68 |
232 |
|
|
8 |
B2 |
1516 |
1435 |
0.946 |
68 |
233 |
|
|
9 |
B2 |
1155 |
1090 |
0.944 |
68 |
234 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3182 |
3036 |
0.954 |
69 |
235 |
|
|
2 |
A1 |
1131 |
1117 |
0.988 |
69 |
236 |
|
|
3 |
A1 |
663 |
700 |
1.056 |
69 |
237 |
|
|
4 |
E |
1453 |
1372 |
0.944 |
69 |
238 |
|
|
5 |
E |
1214 |
1152 |
0.949 |
69 |
239 |
|
|
6 |
E |
480 |
507 |
1.057 |
69 |
240 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
894 |
909 |
1.016 |
70 |
241 |
|
|
2 |
E |
412 |
435 |
1.057 |
70 |
242 |
|
|
3 |
T2 |
1372 |
1283 |
0.935 |
70 |
243 |
|
|
4 |
T2 |
602 |
631 |
1.048 |
70 |
244 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
833 |
800 |
0.961 |
71 |
245 |
|
|
2 |
E |
266 |
268 |
1.007 |
71 |
246 |
|
|
3 |
T2 |
1130 |
1032 |
0.914 |
71 |
247 |
|
|
4 |
T2 |
385 |
389 |
1.011 |
71 |
248 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3114 |
2966 |
0.953 |
72 |
249 |
|
|
2 |
A1 |
1443 |
1355 |
0.939 |
72 |
250 |
|
|
3 |
A1 |
709 |
732 |
1.032 |
72 |
251 |
|
|
4 |
E |
3215 |
3042 |
0.946 |
72 |
252 |
|
|
5 |
E |
1550 |
1455 |
0.939 |
72 |
253 |
|
|
6 |
E |
1064 |
1015 |
0.954 |
72 |
254 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3159 |
2999 |
0.949 |
73 |
255 |
|
|
2 |
A1 |
1518 |
1467 |
0.966 |
73 |
256 |
|
|
3 |
A1 |
699 |
717 |
1.026 |
73 |
257 |
|
|
4 |
A1 |
289 |
282 |
0.976 |
73 |
258 |
|
|
5 |
A2 |
1231 |
1153 |
0.937 |
73 |
259 |
|
|
6 |
B1 |
3238 |
3040 |
0.939 |
73 |
260 |
|
|
7 |
B1 |
920 |
898 |
0.976 |
73 |
261 |
|
|
8 |
B2 |
1339 |
1268 |
0.947 |
73 |
262 |
|
|
9 |
B2 |
713 |
758 |
1.064 |
73 |
263 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1090 |
1105 |
1.014 |
74 |
264 |
|
|
2 |
A1 |
738 |
781 |
1.059 |
74 |
265 |
|
|
3 |
A1 |
448 |
476 |
1.063 |
74 |
266 |
|
|
4 |
E |
1298 |
1212 |
0.934 |
74 |
267 |
|
|
5 |
E |
534 |
563 |
1.053 |
74 |
268 |
|
|
6 |
E |
330 |
350 |
1.060 |
74 |
269 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2327 |
2224 |
0.956 |
75 |
270 |
|
|
2 |
A1 |
959 |
954 |
0.995 |
75 |
271 |
|
|
3 |
A1 |
539 |
527 |
0.977 |
75 |
272 |
|
|
4 |
A1 |
190 |
188 |
0.988 |
75 |
273 |
|
|
5 |
A2 |
725 |
710 |
0.980 |
75 |
274 |
|
|
6 |
B1 |
2342 |
2237 |
0.955 |
75 |
275 |
|
|
7 |
B1 |
594 |
602 |
1.014 |
75 |
276 |
|
|
8 |
B2 |
894 |
876 |
0.980 |
75 |
277 |
|
|
9 |
B2 |
607 |
590 |
0.971 |
75 |
278 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
1032 |
1061 |
1.028 |
76 |
279 |
|
|
2 |
A1 |
766 |
715 |
0.933 |
76 |
280 |
|
|
3 |
A1 |
514 |
549 |
1.069 |
76 |
281 |
|
|
4 |
E |
1288 |
1315 |
1.021 |
76 |
282 |
|
|
5 |
E |
547 |
589 |
1.077 |
76 |
283 |
|
|
6 |
E |
372 |
405 |
1.090 |
76 |
284 |
CHCl3 |
Chloroform |
1 |
A1 |
3213 |
3034 |
0.944 |
77 |
285 |
|
|
2 |
A1 |
662 |
680 |
1.027 |
77 |
286 |
|
|
3 |
A1 |
368 |
366 |
0.995 |
77 |
287 |
|
|
4 |
E |
1282 |
1220 |
0.951 |
77 |
288 |
|
|
5 |
E |
723 |
774 |
1.071 |
77 |
289 |
|
|
6 |
E |
265 |
260 |
0.979 |
77 |
290 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1115 |
1101 |
0.988 |
78 |
291 |
|
|
2 |
A1 |
629 |
667 |
1.061 |
78 |
292 |
|
|
3 |
A1 |
431 |
458 |
1.063 |
78 |
293 |
|
|
4 |
A1 |
264 |
262 |
0.994 |
78 |
294 |
|
|
5 |
A2 |
306 |
322 |
1.054 |
78 |
295 |
|
|
6 |
B1 |
831 |
902 |
1.085 |
78 |
296 |
|
|
7 |
B1 |
411 |
437 |
1.064 |
78 |
297 |
|
|
8 |
B2 |
1236 |
1159 |
0.938 |
78 |
298 |
|
|
9 |
B2 |
414 |
446 |
1.078 |
78 |
299 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1119 |
1085 |
0.970 |
79 |
300 |
|
|
2 |
A1 |
509 |
535 |
1.051 |
79 |
301 |
|
|
3 |
A1 |
348 |
350 |
1.006 |
79 |
302 |
|
|
4 |
E |
776 |
847 |
1.092 |
79 |
303 |
|
|
5 |
E |
376 |
394 |
1.047 |
79 |
304 |
|
|
6 |
E |
246 |
241 |
0.978 |
79 |
305 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
453 |
459 |
1.013 |
80 |
306 |
|
|
2 |
E |
223 |
217 |
0.974 |
80 |
307 |
|
|
3 |
T2 |
736 |
776 |
1.055 |
80 |
308 |
|
|
4 |
T2 |
319 |
314 |
0.985 |
80 |
309 |
C2H4 |
Ethylene |
1 |
Ag |
3187 |
3026 |
0.950 |
81 |
310 |
|
|
2 |
Ag |
1721 |
1623 |
0.943 |
81 |
311 |
|
|
3 |
Ag |
1433 |
1342 |
0.936 |
81 |
312 |
|
|
4 |
Au |
1086 |
1023 |
0.942 |
81 |
313 |
|
|
5 |
B1u |
3169 |
2989 |
0.943 |
81 |
314 |
|
|
6 |
B1u |
1532 |
1444 |
0.942 |
81 |
315 |
|
|
7 |
B2g |
1014 |
940 |
0.927 |
81 |
316 |
|
|
8 |
B2u |
3273 |
3105 |
0.949 |
81 |
317 |
|
|
9 |
B2u |
878 |
826 |
0.941 |
81 |
318 |
|
|
10 |
B3g |
3241 |
3086 |
0.952 |
81 |
319 |
|
|
11 |
B3g |
1288 |
1217 |
0.945 |
81 |
320 |
|
|
12 |
B3u |
1000 |
949 |
0.949 |
81 |
321 |
C3H3 |
Propargyl radical |
1 |
A1 |
3504 |
3322 |
0.948 |
82 |
322 |
|
|
6 |
B1 |
712 |
687 |
0.966 |
82 |
323 |
|
|
7 |
B1 |
542 |
490 |
0.904 |
82 |
324 |
C4H2 |
Diacetylene |
6 |
Πg |
737 |
627 |
0.851 |
83 |
325 |
|
|
7 |
Πg |
553 |
482 |
0.871 |
83 |
326 |
|
|
8 |
Πu |
732 |
630 |
0.861 |
83 |
327 |
|
|
9 |
Πu |
226 |
231 |
1.023 |
83 |
328 |
N2H4 |
Hydrazine |
1 |
A |
3538 |
3398 |
0.960 |
84 |
329 |
|
|
2 |
A |
3405 |
3329 |
0.978 |
84 |
330 |
|
|
3 |
A |
1751 |
1642 |
0.938 |
84 |
331 |
|
|
4 |
A |
1319 |
1275 |
0.967 |
84 |
332 |
|
|
5 |
A |
1133 |
1076 |
0.950 |
84 |
333 |
|
|
6 |
A |
635 |
780 |
1.228 |
84 |
334 |
|
|
7 |
A |
483 |
377 |
0.779 |
84 |
335 |
|
|
8 |
B |
3545 |
3350 |
0.945 |
84 |
336 |
|
|
9 |
B |
3392 |
3314 |
0.977 |
84 |
337 |
|
|
10 |
B |
1735 |
1628 |
0.938 |
84 |
338 |
|
|
11 |
B |
1300 |
1275 |
0.981 |
84 |
339 |
|
|
12 |
B |
833 |
966 |
1.160 |
84 |
340 |
CH3CN |
Acetonitrile |
1 |
A1 |
3085 |
2954 |
0.958 |
85 |
341 |
|
|
2 |
A1 |
2385 |
2267 |
0.951 |
85 |
342 |
|
|
3 |
A1 |
1483 |
1385 |
0.934 |
85 |
343 |
|
|
4 |
A1 |
947 |
920 |
0.972 |
85 |
344 |
|
|
5 |
E |
3159 |
3009 |
0.952 |
85 |
345 |
|
|
6 |
E |
1545 |
1448 |
0.937 |
85 |
346 |
|
|
7 |
E |
1125 |
1041 |
0.925 |
85 |
347 |
|
|
8 |
E |
465 |
362 |
0.779 |
85 |
348 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2452 |
2290 |
0.934 |
86 |
349 |
|
|
2 |
Σg |
2238 |
2119 |
0.947 |
86 |
350 |
|
|
3 |
Σg |
629 |
692 |
1.101 |
86 |
351 |
|
|
4 |
Σu |
2374 |
2241 |
0.944 |
86 |
352 |
|
|
5 |
Σu |
1208 |
1154 |
0.955 |
86 |
353 |
|
|
6 |
Πg |
952 |
504 |
0.529 |
86 |
354 |
|
|
7 |
Πg |
353 |
263 |
0.745 |
86 |
355 |
|
|
8 |
Πu |
718 |
472 |
0.658 |
86 |
356 |
|
|
9 |
Πu |
121 |
107 |
0.881 |
86 |
357 |
CH3OH |
Methyl alcohol |
1 |
A' |
3558 |
3681 |
1.034 |
87 |
358 |
|
|
2 |
A' |
3156 |
3000 |
0.951 |
87 |
359 |
|
|
3 |
A' |
3014 |
2844 |
0.944 |
87 |
360 |
|
|
4 |
A' |
1589 |
1477 |
0.929 |
87 |
361 |
|
|
5 |
A' |
1530 |
1455 |
0.951 |
87 |
362 |
|
|
6 |
A' |
1405 |
1345 |
0.957 |
87 |
363 |
|
|
7 |
A' |
1093 |
1060 |
0.970 |
87 |
364 |
|
|
8 |
A' |
1017 |
1033 |
1.016 |
87 |
365 |
|
|
9 |
A" |
3056 |
2960 |
0.969 |
87 |
366 |
|
|
10 |
A" |
1572 |
1477 |
0.940 |
87 |
367 |
|
|
11 |
A" |
1163 |
1165 |
1.002 |
87 |
368 |
|
|
12 |
A" |
385 |
200 |
0.520 |
87 |
369 |
CHONH2 |
formamide |
1 |
A' |
3703 |
3564 |
0.962 |
88 |
370 |
|
|
2 |
A' |
3568 |
3439 |
0.964 |
88 |
371 |
|
|
3 |
A' |
2983 |
2854 |
0.957 |
88 |
372 |
|
|
4 |
A' |
1792 |
1754 |
0.979 |
88 |
373 |
|
|
5 |
A' |
1680 |
1577 |
0.939 |
88 |
374 |
|
|
6 |
A' |
1456 |
1390 |
0.955 |
88 |
375 |
|
|
7 |
A' |
1293 |
1258 |
0.973 |
88 |
376 |
|
|
8 |
A' |
1081 |
1046 |
0.967 |
88 |
377 |
|
|
9 |
A' |
574 |
581 |
1.013 |
88 |
378 |
|
|
10 |
A" |
1095 |
1021 |
0.932 |
88 |
379 |
|
|
11 |
A" |
690 |
603 |
0.874 |
88 |
380 |
|
|
12 |
A" |
523 |
289 |
0.552 |
88 |
381 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3013 |
2843 |
0.944 |
89 |
382 |
|
|
2 |
Ag |
1757 |
1745 |
0.993 |
89 |
383 |
|
|
3 |
Ag |
1397 |
1338 |
0.957 |
89 |
384 |
|
|
4 |
Ag |
1035 |
1065 |
1.029 |
89 |
385 |
|
|
5 |
Ag |
556 |
551 |
0.990 |
89 |
386 |
|
|
6 |
Au |
875 |
801 |
0.916 |
89 |
387 |
|
|
7 |
Au |
204 |
127 |
0.623 |
89 |
388 |
|
|
8 |
Bg |
1126 |
1048 |
0.931 |
89 |
389 |
|
|
9 |
Bu |
3013 |
2835 |
0.941 |
89 |
390 |
|
|
10 |
Bu |
1749 |
1732 |
0.990 |
89 |
391 |
|
|
11 |
Bu |
1358 |
1312 |
0.966 |
89 |
392 |
|
|
12 |
Bu |
315 |
339 |
1.075 |
89 |
393 |
CH3SH |
Methanethiol |
1 |
A' |
3178 |
3000 |
0.944 |
90 |
394 |
|
|
2 |
A' |
3089 |
2931 |
0.949 |
90 |
395 |
|
|
3 |
A' |
2722 |
2597 |
0.954 |
90 |
396 |
|
|
4 |
A' |
1556 |
1475 |
0.948 |
90 |
397 |
|
|
5 |
A' |
1433 |
1335 |
0.932 |
90 |
398 |
|
|
6 |
A' |
1144 |
1074 |
0.939 |
90 |
399 |
|
|
7 |
A' |
836 |
803 |
0.961 |
90 |
400 |
|
|
8 |
A' |
717 |
708 |
0.988 |
90 |
401 |
|
|
9 |
A" |
3179 |
3000 |
0.944 |
90 |
402 |
|
|
10 |
A" |
1549 |
1430 |
0.923 |
90 |
403 |
|
|
11 |
A" |
1017 |
976 |
0.960 |
90 |
404 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3316 |
3115 |
0.939 |
91 |
405 |
|
|
2 |
A' |
3243 |
3080 |
0.950 |
91 |
406 |
|
|
3 |
A' |
3218 |
3052 |
0.948 |
91 |
407 |
|
|
4 |
A' |
1757 |
1654 |
0.942 |
91 |
408 |
|
|
5 |
A' |
1485 |
1380 |
0.930 |
91 |
409 |
|
|
6 |
A' |
1390 |
1306 |
0.940 |
91 |
410 |
|
|
7 |
A' |
1205 |
1156 |
0.960 |
91 |
411 |
|
|
8 |
A' |
972 |
929 |
0.956 |
91 |
412 |
|
|
9 |
A' |
484 |
483 |
0.998 |
91 |
413 |
|
|
10 |
A" |
1026 |
940 |
0.916 |
91 |
414 |
|
|
11 |
A" |
953 |
863 |
0.906 |
91 |
415 |
|
|
12 |
A" |
747 |
711 |
0.951 |
91 |
416 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3261 |
3070 |
0.942 |
92 |
417 |
|
|
2 |
A1 |
1824 |
1728 |
0.947 |
92 |
418 |
|
|
3 |
A1 |
1482 |
1360 |
0.918 |
92 |
419 |
|
|
4 |
A1 |
948 |
926 |
0.976 |
92 |
420 |
|
|
5 |
A1 |
528 |
550 |
1.041 |
92 |
421 |
|
|
6 |
A2 |
740 |
714 |
0.965 |
92 |
422 |
|
|
7 |
B1 |
923 |
803 |
0.870 |
92 |
423 |
|
|
8 |
B1 |
655 |
611 |
0.932 |
92 |
424 |
|
|
9 |
B2 |
3360 |
3154 |
0.939 |
92 |
425 |
|
|
10 |
B2 |
1387 |
1302 |
0.939 |
92 |
426 |
|
|
11 |
B2 |
998 |
955 |
0.957 |
92 |
427 |
|
|
12 |
B2 |
435 |
438 |
1.006 |
92 |
428 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2418 |
2275 |
0.941 |
93 |
429 |
|
|
2 |
A1 |
1244 |
1227 |
0.986 |
93 |
430 |
|
|
3 |
A1 |
792 |
802 |
1.012 |
93 |
431 |
|
|
4 |
A1 |
506 |
522 |
1.032 |
93 |
432 |
|
|
5 |
E |
1278 |
1214 |
0.950 |
93 |
433 |
|
|
6 |
E |
653 |
618 |
0.947 |
93 |
434 |
|
|
7 |
E |
463 |
463 |
1.001 |
93 |
435 |
|
|
8 |
E |
203 |
196 |
0.968 |
93 |
436 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1944 |
1872 |
0.963 |
94 |
437 |
|
|
2 |
Ag |
789 |
778 |
0.986 |
94 |
438 |
|
|
3 |
Ag |
386 |
394 |
1.022 |
94 |
439 |
|
|
4 |
Au |
197 |
190 |
0.965 |
94 |
440 |
|
|
5 |
B1u |
1214 |
1186 |
0.977 |
94 |
441 |
|
|
6 |
B1u |
533 |
558 |
1.047 |
94 |
442 |
|
|
7 |
B2g |
589 |
508 |
0.863 |
94 |
443 |
|
|
8 |
B2u |
1399 |
1337 |
0.956 |
94 |
444 |
|
|
9 |
B2u |
209 |
218 |
1.044 |
94 |
445 |
|
|
10 |
B3g |
1370 |
1340 |
0.978 |
94 |
446 |
|
|
11 |
B3g |
536 |
551 |
1.027 |
94 |
447 |
|
|
12 |
B3u |
446 |
406 |
0.910 |
94 |
448 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
840 |
816 |
0.971 |
95 |
449 |
|
|
2 |
A1' |
740 |
648 |
0.876 |
95 |
450 |
|
|
3 |
A2" |
1100 |
947 |
0.861 |
95 |
451 |
|
|
4 |
A2" |
558 |
575 |
1.031 |
95 |
452 |
|
|
5 |
E' |
1111 |
1024 |
0.921 |
95 |
453 |
|
|
6 |
E' |
515 |
533 |
1.035 |
95 |
454 |
|
|
7 |
E' |
167 |
174 |
1.039 |
95 |
455 |
|
|
8 |
E" |
492 |
520 |
1.056 |
95 |
456 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3293 |
3121 |
0.948 |
96 |
457 |
|
|
2 |
A' |
3257 |
3086 |
0.948 |
96 |
458 |
|
|
3 |
A' |
3198 |
3030 |
0.947 |
96 |
459 |
|
|
4 |
A' |
1697 |
1608 |
0.948 |
96 |
460 |
|
|
5 |
A' |
1467 |
1368 |
0.933 |
96 |
461 |
|
|
6 |
A' |
1351 |
1279 |
0.947 |
96 |
462 |
|
|
7 |
A' |
1094 |
1030 |
0.941 |
96 |
463 |
|
|
8 |
A' |
709 |
720 |
1.016 |
96 |
464 |
|
|
9 |
A' |
416 |
395 |
0.949 |
96 |
465 |
|
|
10 |
A" |
1007 |
941 |
0.934 |
96 |
466 |
|
|
11 |
A" |
981 |
896 |
0.914 |
96 |
467 |
|
|
12 |
A" |
653 |
620 |
0.949 |
96 |
468 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3215 |
3035 |
0.944 |
97 |
469 |
|
|
2 |
A1 |
1695 |
1627 |
0.960 |
97 |
470 |
|
|
3 |
A1 |
1469 |
1400 |
0.953 |
97 |
471 |
|
|
4 |
A1 |
602 |
603 |
1.001 |
97 |
472 |
|
|
5 |
A1 |
304 |
299 |
0.985 |
97 |
473 |
|
|
6 |
A2 |
716 |
686 |
0.959 |
97 |
474 |
|
|
7 |
B1 |
966 |
875 |
0.906 |
97 |
475 |
|
|
8 |
B1 |
487 |
460 |
0.945 |
97 |
476 |
|
|
9 |
B2 |
3311 |
3130 |
0.945 |
97 |
477 |
|
|
10 |
B2 |
1152 |
1095 |
0.951 |
97 |
478 |
|
|
11 |
B2 |
774 |
800 |
1.034 |
97 |
479 |
|
|
12 |
B2 |
394 |
372 |
0.944 |
97 |
480 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3275 |
3077 |
0.939 |
98 |
481 |
|
|
2 |
A1 |
1681 |
1587 |
0.944 |
98 |
482 |
|
|
3 |
A1 |
1270 |
1179 |
0.929 |
98 |
483 |
|
|
4 |
A1 |
717 |
711 |
0.991 |
98 |
484 |
|
|
5 |
A1 |
174 |
173 |
0.992 |
98 |
485 |
|
|
6 |
A2 |
969 |
876 |
0.904 |
98 |
486 |
|
|
7 |
A2 |
434 |
406 |
0.936 |
98 |
487 |
|
|
8 |
B1 |
752 |
697 |
0.927 |
98 |
488 |
|
|
9 |
B2 |
3251 |
3072 |
0.945 |
98 |
489 |
|
|
10 |
B2 |
1372 |
1303 |
0.949 |
98 |
490 |
|
|
11 |
B2 |
860 |
857 |
0.996 |
98 |
491 |
|
|
12 |
B2 |
594 |
571 |
0.961 |
98 |
492 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3274 |
3073 |
0.939 |
99 |
493 |
|
|
2 |
Ag |
1679 |
1578 |
0.940 |
99 |
494 |
|
|
3 |
Ag |
1351 |
1274 |
0.943 |
99 |
495 |
|
|
4 |
Ag |
859 |
846 |
0.985 |
99 |
496 |
|
|
5 |
Ag |
363 |
350 |
0.965 |
99 |
497 |
|
|
6 |
Au |
968 |
900 |
0.929 |
99 |
498 |
|
|
7 |
Au |
221 |
227 |
1.026 |
99 |
499 |
|
|
8 |
Bg |
853 |
763 |
0.894 |
99 |
500 |
|
|
9 |
Bu |
3274 |
3090 |
0.944 |
99 |
501 |
|
|
10 |
Bu |
1280 |
1200 |
0.937 |
99 |
502 |
|
|
11 |
Bu |
826 |
828 |
1.002 |
99 |
503 |
|
|
12 |
Bu |
247 |
250 |
1.013 |
99 |
504 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3277 |
3082 |
0.941 |
100 |
505 |
|
|
2 |
A' |
1673 |
1586 |
0.948 |
100 |
506 |
|
|
3 |
A' |
1330 |
1247 |
0.937 |
100 |
507 |
|
|
4 |
A' |
931 |
931 |
1.000 |
100 |
508 |
|
|
5 |
A' |
848 |
840 |
0.991 |
100 |
509 |
|
|
6 |
A' |
642 |
630 |
0.982 |
100 |
510 |
|
|
7 |
A' |
397 |
384 |
0.967 |
100 |
511 |
|
|
8 |
A' |
283 |
277 |
0.978 |
100 |
512 |
|
|
9 |
A' |
177 |
178 |
1.003 |
100 |
513 |
|
|
10 |
A" |
870 |
780 |
0.896 |
100 |
514 |
|
|
11 |
A" |
497 |
451 |
0.907 |
100 |
515 |
|
|
12 |
A" |
211 |
215 |
1.017 |
100 |
516 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1650 |
1571 |
0.952 |
101 |
517 |
|
|
2 |
Ag |
454 |
447 |
0.986 |
101 |
518 |
|
|
3 |
Ag |
244 |
237 |
0.973 |
101 |
519 |
|
|
4 |
Au |
103 |
110 |
1.069 |
101 |
520 |
|
|
5 |
B1u |
791 |
777 |
0.982 |
101 |
521 |
|
|
6 |
B1u |
321 |
310 |
0.965 |
101 |
522 |
|
|
7 |
B2g |
590 |
512 |
0.867 |
101 |
523 |
|
|
8 |
B2u |
905 |
908 |
1.003 |
101 |
524 |
|
|
9 |
B2u |
183 |
176 |
0.960 |
101 |
525 |
|
|
10 |
B3g |
991 |
1000 |
1.009 |
101 |
526 |
|
|
11 |
B3g |
363 |
347 |
0.955 |
101 |
527 |
|
|
12 |
B3u |
305 |
288 |
0.944 |
101 |
528 |
CH3CCH |
propyne |
1 |
A1 |
3520 |
3334 |
0.947 |
102 |
529 |
|
|
2 |
A1 |
3069 |
2918 |
0.951 |
102 |
530 |
|
|
3 |
A1 |
2268 |
2124 |
0.937 |
102 |
531 |
|
|
4 |
A1 |
1473 |
1382 |
0.938 |
102 |
532 |
|
|
5 |
A1 |
943 |
931 |
0.987 |
102 |
533 |
|
|
6 |
E |
3137 |
3008 |
0.959 |
102 |
534 |
|
|
7 |
E |
1551 |
1452 |
0.936 |
102 |
535 |
|
|
8 |
E |
1106 |
1053 |
0.952 |
102 |
536 |
|
|
9 |
E |
739 |
633 |
0.857 |
102 |
537 |
|
|
10 |
E |
361 |
328 |
0.909 |
102 |
538 |
CH2CCH2 |
allene |
1 |
A1 |
3167 |
3015 |
0.952 |
103 |
539 |
|
|
2 |
A1 |
1530 |
1443 |
0.943 |
103 |
540 |
|
|
3 |
A1 |
1136 |
1073 |
0.944 |
103 |
541 |
|
|
4 |
B1 |
908 |
865 |
0.953 |
103 |
542 |
|
|
5 |
B2 |
3165 |
3007 |
0.950 |
103 |
543 |
|
|
6 |
B2 |
2101 |
1957 |
0.931 |
103 |
544 |
|
|
7 |
B2 |
1485 |
1398 |
0.941 |
103 |
545 |
|
|
8 |
E |
3241 |
3086 |
0.952 |
103 |
546 |
|
|
9 |
E |
1069 |
999 |
0.934 |
103 |
547 |
|
|
10 |
E |
917 |
841 |
0.917 |
103 |
548 |
|
|
11 |
E |
368 |
355 |
0.964 |
103 |
549 |
C3H4 |
cyclopropene |
1 |
A1 |
3381 |
3158 |
0.934 |
104 |
550 |
|
|
2 |
A1 |
3122 |
2909 |
0.932 |
104 |
551 |
|
|
3 |
A1 |
1726 |
1653 |
0.958 |
104 |
552 |
|
|
4 |
A1 |
1563 |
1483 |
0.949 |
104 |
553 |
|
|
5 |
A1 |
1139 |
1110 |
0.974 |
104 |
554 |
|
|
6 |
A1 |
939 |
905 |
0.964 |
104 |
555 |
|
|
7 |
A2 |
1048 |
996 |
0.950 |
104 |
556 |
|
|
8 |
A2 |
916 |
820 |
0.895 |
104 |
557 |
|
|
9 |
B1 |
3202 |
2995 |
0.935 |
104 |
558 |
|
|
10 |
B1 |
1124 |
1088 |
0.968 |
104 |
559 |
|
|
11 |
B1 |
672 |
569 |
0.846 |
104 |
560 |
|
|
12 |
B2 |
3328 |
3124 |
0.939 |
104 |
561 |
|
|
13 |
B2 |
1112 |
1043 |
0.938 |
104 |
562 |
|
|
14 |
B2 |
1069 |
1011 |
0.945 |
104 |
563 |
|
|
15 |
B2 |
763 |
769 |
1.008 |
104 |
564 |
CH3NH2 |
methyl amine |
1 |
A' |
3471 |
3361 |
0.968 |
105 |
565 |
|
|
2 |
A' |
3096 |
2961 |
0.956 |
105 |
566 |
|
|
3 |
A' |
2965 |
2820 |
0.951 |
105 |
567 |
|
|
4 |
A' |
1736 |
1623 |
0.935 |
105 |
568 |
|
|
5 |
A' |
1571 |
1473 |
0.938 |
105 |
569 |
|
|
6 |
A' |
1506 |
1430 |
0.949 |
105 |
570 |
|
|
7 |
A' |
1173 |
1130 |
0.963 |
105 |
571 |
|
|
8 |
A' |
1069 |
1044 |
0.977 |
105 |
572 |
|
|
9 |
A' |
690 |
780 |
1.131 |
105 |
573 |
|
|
10 |
A" |
3572 |
3427 |
0.960 |
105 |
574 |
|
|
11 |
A" |
3140 |
2985 |
0.951 |
105 |
575 |
|
|
12 |
A" |
1595 |
1485 |
0.931 |
105 |
576 |
|
|
13 |
A" |
1369 |
1335 |
0.975 |
105 |
577 |
|
|
14 |
A" |
997 |
|
|
105 |
578 |
|
|
15 |
A" |
327 |
268 |
0.820 |
105 |
579 |
C3H3N |
acrylonitrile |
1 |
A' |
3293 |
3125 |
0.949 |
106 |
580 |
|
|
2 |
A' |
3212 |
3078 |
0.958 |
106 |
581 |
|
|
3 |
A' |
3199 |
3042 |
0.951 |
106 |
582 |
|
|
4 |
A' |
2362 |
2239 |
0.948 |
106 |
583 |
|
|
5 |
A' |
1702 |
1615 |
0.949 |
106 |
584 |
|
|
6 |
A' |
1501 |
1416 |
0.944 |
106 |
585 |
|
|
7 |
A' |
1366 |
1282 |
0.938 |
106 |
586 |
|
|
8 |
A' |
1156 |
1096 |
0.948 |
106 |
587 |
|
|
9 |
A' |
900 |
869 |
0.965 |
106 |
588 |
|
|
10 |
A' |
631 |
570 |
0.903 |
106 |
589 |
|
|
11 |
A' |
269 |
242 |
0.900 |
106 |
590 |
|
|
12 |
A" |
1039 |
972 |
0.935 |
106 |
591 |
|
|
13 |
A" |
1019 |
954 |
0.937 |
106 |
592 |
|
|
14 |
A" |
776 |
683 |
0.880 |
106 |
593 |
|
|
15 |
A" |
406 |
362 |
0.892 |
106 |
594 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3081 |
2935 |
0.953 |
107 |
595 |
|
|
2 |
A1 |
2395 |
2275 |
0.950 |
107 |
596 |
|
|
3 |
A1 |
1501 |
1395 |
0.930 |
107 |
597 |
|
|
4 |
A1 |
927 |
890 |
0.960 |
107 |
598 |
|
|
5 |
A1 |
638 |
582 |
0.912 |
107 |
599 |
|
|
6 |
A1 |
174 |
167 |
0.960 |
107 |
600 |
|
|
7 |
A2 |
1335 |
1220 |
0.914 |
107 |
601 |
|
|
8 |
A2 |
466 |
367 |
0.788 |
107 |
602 |
|
|
9 |
B1 |
3122 |
2968 |
0.951 |
107 |
603 |
|
|
10 |
B1 |
982 |
933 |
0.950 |
107 |
604 |
|
|
11 |
B1 |
423 |
337 |
0.797 |
107 |
605 |
|
|
12 |
B2 |
2390 |
2275 |
0.952 |
107 |
606 |
|
|
13 |
B2 |
1398 |
1318 |
0.943 |
107 |
607 |
|
|
14 |
B2 |
1011 |
982 |
0.972 |
107 |
608 |
|
|
15 |
B2 |
461 |
366 |
0.794 |
107 |
609 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3642 |
3447 |
0.946 |
108 |
610 |
|
|
2 |
A' |
3354 |
3102 |
0.925 |
108 |
611 |
|
|
3 |
A' |
1456 |
1441 |
0.989 |
108 |
612 |
|
|
4 |
A' |
1387 |
1384 |
0.998 |
108 |
613 |
|
|
5 |
A' |
1232 |
1259 |
1.022 |
108 |
614 |
|
|
6 |
A' |
1164 |
1159 |
0.996 |
108 |
615 |
|
|
7 |
A' |
1103 |
1084 |
0.983 |
108 |
616 |
|
|
8 |
A' |
1025 |
1015 |
0.990 |
108 |
617 |
|
|
9 |
A' |
998 |
1002 |
1.004 |
108 |
618 |
|
|
10 |
A' |
897 |
969 |
1.080 |
108 |
619 |
|
|
11 |
A' |
814 |
925 |
1.137 |
108 |
620 |
|
|
12 |
A" |
932 |
906 |
0.972 |
108 |
621 |
|
|
13 |
A" |
700 |
663 |
0.948 |
108 |
622 |
|
|
14 |
A" |
695 |
658 |
0.947 |
108 |
623 |
|
|
15 |
A" |
656 |
578 |
0.882 |
108 |
624 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3191 |
3014 |
0.945 |
109 |
625 |
|
|
2 |
A' |
3068 |
2923 |
0.953 |
109 |
626 |
|
|
3 |
A' |
2935 |
2716 |
0.926 |
109 |
627 |
|
|
4 |
A' |
1780 |
1743 |
0.979 |
109 |
628 |
|
|
5 |
A' |
1520 |
1433 |
0.943 |
109 |
629 |
|
|
6 |
A' |
1462 |
1395 |
0.954 |
109 |
630 |
|
|
7 |
A' |
1432 |
1352 |
0.944 |
109 |
631 |
|
|
8 |
A' |
1144 |
1114 |
0.974 |
109 |
632 |
|
|
9 |
A' |
897 |
867 |
0.967 |
109 |
633 |
|
|
10 |
A' |
497 |
509 |
1.024 |
109 |
634 |
|
|
11 |
A" |
3130 |
2964 |
0.947 |
109 |
635 |
|
|
12 |
A" |
1540 |
1431 |
0.929 |
109 |
636 |
|
|
13 |
A" |
1169 |
1102 |
0.942 |
109 |
637 |
|
|
14 |
A" |
822 |
764 |
0.929 |
109 |
638 |
|
|
15 |
A" |
166 |
150 |
0.903 |
109 |
639 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3162 |
3006 |
0.951 |
110 |
640 |
|
|
2 |
A1 |
1574 |
1467 |
0.932 |
110 |
641 |
|
|
3 |
A1 |
1245 |
1267 |
1.017 |
110 |
642 |
|
|
4 |
A1 |
1141 |
1146 |
1.004 |
110 |
643 |
|
|
5 |
A1 |
855 |
857 |
1.003 |
110 |
644 |
|
|
6 |
A2 |
3241 |
3063 |
0.945 |
110 |
645 |
|
|
7 |
A2 |
1201 |
1050 |
0.874 |
110 |
646 |
|
|
8 |
A2 |
1002 |
1020 |
1.018 |
110 |
647 |
|
|
9 |
B1 |
3260 |
3065 |
0.940 |
110 |
648 |
|
|
10 |
B1 |
1123 |
1146 |
1.021 |
110 |
649 |
|
|
11 |
B1 |
848 |
797 |
0.939 |
110 |
650 |
|
|
12 |
B2 |
3151 |
3006 |
0.954 |
110 |
651 |
|
|
13 |
B2 |
1551 |
1459 |
0.941 |
110 |
652 |
|
|
14 |
B2 |
1136 |
1159 |
1.020 |
110 |
653 |
|
|
15 |
B2 |
816 |
824 |
1.010 |
110 |
654 |
CH3ONO |
Methyl nitrite |
1 |
A' |
3215 |
3037 |
0.944 |
111 |
655 |
|
|
2 |
A' |
3090 |
2950 |
0.955 |
111 |
656 |
|
|
3 |
A' |
1558 |
1613 |
1.035 |
111 |
657 |
|
|
4 |
A' |
1486 |
1454 |
0.979 |
111 |
658 |
|
|
5 |
A' |
1411 |
1408 |
0.998 |
111 |
659 |
|
|
6 |
A' |
1160 |
1239 |
1.068 |
111 |
660 |
|
|
7 |
A' |
988 |
991 |
1.003 |
111 |
661 |
|
|
8 |
A' |
847 |
838 |
0.990 |
111 |
662 |
|
|
9 |
A' |
687 |
627 |
0.913 |
111 |
663 |
|
|
10 |
A' |
353 |
346 |
0.980 |
111 |
664 |
|
|
11 |
A" |
3163 |
2991 |
0.945 |
111 |
665 |
|
|
12 |
A" |
1544 |
1438 |
0.932 |
111 |
666 |
|
|
13 |
A" |
1155 |
1143 |
0.990 |
111 |
667 |
|
|
14 |
A" |
356 |
|
|
111 |
668 |
|
|
15 |
A" |
193 |
186 |
0.962 |
111 |
669 |
C2H4S |
Thiirane |
1 |
A1 |
3181 |
3014 |
0.947 |
112 |
670 |
|
|
2 |
A1 |
1533 |
1457 |
0.950 |
112 |
671 |
|
|
5 |
A1 |
632 |
627 |
0.992 |
112 |
672 |
|
|
11 |
B1 |
874 |
824 |
0.943 |
112 |
673 |
|
|
12 |
B2 |
3178 |
3013 |
0.948 |
112 |
674 |
|
|
14 |
B2 |
1132 |
1051 |
0.928 |
112 |
675 |
H2SO4 |
Sulfuric acid |
1 |
A |
3560 |
3563 |
1.001 |
113 |
676 |
|
|
2 |
A |
1243 |
1216 |
0.978 |
113 |
677 |
|
|
3 |
A |
1109 |
1136 |
1.025 |
113 |
678 |
|
|
4 |
A |
845 |
831 |
0.984 |
113 |
679 |
|
|
5 |
A |
528 |
548 |
1.038 |
113 |
680 |
|
|
6 |
A |
418 |
422 |
1.008 |
113 |
681 |
|
|
7 |
A |
357 |
379 |
1.061 |
113 |
682 |
|
|
8 |
A |
189 |
224 |
1.188 |
113 |
683 |
|
|
9 |
B |
3556 |
3567 |
1.003 |
113 |
684 |
|
|
10 |
B |
1498 |
1452 |
0.970 |
113 |
685 |
|
|
11 |
B |
1142 |
1157 |
1.013 |
113 |
686 |
|
|
12 |
B |
922 |
882 |
0.957 |
113 |
687 |
|
|
13 |
B |
532 |
558 |
1.048 |
113 |
688 |
|
|
14 |
B |
480 |
506 |
1.054 |
113 |
689 |
|
|
15 |
B |
244 |
288 |
1.181 |
113 |
690 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3223 |
3043 |
0.944 |
114 |
691 |
|
|
2 |
A' |
3100 |
2955 |
0.953 |
114 |
692 |
|
|
3 |
A' |
1901 |
1870 |
0.984 |
114 |
693 |
|
|
4 |
A' |
1529 |
1440 |
0.942 |
114 |
694 |
|
|
5 |
A' |
1456 |
1378 |
0.946 |
114 |
695 |
|
|
6 |
A' |
1254 |
1188 |
0.948 |
114 |
696 |
|
|
7 |
A' |
1038 |
1000 |
0.964 |
114 |
697 |
|
|
8 |
A' |
857 |
826 |
0.964 |
114 |
698 |
|
|
9 |
A' |
594 |
598 |
1.007 |
114 |
699 |
|
|
10 |
A' |
393 |
420 |
1.070 |
114 |
700 |
|
|
11 |
A" |
3164 |
3004 |
0.950 |
114 |
701 |
|
|
12 |
A" |
1540 |
1437 |
0.933 |
114 |
702 |
|
|
13 |
A" |
1114 |
1054 |
0.946 |
114 |
703 |
|
|
14 |
A" |
582 |
567 |
0.973 |
114 |
704 |
|
|
15 |
A" |
141 |
123 |
0.872 |
114 |
705 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
801 |
774 |
0.965 |
115 |
706 |
|
|
2 |
Eg |
731 |
642 |
0.878 |
115 |
707 |
|
|
3 |
T1u |
1089 |
948 |
0.870 |
115 |
708 |
|
|
4 |
T1u |
586 |
616 |
1.051 |
115 |
709 |
|
|
5 |
T2g |
498 |
525 |
1.055 |
115 |
710 |
|
|
6 |
T2u |
331 |
347 |
1.048 |
115 |
711 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3197 |
3027 |
0.947 |
116 |
712 |
|
|
2 |
A' |
3095 |
2948 |
0.953 |
116 |
713 |
|
|
3 |
A' |
1863 |
1818 |
0.976 |
116 |
714 |
|
|
4 |
A' |
1519 |
1415 |
0.932 |
116 |
715 |
|
|
5 |
A' |
1450 |
1368 |
0.944 |
116 |
716 |
|
|
6 |
A' |
1134 |
1108 |
0.977 |
116 |
717 |
|
|
7 |
A' |
955 |
956 |
1.001 |
116 |
718 |
|
|
8 |
A' |
572 |
604 |
1.057 |
116 |
719 |
|
|
9 |
A' |
418 |
445 |
1.065 |
116 |
720 |
|
|
10 |
A' |
355 |
348 |
0.980 |
116 |
721 |
|
|
11 |
A" |
3170 |
2990 |
0.943 |
116 |
722 |
|
|
12 |
A" |
1533 |
1431 |
0.934 |
116 |
723 |
|
|
13 |
A" |
1096 |
1032 |
0.942 |
116 |
724 |
|
|
14 |
A" |
540 |
518 |
0.960 |
116 |
725 |
|
|
15 |
A" |
158 |
166 |
1.052 |
116 |
726 |
C2H6 |
Ethane |
1 |
A1g |
3073 |
2954 |
0.961 |
117 |
727 |
|
|
2 |
A1g |
1464 |
1388 |
0.948 |
117 |
728 |
|
|
3 |
A1g |
999 |
995 |
0.996 |
117 |
729 |
|
|
4 |
A1u |
309 |
289 |
0.935 |
117 |
730 |
|
|
5 |
A2u |
3074 |
2896 |
0.942 |
117 |
731 |
|
|
6 |
A2u |
1471 |
1379 |
0.937 |
117 |
732 |
|
|
7 |
Eg |
3130 |
2969 |
0.949 |
117 |
733 |
|
|
8 |
Eg |
1575 |
1468 |
0.932 |
117 |
734 |
|
|
9 |
Eg |
1260 |
1190 |
0.944 |
117 |
735 |
|
|
10 |
Eu |
3158 |
2985 |
0.945 |
117 |
736 |
|
|
11 |
Eu |
1575 |
1469 |
0.933 |
117 |
737 |
|
|
12 |
Eu |
867 |
822 |
0.948 |
117 |
738 |
C3H5 |
Allyl radical |
1 |
A1 |
3286 |
3114 |
0.948 |
118 |
739 |
|
|
2 |
A1 |
3188 |
3048 |
0.956 |
118 |
740 |
|
|
4 |
A1 |
1561 |
1488 |
0.953 |
118 |
741 |
|
|
5 |
A1 |
1306 |
1245 |
0.953 |
118 |
742 |
|
|
6 |
A1 |
1064 |
1066 |
1.002 |
118 |
743 |
|
|
7 |
A1 |
446 |
427 |
0.957 |
118 |
744 |
|
|
9 |
A2 |
560 |
549 |
0.981 |
118 |
745 |
|
|
10 |
B1 |
1030 |
968 |
0.940 |
118 |
746 |
|
|
11 |
B1 |
835 |
802 |
0.961 |
118 |
747 |
|
|
12 |
B1 |
540 |
518 |
0.958 |
118 |
748 |
|
|
13 |
B2 |
3282 |
3105 |
0.946 |
118 |
749 |
|
|
14 |
B2 |
3182 |
3016 |
0.948 |
118 |
750 |
|
|
15 |
B2 |
1539 |
1463 |
0.951 |
118 |
751 |
|
|
16 |
B2 |
1472 |
1389 |
0.943 |
118 |
752 |
|
|
17 |
B2 |
1238 |
1182 |
0.955 |
118 |
753 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3062 |
2898 |
0.946 |
119 |
754 |
|
|
2 |
A1 |
2268 |
2166 |
0.955 |
119 |
755 |
|
|
3 |
A1 |
1369 |
1260 |
0.921 |
119 |
756 |
|
|
4 |
A1 |
953 |
940 |
0.986 |
119 |
757 |
|
|
5 |
A1 |
715 |
700 |
0.979 |
119 |
758 |
|
|
6 |
A2 |
196 |
187 |
0.954 |
119 |
759 |
|
|
7 |
E |
3145 |
2982 |
0.948 |
119 |
760 |
|
|
8 |
E |
2271 |
2169 |
0.955 |
119 |
761 |
|
|
9 |
E |
1533 |
1403 |
0.915 |
119 |
762 |
|
|
10 |
E |
967 |
980 |
1.014 |
119 |
763 |
|
|
11 |
E |
928 |
868 |
0.936 |
119 |
764 |
|
|
12 |
E |
535 |
540 |
1.009 |
119 |
765 |
Si2H6 |
disilane |
1 |
A1g |
2270 |
2152 |
0.948 |
120 |
766 |
|
|
2 |
A1g |
927 |
909 |
0.981 |
120 |
767 |
|
|
3 |
A1g |
450 |
434 |
0.964 |
120 |
768 |
|
|
4 |
A1u |
146 |
131 |
0.899 |
120 |
769 |
|
|
5 |
A2u |
2261 |
2154 |
0.953 |
120 |
770 |
|
|
6 |
A2u |
855 |
844 |
0.986 |
120 |
771 |
|
|
7 |
Eg |
2274 |
2155 |
0.948 |
120 |
772 |
|
|
8 |
Eg |
946 |
929 |
0.982 |
120 |
773 |
|
|
9 |
Eg |
646 |
625 |
0.968 |
120 |
774 |
|
|
10 |
Eu |
2283 |
2179 |
0.954 |
120 |
775 |
|
|
11 |
Eu |
958 |
940 |
0.981 |
120 |
776 |
|
|
12 |
Eu |
390 |
379 |
0.972 |
120 |
777 |
C2H5N |
Aziridine |
1 |
A' |
3396 |
3338 |
0.983 |
121 |
778 |
|
|
2 |
A' |
3275 |
3079 |
0.940 |
121 |
779 |
|
|
3 |
A' |
3174 |
3015 |
0.950 |
121 |
780 |
|
|
4 |
A' |
1557 |
1482 |
0.952 |
121 |
781 |
|
|
5 |
A' |
1312 |
1237 |
0.943 |
121 |
782 |
|
|
6 |
A' |
1188 |
1211 |
1.019 |
121 |
783 |
|
|
7 |
A' |
1110 |
1090 |
0.982 |
121 |
784 |
|
|
8 |
A' |
1004 |
998 |
0.994 |
121 |
785 |
|
|
9 |
A' |
856 |
856 |
1.000 |
121 |
786 |
|
|
10 |
A' |
730 |
773 |
1.060 |
121 |
787 |
|
|
11 |
A" |
3259 |
3079 |
0.945 |
121 |
788 |
|
|
12 |
A" |
3166 |
3015 |
0.952 |
121 |
789 |
|
|
13 |
A" |
1539 |
1463 |
0.951 |
121 |
790 |
|
|
14 |
A" |
1289 |
1268 |
0.984 |
121 |
791 |
|
|
15 |
A" |
1177 |
1131 |
0.961 |
121 |
792 |
|
|
16 |
A" |
1123 |
1095 |
0.975 |
121 |
793 |
|
|
17 |
A" |
909 |
904 |
0.994 |
121 |
794 |
|
|
18 |
A" |
823 |
817 |
0.993 |
121 |
795 |
CH3COOH |
Acetic acid |
1 |
A' |
3556 |
3583 |
1.008 |
122 |
796 |
|
|
2 |
A' |
3219 |
3051 |
0.948 |
122 |
797 |
|
|
3 |
A' |
3102 |
2944 |
0.949 |
122 |
798 |
|
|
4 |
A' |
1827 |
1788 |
0.979 |
122 |
799 |
|
|
5 |
A' |
1531 |
1430 |
0.934 |
122 |
800 |
|
|
6 |
A' |
1450 |
1382 |
0.953 |
122 |
801 |
|
|
7 |
A' |
1393 |
1264 |
0.908 |
122 |
802 |
|
|
8 |
A' |
1190 |
1182 |
0.993 |
122 |
803 |
|
|
9 |
A' |
1012 |
989 |
0.977 |
122 |
804 |
|
|
10 |
A' |
859 |
847 |
0.986 |
122 |
805 |
|
|
11 |
A' |
571 |
657 |
1.150 |
122 |
806 |
|
|
12 |
A' |
409 |
|
|
122 |
807 |
|
|
13 |
A" |
3167 |
2996 |
0.946 |
122 |
808 |
|
|
14 |
A" |
1543 |
1430 |
0.927 |
122 |
809 |
|
|
15 |
A" |
1110 |
1048 |
0.944 |
122 |
810 |
|
|
16 |
A" |
682 |
642 |
0.942 |
122 |
811 |
|
|
17 |
A" |
560 |
534 |
0.954 |
122 |
812 |
|
|
18 |
A" |
94 |
93 |
0.995 |
122 |
813 |
CH3OCHO |
methyl formate |
1 |
A' |
3220 |
3045 |
0.946 |
123 |
814 |
|
|
2 |
A' |
3111 |
2969 |
0.954 |
123 |
815 |
|
|
3 |
A' |
3096 |
2943 |
0.951 |
123 |
816 |
|
|
4 |
A' |
1769 |
1754 |
0.991 |
123 |
817 |
|
|
5 |
A' |
1565 |
1454 |
0.929 |
123 |
818 |
|
|
6 |
A' |
1494 |
1445 |
0.967 |
123 |
819 |
|
|
7 |
A' |
1409 |
1371 |
0.973 |
123 |
820 |
|
|
8 |
A' |
1209 |
1207 |
0.998 |
123 |
821 |
|
|
9 |
A' |
1174 |
1166 |
0.993 |
123 |
822 |
|
|
10 |
A' |
924 |
925 |
1.001 |
123 |
823 |
|
|
11 |
A' |
767 |
767 |
1.000 |
123 |
824 |
|
|
12 |
A' |
288 |
318 |
1.103 |
123 |
825 |
|
|
13 |
A" |
3172 |
3012 |
0.950 |
123 |
826 |
|
|
14 |
A" |
1552 |
1443 |
0.930 |
123 |
827 |
|
|
15 |
A" |
1173 |
1168 |
0.996 |
123 |
828 |
|
|
16 |
A" |
1059 |
1032 |
0.974 |
123 |
829 |
|
|
17 |
A" |
343 |
332 |
0.967 |
123 |
830 |
|
|
18 |
A" |
80 |
130 |
1.625 |
123 |
831 |
C3H3NO |
Isoxazole |
1 |
A' |
3355 |
3160 |
0.942 |
124 |
832 |
|
|
2 |
A' |
3326 |
3128 |
0.941 |
124 |
833 |
|
|
3 |
A' |
3304 |
3086 |
0.934 |
124 |
834 |
|
|
4 |
A' |
1581 |
1561 |
0.987 |
124 |
835 |
|
|
5 |
A' |
1428 |
1433 |
1.003 |
124 |
836 |
|
|
6 |
A' |
1388 |
1371 |
0.988 |
124 |
837 |
|
|
7 |
A' |
1240 |
1218 |
0.982 |
124 |
838 |
|
|
8 |
A' |
1161 |
1130 |
0.973 |
124 |
839 |
|
|
9 |
A' |
1093 |
1096 |
1.003 |
124 |
840 |
|
|
10 |
A' |
1047 |
1024 |
0.978 |
124 |
841 |
|
|
11 |
A' |
952 |
920 |
0.966 |
124 |
842 |
|
|
12 |
A' |
914 |
900 |
0.985 |
124 |
843 |
|
|
13 |
A' |
835 |
857 |
1.027 |
124 |
844 |
|
|
14 |
A" |
966 |
890 |
0.921 |
124 |
845 |
|
|
15 |
A" |
921 |
866 |
0.940 |
124 |
846 |
|
|
16 |
A" |
818 |
765 |
0.935 |
124 |
847 |
|
|
17 |
A" |
646 |
631 |
0.976 |
124 |
848 |
|
|
18 |
A" |
594 |
592 |
0.995 |
124 |
849 |
C3H3NO |
Oxazole |
1 |
A' |
3379 |
3170 |
0.938 |
125 |
850 |
|
|
2 |
A' |
3360 |
3144 |
0.936 |
125 |
851 |
|
|
3 |
A' |
3343 |
3141 |
0.940 |
125 |
852 |
|
|
4 |
A' |
1549 |
1537 |
0.992 |
125 |
853 |
|
|
5 |
A' |
1499 |
1504 |
1.003 |
125 |
854 |
|
|
6 |
A' |
1347 |
1324 |
0.983 |
125 |
855 |
|
|
7 |
A' |
1277 |
1252 |
0.981 |
125 |
856 |
|
|
8 |
A' |
1167 |
1139 |
0.976 |
125 |
857 |
|
|
9 |
A' |
1077 |
1086 |
1.008 |
125 |
858 |
|
|
10 |
A' |
1051 |
1078 |
1.026 |
125 |
859 |
|
|
11 |
A' |
1033 |
1046 |
1.012 |
125 |
860 |
|
|
12 |
A' |
918 |
899 |
0.979 |
125 |
861 |
|
|
13 |
A' |
908 |
854 |
0.940 |
125 |
862 |
|
|
14 |
A" |
945 |
907 |
0.960 |
125 |
863 |
|
|
15 |
A" |
877 |
830 |
0.946 |
125 |
864 |
|
|
16 |
A" |
814 |
750 |
0.921 |
125 |
865 |
|
|
17 |
A" |
672 |
647 |
0.963 |
125 |
866 |
|
|
18 |
A" |
632 |
607 |
0.961 |
125 |
867 |
CH3NO3 |
Methyl nitrate |
1 |
A' |
3204 |
3008 |
0.939 |
126 |
868 |
|
|
2 |
A' |
3102 |
2941 |
0.948 |
126 |
869 |
|
|
3 |
A' |
1567 |
1678 |
1.071 |
126 |
870 |
|
|
4 |
A' |
1494 |
1468 |
0.983 |
126 |
871 |
|
|
5 |
A' |
1476 |
1430 |
0.969 |
126 |
872 |
|
|
6 |
A' |
1165 |
1287 |
1.105 |
126 |
873 |
|
|
7 |
A' |
1156 |
1176 |
1.017 |
126 |
874 |
|
|
8 |
A' |
997 |
1017 |
1.020 |
126 |
875 |
|
|
9 |
A' |
836 |
854 |
1.021 |
126 |
876 |
|
|
10 |
A' |
635 |
657 |
1.034 |
126 |
877 |
|
|
11 |
A' |
538 |
578 |
1.075 |
126 |
878 |
|
|
12 |
A' |
337 |
340 |
1.009 |
126 |
879 |
|
|
13 |
A" |
3193 |
3008 |
0.942 |
126 |
880 |
|
|
14 |
A" |
1541 |
1455 |
0.944 |
126 |
881 |
|
|
15 |
A" |
1163 |
1136 |
0.977 |
126 |
882 |
|
|
16 |
A" |
688 |
758 |
1.102 |
126 |
883 |
|
|
17 |
A" |
215 |
|
|
126 |
884 |
|
|
18 |
A" |
146 |
|
|
126 |
885 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
1 |
A' |
3194 |
3015 |
0.944 |
127 |
886 |
|
|
2 |
A' |
3114 |
2975 |
0.955 |
127 |
887 |
|
|
3 |
A' |
3109 |
2964 |
0.953 |
127 |
888 |
|
|
4 |
A' |
1553 |
1457 |
0.938 |
127 |
889 |
|
|
5 |
A' |
1480 |
1413 |
0.955 |
127 |
890 |
|
|
6 |
A' |
1450 |
1357 |
0.936 |
127 |
891 |
|
|
7 |
A' |
1194 |
1171 |
0.981 |
127 |
892 |
|
|
8 |
A' |
1152 |
1140 |
0.989 |
127 |
893 |
|
|
9 |
A' |
895 |
868 |
0.970 |
127 |
894 |
|
|
10 |
A' |
548 |
569 |
1.038 |
127 |
895 |
|
|
11 |
A' |
441 |
468 |
1.060 |
127 |
896 |
|
|
12 |
A" |
3196 |
|
|
127 |
897 |
|
|
13 |
A" |
1560 |
|
|
127 |
898 |
|
|
14 |
A" |
1445 |
1362 |
0.943 |
127 |
899 |
|
|
15 |
A" |
1221 |
1135 |
0.930 |
127 |
900 |
|
|
16 |
A" |
1009 |
942 |
0.934 |
127 |
901 |
|
|
17 |
A" |
355 |
|
|
127 |
902 |
|
|
18 |
A" |
262 |
|
|
127 |
903 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3130 |
2974 |
0.950 |
128 |
904 |
|
|
2 |
A1 |
1496 |
1412 |
0.944 |
128 |
905 |
|
|
3 |
A1 |
1315 |
1278 |
0.972 |
128 |
906 |
|
|
4 |
A1 |
828 |
828 |
1.000 |
128 |
907 |
|
|
5 |
A1 |
571 |
606 |
1.062 |
128 |
908 |
|
|
6 |
A2 |
264 |
225 |
0.852 |
128 |
909 |
|
|
7 |
E |
3215 |
3042 |
0.946 |
128 |
910 |
|
|
8 |
E |
1555 |
1450 |
0.932 |
128 |
911 |
|
|
9 |
E |
1331 |
1230 |
0.924 |
128 |
912 |
|
|
10 |
E |
1034 |
964 |
0.932 |
128 |
913 |
|
|
11 |
E |
519 |
540 |
1.041 |
128 |
914 |
|
|
12 |
E |
342 |
365 |
1.067 |
128 |
915 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1394 |
1420 |
1.019 |
129 |
916 |
|
|
2 |
A1g |
781 |
809 |
1.036 |
129 |
917 |
|
|
3 |
A1g |
346 |
349 |
1.009 |
129 |
918 |
|
|
4 |
A1u |
61 |
68 |
1.121 |
129 |
919 |
|
|
5 |
A2u |
1142 |
1117 |
0.978 |
129 |
920 |
|
|
6 |
A2u |
668 |
714 |
1.069 |
129 |
921 |
|
|
7 |
Eg |
1290 |
1237 |
0.959 |
129 |
922 |
|
|
8 |
Eg |
603 |
620 |
1.028 |
129 |
923 |
|
|
9 |
Eg |
360 |
380 |
1.055 |
129 |
924 |
|
|
10 |
Eu |
1330 |
1251 |
0.941 |
129 |
925 |
|
|
11 |
Eu |
496 |
523 |
1.053 |
129 |
926 |
|
|
12 |
Eu |
204 |
216 |
1.056 |
129 |
927 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3157 |
2967 |
0.940 |
130 |
928 |
|
|
2 |
A' |
3130 |
2946 |
0.941 |
130 |
929 |
|
|
3 |
A' |
3081 |
2881 |
0.935 |
130 |
930 |
|
|
4 |
A' |
1568 |
1463 |
0.933 |
130 |
931 |
|
|
5 |
A' |
1546 |
1448 |
0.937 |
130 |
932 |
|
|
6 |
A' |
1471 |
1385 |
0.941 |
130 |
933 |
|
|
7 |
A' |
1356 |
1289 |
0.951 |
130 |
934 |
|
|
8 |
A' |
1114 |
1081 |
0.971 |
130 |
935 |
|
|
9 |
A' |
999 |
974 |
0.975 |
130 |
936 |
|
|
10 |
A' |
658 |
677 |
1.028 |
130 |
937 |
|
|
11 |
A' |
344 |
336 |
0.977 |
130 |
938 |
|
|
12 |
A" |
3199 |
3014 |
0.942 |
130 |
939 |
|
|
13 |
A" |
3167 |
2986 |
0.943 |
130 |
940 |
|
|
14 |
A" |
1554 |
1448 |
0.932 |
130 |
941 |
|
|
15 |
A" |
1323 |
1251 |
0.946 |
130 |
942 |
|
|
16 |
A" |
1114 |
974 |
0.874 |
130 |
943 |
|
|
17 |
A" |
822 |
786 |
0.957 |
130 |
944 |
|
|
18 |
A" |
261 |
251 |
0.960 |
130 |
945 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3142 |
2957 |
0.941 |
131 |
946 |
|
|
1 |
A |
3186 |
3005 |
0.943 |
131 |
947 |
|
|
2 |
A |
3128 |
2957 |
0.945 |
131 |
948 |
|
|
2 |
Ag |
1541 |
1445 |
0.938 |
131 |
949 |
|
|
3 |
Ag |
1372 |
1304 |
0.950 |
131 |
950 |
|
|
3 |
A |
1522 |
1433 |
0.942 |
131 |
951 |
|
|
4 |
A |
1379 |
1315 |
0.954 |
131 |
952 |
|
|
4 |
Ag |
1054 |
1052 |
0.998 |
131 |
953 |
|
|
5 |
Ag |
759 |
754 |
0.993 |
131 |
954 |
|
|
5 |
A |
1272 |
1207 |
0.949 |
131 |
955 |
|
|
6 |
A |
1048 |
1027 |
0.980 |
131 |
956 |
|
|
6 |
Ag |
306 |
300 |
0.982 |
131 |
957 |
|
|
7 |
Au |
3227 |
3005 |
0.931 |
131 |
958 |
|
|
7 |
A |
971 |
948 |
0.976 |
131 |
959 |
|
|
8 |
A |
661 |
669 |
1.012 |
131 |
960 |
|
|
8 |
Au |
1200 |
1123 |
0.936 |
131 |
961 |
|
|
9 |
Au |
807 |
773 |
0.958 |
131 |
962 |
|
|
9 |
A |
269 |
272 |
1.012 |
131 |
963 |
|
|
10 |
A |
115 |
125 |
1.086 |
131 |
964 |
|
|
10 |
Au |
120 |
123 |
1.028 |
131 |
965 |
|
|
11 |
Bg |
3202 |
3005 |
0.939 |
131 |
966 |
|
|
11 |
B |
3201 |
3005 |
0.939 |
131 |
967 |
|
|
12 |
B |
3120 |
2957 |
0.948 |
131 |
968 |
|
|
12 |
Bg |
1351 |
1264 |
0.936 |
131 |
969 |
|
|
13 |
Bg |
1028 |
989 |
0.962 |
131 |
970 |
|
|
13 |
B |
1528 |
1436 |
0.940 |
131 |
971 |
|
|
14 |
B |
1368 |
1292 |
0.945 |
131 |
972 |
|
|
14 |
Bu |
3151 |
2983 |
0.947 |
131 |
973 |
|
|
15 |
Bu |
1544 |
1461 |
0.946 |
131 |
974 |
|
|
15 |
B |
1219 |
1146 |
0.940 |
131 |
975 |
|
|
16 |
B |
918 |
890 |
0.970 |
131 |
976 |
|
|
16 |
Bu |
1310 |
1232 |
0.940 |
131 |
977 |
|
|
17 |
Bu |
716 |
728 |
1.016 |
131 |
978 |
|
|
17 |
B |
683 |
693 |
1.015 |
131 |
979 |
|
|
18 |
B |
426 |
410 |
0.963 |
131 |
980 |
|
|
18 |
Bu |
223 |
222 |
0.997 |
131 |
981 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3100 |
2951 |
0.952 |
132 |
982 |
|
|
2 |
A1 |
1478 |
1386 |
0.938 |
132 |
983 |
|
|
3 |
A1 |
1070 |
1075 |
1.005 |
132 |
984 |
|
|
4 |
A1 |
523 |
526 |
1.006 |
132 |
985 |
|
|
5 |
A1 |
349 |
344 |
0.986 |
132 |
986 |
|
|
6 |
A2 |
315 |
214 |
0.680 |
132 |
987 |
|
|
7 |
E |
3191 |
3014 |
0.944 |
132 |
988 |
|
|
8 |
E |
1543 |
1457 |
0.944 |
132 |
989 |
|
|
9 |
E |
1153 |
1088 |
0.944 |
132 |
990 |
|
|
10 |
E |
689 |
724 |
1.050 |
132 |
991 |
|
|
11 |
E |
352 |
351 |
0.996 |
132 |
992 |
|
|
12 |
E |
245 |
239 |
0.975 |
132 |
993 |
C3H6 |
Cyclopropane |
1 |
A1' |
3198 |
3038 |
0.950 |
133 |
994 |
|
|
2 |
A1' |
1547 |
1479 |
0.956 |
133 |
995 |
|
|
3 |
A1' |
1186 |
1188 |
1.002 |
133 |
996 |
|
|
4 |
A1" |
1173 |
1126 |
0.960 |
133 |
997 |
|
|
5 |
A2' |
1142 |
1070 |
0.937 |
133 |
998 |
|
|
6 |
A2" |
3296 |
3103 |
0.941 |
133 |
999 |
|
|
7 |
A2" |
869 |
854 |
0.982 |
133 |
1000 |
|
|
8 |
E' |
3189 |
3025 |
0.949 |
133 |
1001 |
|
|
9 |
E' |
1518 |
1438 |
0.948 |
133 |
1002 |
|
|
10 |
E' |
1093 |
1029 |
0.941 |
133 |
1003 |
|
|
11 |
E' |
880 |
866 |
0.984 |
133 |
1004 |
|
|
12 |
E" |
3272 |
3082 |
0.942 |
133 |
1005 |
|
|
13 |
E" |
1235 |
1188 |
0.962 |
133 |
1006 |
|
|
14 |
E" |
771 |
739 |
0.958 |
133 |
1007 |
CH2CHCH3 |
Propene |
1 |
A' |
3259 |
3090 |
0.948 |
134 |
1008 |
|
|
2 |
A' |
3180 |
3013 |
0.948 |
134 |
1009 |
|
|
3 |
A' |
3171 |
2991 |
0.943 |
134 |
1010 |
|
|
4 |
A' |
3144 |
2954 |
0.939 |
134 |
1011 |
|
|
5 |
A' |
3058 |
2871 |
0.939 |
134 |
1012 |
|
|
6 |
A' |
1740 |
1650 |
0.948 |
134 |
1013 |
|
|
7 |
A' |
1561 |
1470 |
0.942 |
134 |
1014 |
|
|
8 |
A' |
1503 |
1420 |
0.945 |
134 |
1015 |
|
|
9 |
A' |
1465 |
1378 |
0.941 |
134 |
1016 |
|
|
10 |
A' |
1373 |
1297 |
0.945 |
134 |
1017 |
|
|
11 |
A' |
1229 |
1171 |
0.953 |
134 |
1018 |
|
|
12 |
A' |
994 |
963 |
0.969 |
134 |
1019 |
|
|
13 |
A' |
933 |
920 |
0.986 |
134 |
1020 |
|
|
14 |
A' |
442 |
428 |
0.969 |
134 |
1021 |
|
|
15 |
A" |
3112 |
2954 |
0.949 |
134 |
1022 |
|
|
16 |
A" |
1550 |
1443 |
0.931 |
134 |
1023 |
|
|
17 |
A" |
1113 |
1045 |
0.939 |
134 |
1024 |
|
|
18 |
A" |
1053 |
991 |
0.941 |
134 |
1025 |
|
|
19 |
A" |
977 |
912 |
0.933 |
134 |
1026 |
|
|
20 |
A" |
602 |
578 |
0.960 |
134 |
1027 |
|
|
21 |
A" |
200 |
174 |
0.871 |
134 |
1028 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3670 |
3523 |
0.960 |
135 |
1029 |
|
|
2 |
A' |
3344 |
3155 |
0.944 |
135 |
1030 |
|
|
3 |
A' |
3318 |
3137 |
0.946 |
135 |
1031 |
|
|
4 |
A' |
3312 |
3126 |
0.944 |
135 |
1032 |
|
|
5 |
A' |
1556 |
1531 |
0.984 |
135 |
1033 |
|
|
6 |
A' |
1460 |
1447 |
0.991 |
135 |
1034 |
|
|
7 |
A' |
1415 |
1395 |
0.986 |
135 |
1035 |
|
|
8 |
A' |
1373 |
1358 |
0.989 |
135 |
1036 |
|
|
9 |
A' |
1269 |
1254 |
0.988 |
135 |
1037 |
|
|
10 |
A' |
1166 |
1159 |
0.994 |
135 |
1038 |
|
|
11 |
A' |
1145 |
1121 |
0.979 |
135 |
1039 |
|
|
12 |
A' |
1080 |
1054 |
0.976 |
135 |
1040 |
|
|
13 |
A' |
1006 |
1009 |
1.003 |
135 |
1041 |
|
|
14 |
A' |
962 |
924 |
0.961 |
135 |
1042 |
|
|
15 |
A' |
943 |
908 |
0.963 |
135 |
1043 |
|
|
16 |
A" |
963 |
879 |
0.913 |
135 |
1044 |
|
|
17 |
A" |
899 |
833 |
0.927 |
135 |
1045 |
|
|
18 |
A" |
799 |
745 |
0.933 |
135 |
1046 |
|
|
19 |
A" |
692 |
674 |
0.974 |
135 |
1047 |
|
|
20 |
A" |
664 |
623 |
0.938 |
135 |
1048 |
|
|
21 |
A" |
615 |
516 |
0.839 |
135 |
1049 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3640 |
3517 |
0.966 |
136 |
1050 |
|
|
2 |
A' |
3348 |
3143 |
0.939 |
136 |
1051 |
|
|
3 |
A' |
3323 |
3123 |
0.940 |
136 |
1052 |
|
|
4 |
A' |
3320 |
3110 |
0.937 |
136 |
1053 |
|
|
5 |
A' |
1551 |
1448 |
0.934 |
136 |
1054 |
|
|
6 |
A' |
1483 |
1404 |
0.947 |
136 |
1055 |
|
|
7 |
A' |
1415 |
1328 |
0.939 |
136 |
1056 |
|
|
8 |
A' |
1346 |
1265 |
0.940 |
136 |
1057 |
|
|
9 |
A' |
1291 |
1188 |
0.920 |
136 |
1058 |
|
|
10 |
A' |
1168 |
1098 |
0.940 |
136 |
1059 |
|
|
11 |
A' |
1129 |
1062 |
0.941 |
136 |
1060 |
|
|
12 |
A' |
1106 |
1013 |
0.916 |
136 |
1061 |
|
|
13 |
A' |
1068 |
988 |
0.925 |
136 |
1062 |
|
|
14 |
A' |
971 |
923 |
0.950 |
136 |
1063 |
|
|
15 |
A' |
928 |
898 |
0.968 |
136 |
1064 |
|
|
16 |
A" |
934 |
831 |
0.890 |
136 |
1065 |
|
|
17 |
A" |
868 |
758 |
0.873 |
136 |
1066 |
|
|
18 |
A" |
790 |
674 |
0.853 |
136 |
1067 |
|
|
19 |
A" |
693 |
663 |
0.957 |
136 |
1068 |
|
|
20 |
A" |
674 |
621 |
0.921 |
136 |
1069 |
|
|
21 |
A" |
655 |
539 |
0.822 |
136 |
1070 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3257 |
3042 |
0.934 |
137 |
1071 |
|
|
2 |
A1' |
1189 |
1132 |
0.952 |
137 |
1072 |
|
|
3 |
A1' |
978 |
992 |
1.015 |
137 |
1073 |
|
|
4 |
A2' |
1416 |
1278 |
0.902 |
137 |
1074 |
|
|
5 |
A2' |
1081 |
1068 |
0.988 |
137 |
1075 |
|
|
6 |
A2" |
975 |
925 |
0.949 |
137 |
1076 |
|
|
7 |
A2" |
785 |
737 |
0.939 |
137 |
1077 |
|
|
8 |
E' |
3246 |
3056 |
0.941 |
137 |
1078 |
|
|
9 |
E' |
1527 |
1555 |
1.019 |
137 |
1079 |
|
|
10 |
E' |
1435 |
1410 |
0.982 |
137 |
1080 |
|
|
11 |
E' |
1164 |
1176 |
1.010 |
137 |
1081 |
|
|
12 |
E' |
697 |
657 |
0.942 |
137 |
1082 |
|
|
13 |
E" |
1060 |
830 |
0.783 |
137 |
1083 |
|
|
14 |
E" |
371 |
340 |
0.918 |
137 |
1084 |
CH3CH2OH |
Ethanol |
1 |
A' |
3556 |
3653 |
1.027 |
138 |
1085 |
|
|
2 |
A' |
3168 |
2984 |
0.942 |
138 |
1086 |
|
|
3 |
A' |
3088 |
2939 |
0.952 |
138 |
1087 |
|
|
4 |
A' |
3011 |
2900 |
0.963 |
138 |
1088 |
|
|
5 |
A' |
1598 |
1490 |
0.933 |
138 |
1089 |
|
|
6 |
A' |
1573 |
1464 |
0.930 |
138 |
1090 |
|
|
7 |
A' |
1479 |
1412 |
0.954 |
138 |
1091 |
|
|
8 |
A' |
1460 |
1371 |
0.940 |
138 |
1092 |
|
|
9 |
A' |
1299 |
1256 |
0.967 |
138 |
1093 |
|
|
10 |
A' |
1130 |
1091 |
0.966 |
138 |
1094 |
|
|
11 |
A' |
1026 |
1028 |
1.002 |
138 |
1095 |
|
|
12 |
A' |
914 |
888 |
0.971 |
138 |
1096 |
|
|
13 |
A' |
402 |
417 |
1.036 |
138 |
1097 |
|
|
14 |
A" |
3172 |
2991 |
0.943 |
138 |
1098 |
|
|
15 |
A" |
3040 |
2910 |
0.957 |
138 |
1099 |
|
|
16 |
A" |
1551 |
1446 |
0.932 |
138 |
1100 |
|
|
17 |
A" |
1335 |
1275 |
0.955 |
138 |
1101 |
|
|
18 |
A" |
1190 |
1161 |
0.976 |
138 |
1102 |
|
|
19 |
A" |
867 |
812 |
0.937 |
138 |
1103 |
|
|
20 |
A" |
316 |
251 |
0.795 |
138 |
1104 |
|
|
21 |
A" |
245 |
200 |
0.816 |
138 |
1105 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3161 |
2996 |
0.948 |
139 |
1106 |
|
|
2 |
A1 |
3014 |
2817 |
0.935 |
139 |
1107 |
|
|
3 |
A1 |
1593 |
1464 |
0.919 |
139 |
1108 |
|
|
4 |
A1 |
1532 |
1452 |
0.948 |
139 |
1109 |
|
|
5 |
A1 |
1256 |
1244 |
0.991 |
139 |
1110 |
|
|
6 |
A1 |
912 |
928 |
1.017 |
139 |
1111 |
|
|
7 |
A1 |
404 |
418 |
1.034 |
139 |
1112 |
|
|
8 |
A2 |
3055 |
2952 |
0.966 |
139 |
1113 |
|
|
9 |
A2 |
1551 |
1464 |
0.944 |
139 |
1114 |
|
|
10 |
A2 |
1158 |
1150 |
0.993 |
139 |
1115 |
|
|
11 |
A2 |
248 |
203 |
0.820 |
139 |
1116 |
|
|
12 |
B1 |
3053 |
2925 |
0.958 |
139 |
1117 |
|
|
13 |
B1 |
1559 |
1464 |
0.939 |
139 |
1118 |
|
|
14 |
B1 |
1191 |
1179 |
0.990 |
139 |
1119 |
|
|
15 |
B1 |
249 |
242 |
0.970 |
139 |
1120 |
|
|
16 |
B2 |
3158 |
2996 |
0.949 |
139 |
1121 |
|
|
17 |
B2 |
3004 |
2817 |
0.938 |
139 |
1122 |
|
|
18 |
B2 |
1573 |
1464 |
0.931 |
139 |
1123 |
|
|
19 |
B2 |
1490 |
1452 |
0.975 |
139 |
1124 |
|
|
20 |
B2 |
1172 |
1227 |
1.047 |
139 |
1125 |
|
|
21 |
B2 |
1106 |
1102 |
0.996 |
139 |
1126 |
C4H4O |
Furan |
1 |
A1 |
3361 |
3161 |
0.941 |
140 |
1127 |
|
|
2 |
A1 |
3322 |
3140 |
0.945 |
140 |
1128 |
|
|
3 |
A1 |
1505 |
1491 |
0.991 |
140 |
1129 |
|
|
4 |
A1 |
1415 |
1384 |
0.978 |
140 |
1130 |
|
|
5 |
A1 |
1174 |
1140 |
0.971 |
140 |
1131 |
|
|
6 |
A1 |
1087 |
1066 |
0.980 |
140 |
1132 |
|
|
7 |
A1 |
1017 |
995 |
0.978 |
140 |
1133 |
|
|
8 |
A1 |
892 |
871 |
0.977 |
140 |
1134 |
|
|
9 |
A2 |
936 |
838 |
0.895 |
140 |
1135 |
|
|
10 |
A2 |
778 |
728 |
0.935 |
140 |
1136 |
|
|
11 |
A2 |
630 |
603 |
0.957 |
140 |
1137 |
|
|
12 |
B1 |
908 |
863 |
0.950 |
140 |
1138 |
|
|
13 |
B1 |
785 |
745 |
0.949 |
140 |
1139 |
|
|
14 |
B1 |
625 |
613 |
0.981 |
140 |
1140 |
|
|
15 |
B2 |
3350 |
3154 |
0.941 |
140 |
1141 |
|
|
16 |
B2 |
3311 |
3129 |
0.945 |
140 |
1142 |
|
|
17 |
B2 |
1597 |
1556 |
0.974 |
140 |
1143 |
|
|
18 |
B2 |
1304 |
1267 |
0.972 |
140 |
1144 |
|
|
19 |
B2 |
1196 |
1180 |
0.987 |
140 |
1145 |
|
|
20 |
B2 |
1055 |
1040 |
0.986 |
140 |
1146 |
|
|
21 |
B2 |
917 |
873 |
0.952 |
140 |
1147 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3152 |
3001 |
0.952 |
141 |
1148 |
|
|
2 |
A' |
3140 |
2935 |
0.935 |
141 |
1149 |
|
|
3 |
A' |
1940 |
1882 |
0.970 |
141 |
1150 |
|
|
4 |
A' |
1563 |
1475 |
0.944 |
141 |
1151 |
|
|
5 |
A' |
1494 |
1427 |
0.955 |
141 |
1152 |
|
|
6 |
A' |
1327 |
1319 |
0.994 |
141 |
1153 |
|
|
7 |
A' |
1267 |
1199 |
0.946 |
141 |
1154 |
|
|
8 |
A' |
1051 |
1093 |
1.040 |
141 |
1155 |
|
|
9 |
A' |
1000 |
1005 |
1.005 |
141 |
1156 |
|
|
10 |
A' |
908 |
924 |
1.018 |
141 |
1157 |
|
|
11 |
A' |
880 |
891 |
1.013 |
141 |
1158 |
|
|
12 |
A' |
739 |
746 |
1.010 |
141 |
1159 |
|
|
13 |
A' |
482 |
513 |
1.063 |
141 |
1160 |
|
|
14 |
A" |
3226 |
3028 |
0.939 |
141 |
1161 |
|
|
15 |
A" |
3201 |
3000 |
0.937 |
141 |
1162 |
|
|
16 |
A" |
1238 |
1184 |
0.957 |
141 |
1163 |
|
|
17 |
A" |
1136 |
1139 |
1.003 |
141 |
1164 |
|
|
18 |
A" |
1071 |
1046 |
0.976 |
141 |
1165 |
|
|
19 |
A" |
813 |
790 |
0.972 |
141 |
1166 |
|
|
20 |
A" |
520 |
490 |
0.942 |
141 |
1167 |
|
|
21 |
A" |
168 |
113 |
0.673 |
141 |
1168 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3156 |
2966 |
0.940 |
142 |
1169 |
|
|
1 |
A |
3171 |
2980 |
0.940 |
142 |
1170 |
|
|
2 |
A |
3148 |
2967 |
0.943 |
142 |
1171 |
|
|
2 |
A' |
3098 |
2872 |
0.927 |
142 |
1172 |
|
|
3 |
A' |
3079 |
2872 |
0.933 |
142 |
1173 |
|
|
3 |
A |
3137 |
2930 |
0.934 |
142 |
1174 |
|
|
4 |
A |
3099 |
2902 |
0.936 |
142 |
1175 |
|
|
4 |
A' |
2719 |
2580 |
0.949 |
142 |
1176 |
|
|
5 |
A' |
1571 |
1453 |
0.925 |
142 |
1177 |
|
|
5 |
A |
3072 |
2875 |
0.936 |
142 |
1178 |
|
|
6 |
A |
2724 |
2591 |
0.951 |
142 |
1179 |
|
|
6 |
A' |
1545 |
1453 |
0.940 |
142 |
1180 |
|
|
7 |
A' |
1470 |
1385 |
0.942 |
142 |
1181 |
|
|
7 |
A |
1567 |
1462 |
0.933 |
142 |
1182 |
|
|
8 |
A |
1561 |
1452 |
0.930 |
142 |
1183 |
|
|
8 |
A' |
1346 |
1309 |
0.972 |
142 |
1184 |
|
|
9 |
A' |
1141 |
1097 |
0.961 |
142 |
1185 |
|
|
9 |
A |
1539 |
1437 |
0.934 |
142 |
1186 |
|
|
10 |
A |
1468 |
1377 |
0.938 |
142 |
1187 |
|
|
10 |
A' |
1013 |
978 |
0.965 |
142 |
1188 |
|
|
11 |
A' |
884 |
870 |
0.985 |
142 |
1189 |
|
|
11 |
A |
1350 |
1269 |
0.940 |
142 |
1190 |
|
|
12 |
A |
1328 |
1246 |
0.938 |
142 |
1191 |
|
|
12 |
A' |
683 |
660 |
0.966 |
142 |
1192 |
|
|
13 |
A' |
314 |
332 |
1.056 |
142 |
1193 |
|
|
13 |
A |
1162 |
1093 |
0.941 |
142 |
1194 |
|
|
14 |
A |
1096 |
1051 |
0.959 |
142 |
1195 |
|
|
14 |
A" |
3169 |
2966 |
0.936 |
142 |
1196 |
|
|
15 |
A" |
3142 |
2930 |
0.932 |
142 |
1197 |
|
|
15 |
A |
999 |
970 |
0.971 |
142 |
1198 |
|
|
16 |
A |
918 |
867 |
0.945 |
142 |
1199 |
|
|
16 |
A" |
1564 |
1453 |
0.929 |
142 |
1200 |
|
|
17 |
A" |
1320 |
1269 |
0.961 |
142 |
1201 |
|
|
17 |
A |
766 |
735 |
0.960 |
142 |
1202 |
|
|
18 |
A |
670 |
658 |
0.982 |
142 |
1203 |
|
|
18 |
A" |
1089 |
1049 |
0.963 |
142 |
1204 |
|
|
19 |
A" |
824 |
745 |
0.904 |
142 |
1205 |
|
|
19 |
A |
342 |
319 |
0.934 |
142 |
1206 |
|
|
20 |
A |
273 |
|
|
142 |
1207 |
|
|
21 |
A |
243 |
|
|
142 |
1208 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3165 |
2997 |
0.947 |
143 |
1209 |
|
|
2 |
A1 |
3066 |
2925 |
0.954 |
143 |
1210 |
|
|
3 |
A1 |
1557 |
1447 |
0.929 |
143 |
1211 |
|
|
4 |
A1 |
1439 |
1337 |
0.929 |
143 |
1212 |
|
|
5 |
A1 |
1101 |
1030 |
0.935 |
143 |
1213 |
|
|
6 |
A1 |
704 |
695 |
0.987 |
143 |
1214 |
|
|
7 |
A1 |
268 |
280 |
1.044 |
143 |
1215 |
|
|
8 |
A2 |
3150 |
2970 |
0.943 |
143 |
1216 |
|
|
9 |
A2 |
1535 |
1427 |
0.929 |
143 |
1217 |
|
|
10 |
A2 |
998 |
946 |
0.948 |
143 |
1218 |
|
|
11 |
A2 |
194 |
175 |
0.903 |
143 |
1219 |
|
|
12 |
B1 |
3144 |
2970 |
0.945 |
143 |
1220 |
|
|
13 |
B1 |
1546 |
1439 |
0.931 |
143 |
1221 |
|
|
14 |
B1 |
1036 |
973 |
0.939 |
143 |
1222 |
|
|
15 |
B1 |
192 |
183 |
0.955 |
143 |
1223 |
|
|
16 |
B2 |
3166 |
2999 |
0.947 |
143 |
1224 |
|
|
17 |
B2 |
3069 |
2919 |
0.951 |
143 |
1225 |
|
|
18 |
B2 |
1546 |
1442 |
0.933 |
143 |
1226 |
|
|
19 |
B2 |
1416 |
1315 |
0.929 |
143 |
1227 |
|
|
20 |
B2 |
960 |
903 |
0.940 |
143 |
1228 |
|
|
21 |
B2 |
753 |
742 |
0.985 |
143 |
1229 |
C4H4S |
Thiophene |
1 |
A1 |
3308 |
3126 |
0.945 |
144 |
1230 |
|
|
2 |
A1 |
3277 |
3098 |
0.946 |
144 |
1231 |
|
|
3 |
A1 |
1450 |
1409 |
0.972 |
144 |
1232 |
|
|
4 |
A1 |
1422 |
1360 |
0.956 |
144 |
1233 |
|
|
5 |
A1 |
1150 |
1083 |
0.942 |
144 |
1234 |
|
|
6 |
A1 |
1065 |
1036 |
0.972 |
144 |
1235 |
|
|
7 |
A1 |
862 |
872 |
1.012 |
144 |
1236 |
|
|
8 |
A1 |
646 |
608 |
0.942 |
144 |
1237 |
|
|
9 |
A2 |
971 |
867 |
0.893 |
144 |
1238 |
|
|
10 |
A2 |
740 |
688 |
0.930 |
144 |
1239 |
|
|
11 |
A2 |
601 |
567 |
0.943 |
144 |
1240 |
|
|
12 |
B1 |
936 |
839 |
0.896 |
144 |
1241 |
|
|
13 |
B1 |
759 |
712 |
0.938 |
144 |
1242 |
|
|
14 |
B1 |
477 |
452 |
0.948 |
144 |
1243 |
|
|
15 |
B2 |
3303 |
3125 |
0.946 |
144 |
1244 |
|
|
16 |
B2 |
3262 |
3086 |
0.946 |
144 |
1245 |
|
|
17 |
B2 |
1567 |
1504 |
0.960 |
144 |
1246 |
|
|
18 |
B2 |
1324 |
1256 |
0.948 |
144 |
1247 |
|
|
19 |
B2 |
1145 |
1085 |
0.947 |
144 |
1248 |
|
|
20 |
B2 |
912 |
903 |
0.990 |
144 |
1249 |
|
|
21 |
B2 |
776 |
751 |
0.968 |
144 |
1250 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3270 |
3087 |
0.944 |
145 |
1251 |
|
|
2 |
Ag |
3184 |
3003 |
0.943 |
145 |
1252 |
|
|
3 |
Ag |
3173 |
2992 |
0.943 |
145 |
1253 |
|
|
4 |
Ag |
1731 |
1630 |
0.942 |
145 |
1254 |
|
|
5 |
Ag |
1526 |
1438 |
0.942 |
145 |
1255 |
|
|
6 |
Ag |
1359 |
1280 |
0.942 |
145 |
1256 |
|
|
7 |
Ag |
1262 |
1196 |
0.948 |
145 |
1257 |
|
|
8 |
Ag |
914 |
894 |
0.978 |
145 |
1258 |
|
|
9 |
Ag |
540 |
512 |
0.948 |
145 |
1259 |
|
|
10 |
Au |
1077 |
1013 |
0.940 |
145 |
1260 |
|
|
11 |
Au |
973 |
908 |
0.934 |
145 |
1261 |
|
|
12 |
Au |
540 |
522 |
0.966 |
145 |
1262 |
|
|
13 |
Au |
172 |
162 |
0.943 |
145 |
1263 |
|
|
14 |
Bg |
1028 |
976 |
0.949 |
145 |
1264 |
|
|
15 |
Bg |
971 |
912 |
0.939 |
145 |
1265 |
|
|
16 |
Bg |
795 |
770 |
0.968 |
145 |
1266 |
|
|
17 |
Bu |
3271 |
3101 |
0.948 |
145 |
1267 |
|
|
18 |
Bu |
3189 |
3055 |
0.958 |
145 |
1268 |
|
|
19 |
Bu |
3180 |
2984 |
0.938 |
145 |
1269 |
|
|
20 |
Bu |
1685 |
1596 |
0.947 |
145 |
1270 |
|
|
21 |
Bu |
1472 |
1381 |
0.938 |
145 |
1271 |
|
|
22 |
Bu |
1372 |
1294 |
0.943 |
145 |
1272 |
|
|
23 |
Bu |
1051 |
990 |
0.942 |
145 |
1273 |
|
|
24 |
Bu |
306 |
301 |
0.985 |
145 |
1274 |
CHCCH2CH3 |
1-Butyne |
1 |
A' |
3519 |
3332 |
0.947 |
146 |
1275 |
|
|
2 |
A' |
3161 |
2988 |
0.945 |
146 |
1276 |
|
|
3 |
A' |
3084 |
|
|
146 |
1277 |
|
|
4 |
A' |
3073 |
|
|
146 |
1278 |
|
|
5 |
A' |
2261 |
2116 |
0.936 |
146 |
1279 |
|
|
6 |
A' |
1569 |
1470 |
0.937 |
146 |
1280 |
|
|
7 |
A' |
1536 |
1446 |
0.941 |
146 |
1281 |
|
|
8 |
A' |
1465 |
1385 |
0.946 |
146 |
1282 |
|
|
9 |
A' |
1380 |
1322 |
0.958 |
146 |
1283 |
|
|
10 |
A' |
1127 |
1070 |
0.950 |
146 |
1284 |
|
|
11 |
A' |
1026 |
1008 |
0.982 |
146 |
1285 |
|
|
12 |
A' |
856 |
840 |
0.981 |
146 |
1286 |
|
|
13 |
A' |
748 |
634 |
0.847 |
146 |
1287 |
|
|
14 |
A' |
547 |
509 |
0.930 |
146 |
1288 |
|
|
15 |
A' |
211 |
197 |
0.929 |
146 |
1289 |
|
|
16 |
A" |
3171 |
2988 |
0.942 |
146 |
1290 |
|
|
17 |
A" |
3109 |
2939 |
0.945 |
146 |
1291 |
|
|
18 |
A" |
1564 |
1462 |
0.935 |
146 |
1292 |
|
|
19 |
A" |
1344 |
1261 |
0.938 |
146 |
1293 |
|
|
20 |
A" |
1151 |
1090 |
0.947 |
146 |
1294 |
|
|
21 |
A" |
815 |
782 |
0.959 |
146 |
1295 |
|
|
22 |
A" |
744 |
630 |
0.847 |
146 |
1296 |
|
|
23 |
A" |
384 |
344 |
0.896 |
146 |
1297 |
|
|
24 |
A" |
227 |
213 |
0.939 |
146 |
1298 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3178 |
3061 |
0.963 |
147 |
1299 |
|
|
2 |
A' |
3160 |
3010 |
0.952 |
147 |
1300 |
|
|
3 |
A' |
3158 |
2965 |
0.939 |
147 |
1301 |
|
|
4 |
A' |
3067 |
2905 |
0.947 |
147 |
1302 |
|
|
5 |
A' |
2106 |
1970 |
0.935 |
147 |
1303 |
|
|
6 |
A' |
1565 |
1453 |
0.929 |
147 |
1304 |
|
|
7 |
A' |
1524 |
1437 |
0.943 |
147 |
1305 |
|
|
8 |
A' |
1459 |
1389 |
0.952 |
147 |
1306 |
|
|
9 |
A' |
1402 |
1330 |
0.949 |
147 |
1307 |
|
|
10 |
A' |
1177 |
1132 |
0.961 |
147 |
1308 |
|
|
11 |
A' |
1125 |
1074 |
0.955 |
147 |
1309 |
|
|
12 |
A' |
920 |
876 |
0.952 |
147 |
1310 |
|
|
13 |
A' |
892 |
859 |
0.963 |
147 |
1311 |
|
|
14 |
A' |
582 |
555 |
0.953 |
147 |
1312 |
|
|
15 |
A' |
210 |
210 |
0.999 |
147 |
1313 |
|
|
16 |
A" |
3232 |
3061 |
0.947 |
147 |
1314 |
|
|
17 |
A" |
3123 |
2965 |
0.949 |
147 |
1315 |
|
|
18 |
A" |
1554 |
1453 |
0.935 |
147 |
1316 |
|
|
19 |
A" |
1102 |
1110 |
1.007 |
147 |
1317 |
|
|
20 |
A" |
1071 |
1011 |
0.944 |
147 |
1318 |
|
|
21 |
A" |
922 |
842 |
0.914 |
147 |
1319 |
|
|
22 |
A" |
551 |
523 |
0.949 |
147 |
1320 |
|
|
23 |
A" |
337 |
322 |
0.957 |
147 |
1321 |
C4H6 |
Cyclobutene |
1 |
A1 |
3284 |
3060 |
0.932 |
148 |
1322 |
|
|
2 |
A1 |
3111 |
2935 |
0.944 |
148 |
1323 |
|
|
3 |
A1 |
1637 |
1570 |
0.959 |
148 |
1324 |
|
|
4 |
A1 |
1527 |
1450 |
0.950 |
148 |
1325 |
|
|
5 |
A1 |
1226 |
1276 |
1.041 |
148 |
1326 |
|
|
6 |
A1 |
1139 |
1186 |
1.041 |
148 |
1327 |
|
|
7 |
A1 |
997 |
1113 |
1.117 |
148 |
1328 |
|
|
8 |
A1 |
873 |
886 |
1.014 |
148 |
1329 |
|
|
9 |
A2 |
3158 |
2955 |
0.936 |
148 |
1330 |
|
|
10 |
A2 |
1200 |
1276 |
1.064 |
148 |
1331 |
|
|
11 |
A2 |
1048 |
1081 |
1.031 |
148 |
1332 |
|
|
12 |
A2 |
973 |
850 |
0.874 |
148 |
1333 |
|
|
13 |
A2 |
319 |
325 |
1.019 |
148 |
1334 |
|
|
14 |
B1 |
3173 |
2955 |
0.931 |
148 |
1335 |
|
|
15 |
B1 |
1139 |
1074 |
0.943 |
148 |
1336 |
|
|
16 |
B1 |
888 |
846 |
0.953 |
148 |
1337 |
|
|
17 |
B1 |
674 |
635 |
0.942 |
148 |
1338 |
|
|
18 |
B2 |
3246 |
3047 |
0.939 |
148 |
1339 |
|
|
19 |
B2 |
3103 |
2916 |
0.940 |
148 |
1340 |
|
|
20 |
B2 |
1509 |
1427 |
0.946 |
148 |
1341 |
|
|
21 |
B2 |
1323 |
1294 |
0.978 |
148 |
1342 |
|
|
22 |
B2 |
1266 |
1214 |
0.959 |
148 |
1343 |
|
|
23 |
B2 |
904 |
888 |
0.983 |
148 |
1344 |
|
|
24 |
B2 |
880 |
740 |
0.841 |
148 |
1345 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3173 |
3010 |
0.949 |
149 |
1346 |
|
|
2 |
A1 |
3171 |
3002 |
0.947 |
149 |
1347 |
|
|
3 |
A1 |
1872 |
1743 |
0.931 |
149 |
1348 |
|
|
4 |
A1 |
1529 |
1437 |
0.940 |
149 |
1349 |
|
|
5 |
A1 |
1499 |
1410 |
0.941 |
149 |
1350 |
|
|
6 |
A1 |
1079 |
1036 |
0.960 |
149 |
1351 |
|
|
7 |
A1 |
1043 |
1002 |
0.960 |
149 |
1352 |
|
|
8 |
A1 |
734 |
723 |
0.985 |
149 |
1353 |
|
|
9 |
A2 |
3250 |
3051 |
0.939 |
149 |
1354 |
|
|
10 |
A2 |
1189 |
1144 |
0.962 |
149 |
1355 |
|
|
11 |
A2 |
990 |
937 |
0.947 |
149 |
1356 |
|
|
12 |
A2 |
645 |
616 |
0.955 |
149 |
1357 |
|
|
13 |
B1 |
3265 |
3071 |
0.941 |
149 |
1358 |
|
|
14 |
B1 |
1140 |
1072 |
0.940 |
149 |
1359 |
|
|
15 |
B1 |
968 |
889 |
0.918 |
149 |
1360 |
|
|
16 |
B1 |
784 |
748 |
0.954 |
149 |
1361 |
|
|
17 |
B1 |
333 |
360 |
1.082 |
149 |
1362 |
|
|
18 |
B2 |
3252 |
3086 |
0.949 |
149 |
1363 |
|
|
19 |
B2 |
3169 |
2999 |
0.946 |
149 |
1364 |
|
|
20 |
B2 |
1493 |
1353 |
0.906 |
149 |
1365 |
|
|
21 |
B2 |
1185 |
1174 |
0.991 |
149 |
1366 |
|
|
22 |
B2 |
1118 |
1125 |
1.006 |
149 |
1367 |
|
|
23 |
B2 |
909 |
792 |
0.871 |
149 |
1368 |
|
|
24 |
B2 |
371 |
290 |
0.782 |
149 |
1369 |
C4H6 |
Bicyclo[1.1.0]butane |
1 |
A1 |
3343 |
3131 |
0.937 |
150 |
1370 |
|
|
2 |
A1 |
3237 |
3044 |
0.940 |
150 |
1371 |
|
|
3 |
A1 |
3135 |
2935 |
0.936 |
150 |
1372 |
|
|
4 |
A1 |
1561 |
1501 |
0.962 |
150 |
1373 |
|
|
5 |
A1 |
1276 |
1266 |
0.992 |
150 |
1374 |
|
|
6 |
A1 |
1121 |
1081 |
0.964 |
150 |
1375 |
|
|
7 |
A1 |
876 |
839 |
0.957 |
150 |
1376 |
|
|
8 |
A1 |
808 |
657 |
0.813 |
150 |
1377 |
|
|
9 |
A1 |
458 |
423 |
0.923 |
150 |
1378 |
|
|
10 |
A2 |
1205 |
1172 |
0.972 |
150 |
1379 |
|
|
11 |
A2 |
1117 |
1063 |
0.952 |
150 |
1380 |
|
|
12 |
A2 |
963 |
909 |
0.943 |
150 |
1381 |
|
|
13 |
A2 |
826 |
838 |
1.014 |
150 |
1382 |
|
|
14 |
B1 |
3325 |
3120 |
0.938 |
150 |
1383 |
|
|
15 |
B1 |
1182 |
1110 |
0.939 |
150 |
1384 |
|
|
16 |
B1 |
1172 |
1092 |
0.932 |
150 |
1385 |
|
|
17 |
B1 |
1031 |
980 |
0.951 |
150 |
1386 |
|
|
18 |
B1 |
759 |
737 |
0.970 |
150 |
1387 |
|
|
19 |
B2 |
3239 |
3044 |
0.940 |
150 |
1388 |
|
|
20 |
B2 |
3139 |
2969 |
0.946 |
150 |
1389 |
|
|
21 |
B2 |
1528 |
1485 |
0.972 |
150 |
1390 |
|
|
22 |
B2 |
1301 |
1261 |
0.969 |
150 |
1391 |
|
|
23 |
B2 |
1088 |
1081 |
0.993 |
150 |
1392 |
|
|
24 |
B2 |
960 |
935 |
0.975 |
150 |
1393 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3451 |
3345 |
0.969 |
151 |
1394 |
|
|
2 |
A' |
3138 |
2985 |
0.951 |
151 |
1395 |
|
|
3 |
A' |
3080 |
2840 |
0.922 |
151 |
1396 |
|
|
4 |
A' |
3060 |
2860 |
0.935 |
151 |
1397 |
|
|
5 |
A' |
1732 |
1622 |
0.936 |
151 |
1398 |
|
|
6 |
A' |
1566 |
1487 |
0.950 |
151 |
1399 |
|
|
7 |
A' |
1547 |
1465 |
0.947 |
151 |
1400 |
|
|
8 |
A' |
1455 |
1378 |
0.947 |
151 |
1401 |
|
|
9 |
A' |
1406 |
1397 |
0.994 |
151 |
1402 |
|
|
10 |
A' |
1170 |
1016 |
0.869 |
151 |
1403 |
|
|
11 |
A' |
1054 |
1086 |
1.031 |
151 |
1404 |
|
|
12 |
A' |
900 |
892 |
0.991 |
151 |
1405 |
|
|
13 |
A' |
714 |
773 |
1.083 |
151 |
1406 |
|
|
14 |
A' |
395 |
403 |
1.020 |
151 |
1407 |
|
|
15 |
A" |
3552 |
3412 |
0.960 |
151 |
1408 |
|
|
16 |
A" |
3145 |
2924 |
0.930 |
151 |
1409 |
|
|
17 |
A" |
3113 |
2906 |
0.933 |
151 |
1410 |
|
|
18 |
A" |
1566 |
1455 |
0.929 |
151 |
1411 |
|
|
19 |
A" |
1417 |
1238 |
0.874 |
151 |
1412 |
|
|
20 |
A" |
1306 |
1293 |
0.990 |
151 |
1413 |
|
|
21 |
A" |
1031 |
1117 |
1.084 |
151 |
1414 |
|
|
22 |
A" |
794 |
816 |
1.027 |
151 |
1415 |
|
|
23 |
A" |
312 |
259 |
0.830 |
151 |
1416 |
|
|
24 |
A" |
258 |
218 |
0.846 |
151 |
1417 |
C4H5N |
Pyrrole |
1 |
A1 |
3659 |
3531 |
0.965 |
152 |
1418 |
|
|
2 |
A1 |
3334 |
3149 |
0.945 |
152 |
1419 |
|
|
3 |
A1 |
3308 |
3128 |
0.946 |
152 |
1420 |
|
|
4 |
A1 |
1501 |
1472 |
0.981 |
152 |
1421 |
|
|
5 |
A1 |
1425 |
1401 |
0.983 |
152 |
1422 |
|
|
6 |
A1 |
1179 |
1148 |
0.973 |
152 |
1423 |
|
|
7 |
A1 |
1118 |
1075 |
0.961 |
152 |
1424 |
|
|
8 |
A1 |
1046 |
1017 |
0.972 |
152 |
1425 |
|
|
9 |
A1 |
936 |
882 |
0.942 |
152 |
1426 |
|
|
10 |
A2 |
929 |
864 |
0.930 |
152 |
1427 |
|
|
11 |
A2 |
739 |
692 |
0.937 |
152 |
1428 |
|
|
12 |
A2 |
648 |
614 |
0.948 |
152 |
1429 |
|
|
13 |
B1 |
889 |
827 |
0.930 |
152 |
1430 |
|
|
14 |
B1 |
761 |
722 |
0.949 |
152 |
1431 |
|
|
15 |
B1 |
656 |
621 |
0.946 |
152 |
1432 |
|
|
16 |
B1 |
618 |
475 |
0.768 |
152 |
1433 |
|
|
17 |
B2 |
3323 |
3143 |
0.946 |
152 |
1434 |
|
|
18 |
B2 |
3297 |
3119 |
0.946 |
152 |
1435 |
|
|
19 |
B2 |
1591 |
1519 |
0.955 |
152 |
1436 |
|
|
20 |
B2 |
1456 |
1424 |
0.978 |
152 |
1437 |
|
|
21 |
B2 |
1339 |
1288 |
0.962 |
152 |
1438 |
|
|
22 |
B2 |
1189 |
1134 |
0.954 |
152 |
1439 |
|
|
23 |
B2 |
1082 |
1049 |
0.970 |
152 |
1440 |
|
|
24 |
B2 |
919 |
866 |
0.942 |
152 |
1441 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3308 |
3120 |
0.943 |
153 |
1442 |
|
|
2 |
A' |
3232 |
3052 |
0.944 |
153 |
1443 |
|
|
3 |
A' |
3206 |
3044 |
0.950 |
153 |
1444 |
|
|
4 |
A' |
2374 |
2264 |
0.954 |
153 |
1445 |
|
|
5 |
A' |
1532 |
1468 |
0.958 |
153 |
1446 |
|
|
6 |
A' |
1403 |
1344 |
0.958 |
153 |
1447 |
|
|
7 |
A' |
1201 |
1195 |
0.995 |
153 |
1448 |
|
|
8 |
A' |
1175 |
1125 |
0.958 |
153 |
1449 |
|
|
9 |
A' |
1102 |
1049 |
0.952 |
153 |
1450 |
|
|
10 |
A' |
966 |
941 |
0.974 |
153 |
1451 |
|
|
11 |
A' |
829 |
808 |
0.974 |
153 |
1452 |
|
|
12 |
A' |
778 |
736 |
0.946 |
153 |
1453 |
|
|
13 |
A' |
571 |
527 |
0.924 |
153 |
1454 |
|
|
14 |
A' |
239 |
222 |
0.928 |
153 |
1455 |
|
|
15 |
A" |
3292 |
3094 |
0.940 |
153 |
1456 |
|
|
16 |
A" |
3201 |
3040 |
0.950 |
153 |
1457 |
|
|
17 |
A" |
1513 |
1442 |
0.953 |
153 |
1458 |
|
|
18 |
A" |
1223 |
1180 |
0.965 |
153 |
1459 |
|
|
19 |
A" |
1150 |
1070 |
0.931 |
153 |
1460 |
|
|
20 |
A" |
1122 |
1088 |
0.970 |
153 |
1461 |
|
|
21 |
A" |
923 |
880 |
0.954 |
153 |
1462 |
|
|
22 |
A" |
837 |
821 |
0.980 |
153 |
1463 |
|
|
23 |
A" |
614 |
543 |
0.884 |
153 |
1464 |
|
|
24 |
A" |
240 |
222 |
0.926 |
153 |
1465 |
C4H4N2 |
Succinonitrile |
1 |
Ag |
3099 |
2947 |
0.951 |
154 |
1466 |
|
|
2 |
Ag |
2380 |
2254 |
0.947 |
154 |
1467 |
|
|
3 |
Ag |
1529 |
1422 |
0.930 |
154 |
1468 |
|
|
4 |
Ag |
1408 |
1328 |
0.943 |
154 |
1469 |
|
|
5 |
Ag |
1034 |
1023 |
0.990 |
154 |
1470 |
|
|
6 |
Ag |
998 |
809 |
0.810 |
154 |
1471 |
|
|
7 |
Ag |
554 |
508 |
0.917 |
154 |
1472 |
|
|
8 |
Ag |
261 |
187 |
0.716 |
154 |
1473 |
|
|
9 |
Au |
3162 |
2985 |
0.944 |
154 |
1474 |
|
|
10 |
Au |
1290 |
1197 |
0.928 |
154 |
1475 |
|
|
11 |
Au |
802 |
760 |
0.948 |
154 |
1476 |
|
|
12 |
Au |
485 |
357 |
0.736 |
154 |
1477 |
|
|
13 |
Au |
84 |
|
|
154 |
1478 |
|
|
14 |
Bg |
3140 |
2982 |
0.950 |
154 |
1479 |
|
|
15 |
Bg |
1373 |
1226 |
0.893 |
154 |
1480 |
|
|
16 |
Bg |
1077 |
951 |
0.883 |
154 |
1481 |
|
|
17 |
Bg |
446 |
387 |
0.867 |
154 |
1482 |
|
|
18 |
Bu |
3109 |
2965 |
0.954 |
154 |
1483 |
|
|
19 |
Bu |
2382 |
2255 |
0.947 |
154 |
1484 |
|
|
20 |
Bu |
1528 |
1425 |
0.933 |
154 |
1485 |
|
|
21 |
Bu |
1350 |
1270 |
0.941 |
154 |
1486 |
|
|
22 |
Bu |
957 |
917 |
0.959 |
154 |
1487 |
|
|
23 |
Bu |
595 |
526 |
0.885 |
154 |
1488 |
|
|
24 |
Bu |
148 |
|
|
154 |
1489 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3263 |
3063 |
0.939 |
155 |
1490 |
|
|
2 |
A1 |
3233 |
3043 |
0.941 |
155 |
1491 |
|
|
3 |
A1 |
1620 |
1572 |
0.970 |
155 |
1492 |
|
|
4 |
A1 |
1461 |
1414 |
0.968 |
155 |
1493 |
|
|
5 |
A1 |
1227 |
1283 |
1.045 |
155 |
1494 |
|
|
6 |
A1 |
1165 |
1160 |
0.995 |
155 |
1495 |
|
|
7 |
A1 |
1076 |
1063 |
0.988 |
155 |
1496 |
|
|
8 |
A1 |
905 |
964 |
1.065 |
155 |
1497 |
|
|
9 |
A1 |
699 |
619 |
0.886 |
155 |
1498 |
|
|
10 |
A2 |
1079 |
936 |
0.867 |
155 |
1499 |
|
|
11 |
A2 |
983 |
863 |
0.878 |
155 |
1500 |
|
|
12 |
A2 |
794 |
751 |
0.946 |
155 |
1501 |
|
|
13 |
A2 |
375 |
421 |
1.121 |
155 |
1502 |
|
|
14 |
B1 |
1034 |
|
|
155 |
1503 |
|
|
15 |
B1 |
792 |
760 |
0.959 |
155 |
1504 |
|
|
16 |
B1 |
390 |
370 |
0.950 |
155 |
1505 |
|
|
17 |
B2 |
3247 |
3075 |
0.947 |
155 |
1506 |
|
|
18 |
B2 |
3229 |
3043 |
0.942 |
155 |
1507 |
|
|
19 |
B2 |
1586 |
1565 |
0.987 |
155 |
1508 |
|
|
20 |
B2 |
1464 |
1444 |
0.986 |
155 |
1509 |
|
|
21 |
B2 |
1330 |
1239 |
0.931 |
155 |
1510 |
|
|
22 |
B2 |
1098 |
1052 |
0.958 |
155 |
1511 |
|
|
23 |
B2 |
1053 |
1009 |
0.958 |
155 |
1512 |
|
|
24 |
B2 |
644 |
664 |
1.032 |
155 |
1513 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3264 |
3082 |
0.944 |
156 |
1514 |
|
|
2 |
A1 |
3246 |
3053 |
0.941 |
156 |
1515 |
|
|
3 |
A1 |
3221 |
3049 |
0.946 |
156 |
1516 |
|
|
4 |
A1 |
1584 |
1572 |
0.992 |
156 |
1517 |
|
|
5 |
A1 |
1436 |
1465 |
1.020 |
156 |
1518 |
|
|
6 |
A1 |
1181 |
1155 |
0.978 |
156 |
1519 |
|
|
7 |
A1 |
1104 |
1065 |
0.965 |
156 |
1520 |
|
|
8 |
A1 |
995 |
969 |
0.974 |
156 |
1521 |
|
|
9 |
A1 |
713 |
679 |
0.953 |
156 |
1522 |
|
|
10 |
A2 |
1034 |
960 |
0.928 |
156 |
1523 |
|
|
11 |
A2 |
427 |
398 |
0.932 |
156 |
1524 |
|
|
12 |
B1 |
1081 |
1033 |
0.955 |
156 |
1525 |
|
|
13 |
B1 |
1028 |
980 |
0.953 |
156 |
1526 |
|
|
14 |
B1 |
857 |
804 |
0.938 |
156 |
1527 |
|
|
15 |
B1 |
773 |
719 |
0.930 |
156 |
1528 |
|
|
16 |
B1 |
367 |
347 |
0.945 |
156 |
1529 |
|
|
17 |
B2 |
3225 |
3047 |
0.945 |
156 |
1530 |
|
|
18 |
B2 |
1589 |
1569 |
0.988 |
156 |
1531 |
|
|
19 |
B2 |
1500 |
1411 |
0.941 |
156 |
1532 |
|
|
20 |
B2 |
1422 |
1356 |
0.953 |
156 |
1533 |
|
|
21 |
B2 |
1262 |
1224 |
0.970 |
156 |
1534 |
|
|
22 |
B2 |
1183 |
1158 |
0.979 |
156 |
1535 |
|
|
23 |
B2 |
1096 |
1071 |
0.977 |
156 |
1536 |
|
|
24 |
B2 |
652 |
621 |
0.953 |
156 |
1537 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3250 |
3055 |
0.940 |
157 |
1538 |
|
|
2 |
Ag |
1590 |
1580 |
0.993 |
157 |
1539 |
|
|
3 |
Ag |
1280 |
1233 |
0.963 |
157 |
1540 |
|
|
4 |
Ag |
1041 |
1016 |
0.976 |
157 |
1541 |
|
|
5 |
Ag |
630 |
602 |
0.956 |
157 |
1542 |
|
|
6 |
Au |
1064 |
960 |
0.902 |
157 |
1543 |
|
|
7 |
Au |
350 |
350 |
0.999 |
157 |
1544 |
|
|
8 |
B1g |
985 |
927 |
0.941 |
157 |
1545 |
|
|
9 |
B1u |
3225 |
3012 |
0.934 |
157 |
1546 |
|
|
10 |
B1u |
1519 |
1483 |
0.976 |
157 |
1547 |
|
|
11 |
B1u |
1174 |
1130 |
0.963 |
157 |
1548 |
|
|
12 |
B1u |
1024 |
1018 |
0.994 |
157 |
1549 |
|
|
13 |
B2g |
1061 |
983 |
0.927 |
157 |
1550 |
|
|
14 |
B2g |
815 |
756 |
0.928 |
157 |
1551 |
|
|
15 |
B2u |
3240 |
3069 |
0.947 |
157 |
1552 |
|
|
16 |
B2u |
1456 |
1411 |
0.969 |
157 |
1553 |
|
|
17 |
B2u |
1199 |
1149 |
0.959 |
157 |
1554 |
|
|
18 |
B2u |
1096 |
1063 |
0.970 |
157 |
1555 |
|
|
19 |
B3g |
3221 |
3040 |
0.944 |
157 |
1556 |
|
|
20 |
B3g |
1541 |
1525 |
0.990 |
157 |
1557 |
|
|
21 |
B3g |
1407 |
1346 |
0.957 |
157 |
1558 |
|
|
22 |
B3g |
736 |
704 |
0.957 |
157 |
1559 |
|
|
23 |
B3u |
840 |
785 |
0.935 |
157 |
1560 |
|
|
24 |
B3u |
453 |
418 |
0.922 |
157 |
1561 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3563 |
3675 |
1.031 |
158 |
1562 |
|
|
2 |
A |
3263 |
3102 |
0.951 |
158 |
1563 |
|
|
3 |
A |
3208 |
3022 |
0.942 |
158 |
1564 |
|
|
4 |
A |
3176 |
2995 |
0.943 |
158 |
1565 |
|
|
5 |
A |
3039 |
2934 |
0.965 |
158 |
1566 |
|
|
6 |
A |
2994 |
2866 |
0.957 |
158 |
1567 |
|
|
7 |
A |
1741 |
1654 |
0.950 |
158 |
1568 |
|
|
8 |
A |
1573 |
1453 |
0.924 |
158 |
1569 |
|
|
9 |
A |
1514 |
1414 |
0.934 |
158 |
1570 |
|
|
10 |
A |
1461 |
1384 |
0.947 |
158 |
1571 |
|
|
11 |
A |
1348 |
1320 |
0.979 |
158 |
1572 |
|
|
12 |
A |
1295 |
1293 |
0.998 |
158 |
1573 |
|
|
13 |
A |
1258 |
1191 |
0.947 |
158 |
1574 |
|
|
14 |
A |
1168 |
1132 |
0.969 |
158 |
1575 |
|
|
15 |
A |
1056 |
1110 |
1.052 |
158 |
1576 |
|
|
16 |
A |
1046 |
1038 |
0.992 |
158 |
1577 |
|
|
17 |
A |
1002 |
995 |
0.993 |
158 |
1578 |
|
|
18 |
A |
983 |
919 |
0.935 |
158 |
1579 |
|
|
19 |
A |
926 |
885 |
0.955 |
158 |
1580 |
|
|
20 |
A |
643 |
606 |
0.943 |
158 |
1581 |
|
|
22 |
A |
312 |
377 |
1.208 |
158 |
1582 |
|
|
23 |
A |
283 |
277 |
0.980 |
158 |
1583 |
|
|
24 |
A |
103 |
188 |
1.824 |
158 |
1584 |
CH3CH2CHO |
Propanal |
1 |
A' |
3170 |
2981 |
0.940 |
159 |
1585 |
|
|
2 |
A' |
3093 |
2904 |
0.939 |
159 |
1586 |
|
|
3 |
A' |
3058 |
2895 |
0.947 |
159 |
1587 |
|
|
4 |
A' |
2942 |
2809 |
0.955 |
159 |
1588 |
|
|
5 |
A' |
1769 |
1743 |
0.985 |
159 |
1589 |
|
|
6 |
A' |
1565 |
1460 |
0.933 |
159 |
1590 |
|
|
7 |
A' |
1505 |
1416 |
0.941 |
159 |
1591 |
|
|
8 |
A' |
1474 |
1390 |
0.943 |
159 |
1592 |
|
|
9 |
A' |
1448 |
1376 |
0.951 |
159 |
1593 |
|
|
10 |
A' |
1373 |
1335 |
0.972 |
159 |
1594 |
|
|
11 |
A' |
1131 |
1093 |
0.966 |
159 |
1595 |
|
|
12 |
A' |
1036 |
993 |
0.959 |
159 |
1596 |
|
|
13 |
A' |
868 |
848 |
0.977 |
159 |
1597 |
|
|
14 |
A' |
692 |
668 |
0.965 |
159 |
1598 |
|
|
15 |
A' |
271 |
271 |
0.998 |
159 |
1599 |
|
|
16 |
A" |
3169 |
2992 |
0.944 |
159 |
1600 |
|
|
17 |
A" |
3089 |
2942 |
0.952 |
159 |
1601 |
|
|
18 |
A" |
1566 |
1451 |
0.927 |
159 |
1602 |
|
|
19 |
A" |
1324 |
1250 |
0.944 |
159 |
1603 |
|
|
20 |
A" |
1177 |
1118 |
0.950 |
159 |
1604 |
|
|
21 |
A" |
944 |
892 |
0.945 |
159 |
1605 |
|
|
22 |
A" |
703 |
660 |
0.938 |
159 |
1606 |
|
|
23 |
A" |
241 |
220 |
0.914 |
159 |
1607 |
|
|
24 |
A" |
124 |
135 |
1.093 |
159 |
1608 |
C3H6O |
Oxetane |
1 |
A1 |
3135 |
2959 |
0.944 |
160 |
1609 |
|
|
2 |
A1 |
3099 |
2930 |
0.945 |
160 |
1610 |
|
|
3 |
A1 |
1599 |
1473 |
0.921 |
160 |
1611 |
|
|
4 |
A1 |
1532 |
1461 |
0.954 |
160 |
1612 |
|
|
5 |
A1 |
1375 |
1342 |
0.976 |
160 |
1613 |
|
|
6 |
A1 |
1026 |
1134 |
1.106 |
160 |
1614 |
|
|
7 |
A1 |
886 |
1018 |
1.150 |
160 |
1615 |
|
|
8 |
A1 |
812 |
908 |
1.119 |
160 |
1616 |
|
|
9 |
A2 |
3146 |
3000 |
0.953 |
160 |
1617 |
|
|
10 |
A2 |
1279 |
1283 |
1.003 |
160 |
1618 |
|
|
11 |
A2 |
1143 |
1185 |
1.037 |
160 |
1619 |
|
|
12 |
A2 |
881 |
986 |
1.119 |
160 |
1620 |
|
|
13 |
B1 |
3199 |
3007 |
0.940 |
160 |
1621 |
|
|
14 |
B1 |
3146 |
2940 |
0.935 |
160 |
1622 |
|
|
15 |
B1 |
1219 |
1225 |
1.005 |
160 |
1623 |
|
|
16 |
B1 |
1105 |
1142 |
1.034 |
160 |
1624 |
|
|
17 |
B1 |
770 |
836 |
1.086 |
160 |
1625 |
|
|
18 |
B1 |
91 |
90 |
0.982 |
160 |
1626 |
|
|
19 |
B2 |
3089 |
2966 |
0.960 |
160 |
1627 |
|
|
20 |
B2 |
1568 |
1508 |
0.962 |
160 |
1628 |
|
|
21 |
B2 |
1317 |
1458 |
1.107 |
160 |
1629 |
|
|
22 |
B2 |
1289 |
1363 |
1.058 |
160 |
1630 |
|
|
23 |
B2 |
1003 |
1228 |
1.224 |
160 |
1631 |
|
|
24 |
B2 |
939 |
936 |
0.997 |
160 |
1632 |
C3H6S |
Thietane |
1 |
A' |
3195 |
2994 |
0.937 |
161 |
1633 |
|
|
2 |
A' |
3168 |
2972 |
0.938 |
161 |
1634 |
|
|
3 |
A' |
3123 |
2946 |
0.943 |
161 |
1635 |
|
|
4 |
A' |
3116 |
2903 |
0.932 |
161 |
1636 |
|
|
5 |
A' |
1554 |
1470 |
0.946 |
161 |
1637 |
|
|
6 |
A' |
1530 |
1452 |
0.949 |
161 |
1638 |
|
|
7 |
A' |
1288 |
1224 |
0.951 |
161 |
1639 |
|
|
8 |
A' |
1235 |
1183 |
0.958 |
161 |
1640 |
|
|
9 |
A' |
995 |
975 |
0.980 |
161 |
1641 |
|
|
10 |
A' |
940 |
933 |
0.993 |
161 |
1642 |
|
|
11 |
A' |
856 |
845 |
0.987 |
161 |
1643 |
|
|
12 |
A' |
723 |
700 |
0.969 |
161 |
1644 |
|
|
13 |
A' |
551 |
529 |
0.959 |
161 |
1645 |
|
|
14 |
A' |
116 |
|
|
161 |
1646 |
|
|
15 |
A" |
3184 |
2994 |
0.940 |
161 |
1647 |
|
|
16 |
A" |
3119 |
2950 |
0.946 |
161 |
1648 |
|
|
17 |
A" |
1532 |
1454 |
0.949 |
161 |
1649 |
|
|
18 |
A" |
1342 |
1281 |
0.954 |
161 |
1650 |
|
|
19 |
A" |
1296 |
1229 |
0.948 |
161 |
1651 |
|
|
20 |
A" |
1231 |
1165 |
0.947 |
161 |
1652 |
|
|
21 |
A" |
1088 |
1011 |
0.929 |
161 |
1653 |
|
|
22 |
A" |
987 |
986 |
0.999 |
161 |
1654 |
|
|
23 |
A" |
832 |
823 |
0.989 |
161 |
1655 |
|
|
24 |
A" |
685 |
677 |
0.988 |
161 |
1656 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3184 |
2990 |
0.939 |
162 |
1657 |
|
|
2 |
A |
3165 |
2983 |
0.942 |
162 |
1658 |
|
|
3 |
A |
3079 |
2913 |
0.946 |
162 |
1659 |
|
|
4 |
A |
1541 |
1426 |
0.925 |
162 |
1660 |
|
|
5 |
A |
1535 |
1419 |
0.924 |
162 |
1661 |
|
|
6 |
A |
1421 |
1311 |
0.923 |
162 |
1662 |
|
|
7 |
A |
1020 |
955 |
0.936 |
162 |
1663 |
|
|
8 |
A |
1017 |
949 |
0.933 |
162 |
1664 |
|
|
9 |
A |
700 |
694 |
0.991 |
162 |
1665 |
|
|
10 |
A |
514 |
509 |
0.990 |
162 |
1666 |
|
|
11 |
A |
238 |
240 |
1.009 |
162 |
1667 |
|
|
12 |
A |
146 |
134 |
0.920 |
162 |
1668 |
|
|
13 |
A |
107 |
117 |
1.090 |
162 |
1669 |
|
|
14 |
B |
3183 |
2990 |
0.939 |
162 |
1670 |
|
|
15 |
B |
3165 |
2983 |
0.943 |
162 |
1671 |
|
|
16 |
B |
3077 |
2915 |
0.947 |
162 |
1672 |
|
|
17 |
B |
1546 |
1430 |
0.925 |
162 |
1673 |
|
|
18 |
B |
1529 |
1415 |
0.925 |
162 |
1674 |
|
|
19 |
B |
1414 |
1303 |
0.921 |
162 |
1675 |
|
|
20 |
B |
1025 |
955 |
0.932 |
162 |
1676 |
|
|
21 |
B |
1010 |
949 |
0.940 |
162 |
1677 |
|
|
22 |
B |
698 |
691 |
0.990 |
162 |
1678 |
|
|
23 |
B |
271 |
274 |
1.013 |
162 |
1679 |
|
|
24 |
B |
160 |
134 |
0.837 |
162 |
1680 |
C3H8 |
Propane |
1 |
A1 |
3143 |
2977 |
0.947 |
163 |
1681 |
|
|
2 |
A1 |
3072 |
2962 |
0.964 |
163 |
1682 |
|
|
3 |
A1 |
3066 |
2887 |
0.942 |
163 |
1683 |
|
|
4 |
A1 |
1577 |
1476 |
0.936 |
163 |
1684 |
|
|
5 |
A1 |
1555 |
1462 |
0.940 |
163 |
1685 |
|
|
6 |
A1 |
1471 |
1392 |
0.946 |
163 |
1686 |
|
|
7 |
A1 |
1212 |
1158 |
0.956 |
163 |
1687 |
|
|
8 |
A1 |
883 |
869 |
0.984 |
163 |
1688 |
|
|
9 |
A1 |
379 |
369 |
0.973 |
163 |
1689 |
|
|
10 |
A2 |
3133 |
2967 |
0.947 |
163 |
1690 |
|
|
11 |
A2 |
1558 |
1451 |
0.931 |
163 |
1691 |
|
|
12 |
A2 |
1363 |
1278 |
0.938 |
163 |
1692 |
|
|
13 |
A2 |
956 |
940 |
0.983 |
163 |
1693 |
|
|
14 |
A2 |
228 |
216 |
0.949 |
163 |
1694 |
|
|
15 |
B1 |
3148 |
2973 |
0.944 |
163 |
1695 |
|
|
16 |
B1 |
3101 |
2968 |
0.957 |
163 |
1696 |
|
|
17 |
B1 |
1577 |
1472 |
0.933 |
163 |
1697 |
|
|
18 |
B1 |
1249 |
1192 |
0.954 |
163 |
1698 |
|
|
19 |
B1 |
776 |
748 |
0.963 |
163 |
1699 |
|
|
20 |
B1 |
278 |
268 |
0.965 |
163 |
1700 |
|
|
21 |
B2 |
3140 |
2968 |
0.945 |
163 |
1701 |
|
|
22 |
B2 |
3063 |
2887 |
0.942 |
163 |
1702 |
|
|
23 |
B2 |
1564 |
1464 |
0.936 |
163 |
1703 |
|
|
24 |
B2 |
1453 |
1378 |
0.948 |
163 |
1704 |
|
|
25 |
B2 |
1398 |
1338 |
0.957 |
163 |
1705 |
|
|
26 |
B2 |
1070 |
1054 |
0.985 |
163 |
1706 |
|
|
27 |
B2 |
967 |
922 |
0.953 |
163 |
1707 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3292 |
3091 |
0.939 |
164 |
1708 |
|
|
2 |
A1 |
3263 |
3075 |
0.943 |
164 |
1709 |
|
|
3 |
A1 |
3072 |
2886 |
0.939 |
164 |
1710 |
|
|
4 |
A1 |
1570 |
1500 |
0.955 |
164 |
1711 |
|
|
5 |
A1 |
1463 |
1378 |
0.942 |
164 |
1712 |
|
|
6 |
A1 |
1412 |
1365 |
0.967 |
164 |
1713 |
|
|
7 |
A1 |
1165 |
1106 |
0.949 |
164 |
1714 |
|
|
8 |
A1 |
1011 |
994 |
0.983 |
164 |
1715 |
|
|
9 |
A1 |
921 |
915 |
0.994 |
164 |
1716 |
|
|
10 |
A1 |
849 |
802 |
0.945 |
164 |
1717 |
|
|
11 |
A2 |
1183 |
1100 |
0.930 |
164 |
1718 |
|
|
12 |
A2 |
988 |
941 |
0.952 |
164 |
1719 |
|
|
13 |
A2 |
742 |
700 |
0.943 |
164 |
1720 |
|
|
14 |
A2 |
539 |
516 |
0.957 |
164 |
1721 |
|
|
15 |
B1 |
3109 |
2900 |
0.933 |
164 |
1722 |
|
|
16 |
B1 |
985 |
925 |
0.939 |
164 |
1723 |
|
|
17 |
B1 |
931 |
891 |
0.957 |
164 |
1724 |
|
|
18 |
B1 |
696 |
664 |
0.954 |
164 |
1725 |
|
|
19 |
B1 |
349 |
350 |
1.002 |
164 |
1726 |
|
|
20 |
B2 |
3281 |
3105 |
0.946 |
164 |
1727 |
|
|
21 |
B2 |
3253 |
3043 |
0.935 |
164 |
1728 |
|
|
22 |
B2 |
1654 |
1580 |
0.955 |
164 |
1729 |
|
|
23 |
B2 |
1347 |
1292 |
0.959 |
164 |
1730 |
|
|
24 |
B2 |
1276 |
1239 |
0.971 |
164 |
1731 |
|
|
25 |
B2 |
1148 |
1090 |
0.949 |
164 |
1732 |
|
|
26 |
B2 |
988 |
959 |
0.971 |
164 |
1733 |
|
|
27 |
B2 |
848 |
805 |
0.950 |
164 |
1734 |
C5H5N |
Pyridine |
1 |
A1 |
3257 |
3094 |
0.950 |
165 |
1735 |
|
|
2 |
A1 |
3230 |
3073 |
0.951 |
165 |
1736 |
|
|
3 |
A1 |
3217 |
3030 |
0.942 |
165 |
1737 |
|
|
4 |
A1 |
1625 |
1584 |
0.975 |
165 |
1738 |
|
|
5 |
A1 |
1532 |
1483 |
0.968 |
165 |
1739 |
|
|
6 |
A1 |
1272 |
1218 |
0.957 |
165 |
1740 |
|
|
7 |
A1 |
1124 |
1072 |
0.954 |
165 |
1741 |
|
|
8 |
A1 |
1073 |
1032 |
0.961 |
165 |
1742 |
|
|
9 |
A1 |
1011 |
991 |
0.981 |
165 |
1743 |
|
|
10 |
A1 |
639 |
601 |
0.941 |
165 |
1744 |
|
|
11 |
A2 |
1057 |
980 |
0.927 |
165 |
1745 |
|
|
12 |
A2 |
936 |
880 |
0.940 |
165 |
1746 |
|
|
13 |
A2 |
395 |
373 |
0.943 |
165 |
1747 |
|
|
14 |
B1 |
1076 |
1007 |
0.935 |
165 |
1748 |
|
|
15 |
B1 |
999 |
937 |
0.937 |
165 |
1749 |
|
|
16 |
B1 |
799 |
744 |
0.931 |
165 |
1750 |
|
|
17 |
B1 |
747 |
700 |
0.937 |
165 |
1751 |
|
|
18 |
B1 |
436 |
403 |
0.925 |
165 |
1752 |
|
|
19 |
B2 |
3247 |
3087 |
0.951 |
165 |
1753 |
|
|
20 |
B2 |
3213 |
3042 |
0.947 |
165 |
1754 |
|
|
21 |
B2 |
1621 |
1581 |
0.975 |
165 |
1755 |
|
|
22 |
B2 |
1497 |
1442 |
0.963 |
165 |
1756 |
|
|
23 |
B2 |
1427 |
1362 |
0.955 |
165 |
1757 |
|
|
24 |
B2 |
1274 |
1227 |
0.963 |
165 |
1758 |
|
|
25 |
B2 |
1225 |
1143 |
0.934 |
165 |
1759 |
|
|
26 |
B2 |
1093 |
1079 |
0.987 |
165 |
1760 |
|
|
27 |
B2 |
694 |
652 |
0.939 |
165 |
1761 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3224 |
3058 |
0.949 |
166 |
1762 |
|
|
2 |
A' |
3169 |
2995 |
0.945 |
166 |
1763 |
|
|
3 |
A' |
3148 |
2963 |
0.941 |
166 |
1764 |
|
|
4 |
A' |
3062 |
2938 |
0.960 |
166 |
1765 |
|
|
5 |
A' |
2913 |
2805 |
0.963 |
166 |
1766 |
|
|
6 |
A' |
1746 |
1720 |
0.985 |
166 |
1767 |
|
|
7 |
A' |
1729 |
1649 |
0.953 |
166 |
1768 |
|
|
8 |
A' |
1548 |
1455 |
0.940 |
166 |
1769 |
|
|
9 |
A' |
1466 |
1391 |
0.949 |
166 |
1770 |
|
|
10 |
A' |
1451 |
1375 |
0.947 |
166 |
1771 |
|
|
11 |
A' |
1367 |
1304 |
0.954 |
166 |
1772 |
|
|
12 |
A' |
1319 |
1253 |
0.950 |
166 |
1773 |
|
|
13 |
A' |
1175 |
1147 |
0.976 |
166 |
1774 |
|
|
14 |
A' |
1097 |
1074 |
0.979 |
166 |
1775 |
|
|
15 |
A' |
974 |
973 |
0.999 |
166 |
1776 |
|
|
16 |
A' |
541 |
539 |
0.996 |
166 |
1777 |
|
|
17 |
A' |
472 |
464 |
0.982 |
166 |
1778 |
|
|
18 |
A' |
210 |
230 |
1.093 |
166 |
1779 |
|
|
19 |
A" |
3114 |
2980 |
0.957 |
166 |
1780 |
|
|
20 |
A" |
1546 |
1455 |
0.941 |
166 |
1781 |
|
|
21 |
A" |
1113 |
1042 |
0.936 |
166 |
1782 |
|
|
22 |
A" |
1068 |
973 |
0.911 |
166 |
1783 |
|
|
23 |
A" |
1033 |
928 |
0.898 |
166 |
1784 |
|
|
24 |
A" |
827 |
780 |
0.943 |
166 |
1785 |
|
|
25 |
A" |
304 |
295 |
0.972 |
166 |
1786 |
|
|
26 |
A" |
198 |
173 |
0.875 |
166 |
1787 |
|
|
27 |
A" |
137 |
122 |
0.891 |
166 |
1788 |
C2H6O2S |
Dimethyl sulfone |
1 |
A1 |
3185 |
3018 |
0.947 |
167 |
1789 |
|
|
2 |
A1 |
3094 |
2936 |
0.949 |
167 |
1790 |
|
|
3 |
A1 |
1526 |
1451 |
0.951 |
167 |
1791 |
|
|
4 |
A1 |
1439 |
1337 |
0.929 |
167 |
1792 |
|
|
5 |
A1 |
1192 |
1121 |
0.940 |
167 |
1793 |
|
|
6 |
A1 |
1055 |
1013 |
0.960 |
167 |
1794 |
|
|
7 |
A1 |
703 |
703 |
1.000 |
167 |
1795 |
|
|
8 |
A1 |
497 |
496 |
0.998 |
167 |
1796 |
|
|
9 |
A1 |
291 |
294 |
1.009 |
167 |
1797 |
|
|
10 |
A2 |
3192 |
3024 |
0.947 |
167 |
1798 |
|
|
11 |
A2 |
1512 |
1405 |
0.929 |
167 |
1799 |
|
|
12 |
A2 |
982 |
937 |
0.954 |
167 |
1800 |
|
|
13 |
A2 |
282 |
326 |
1.156 |
167 |
1801 |
|
|
14 |
A2 |
197 |
|
|
167 |
1802 |
|
|
15 |
B1 |
3197 |
3025 |
0.946 |
167 |
1803 |
|
|
16 |
B1 |
1531 |
1428 |
0.933 |
167 |
1804 |
|
|
17 |
B1 |
1409 |
1269 |
0.901 |
167 |
1805 |
|
|
18 |
B1 |
1044 |
986 |
0.945 |
167 |
1806 |
|
|
19 |
B1 |
364 |
396 |
1.088 |
167 |
1807 |
|
|
20 |
B1 |
230 |
262 |
1.139 |
167 |
1808 |
|
|
21 |
B2 |
3184 |
3017 |
0.948 |
167 |
1809 |
|
|
22 |
B2 |
3092 |
2936 |
0.950 |
167 |
1810 |
|
|
23 |
B2 |
1514 |
1438 |
0.950 |
167 |
1811 |
|
|
24 |
B2 |
1424 |
1322 |
0.928 |
167 |
1812 |
|
|
25 |
B2 |
993 |
958 |
0.965 |
167 |
1813 |
|
|
26 |
B2 |
772 |
771 |
0.998 |
167 |
1814 |
|
|
27 |
B2 |
443 |
465 |
1.050 |
167 |
1815 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3179 |
3005 |
0.945 |
168 |
1816 |
|
|
2 |
A' |
3158 |
2955 |
0.936 |
168 |
1817 |
|
|
3 |
A' |
3136 |
2927 |
0.933 |
168 |
1818 |
|
|
4 |
A' |
3078 |
2878 |
0.935 |
168 |
1819 |
|
|
5 |
A' |
1572 |
1472 |
0.936 |
168 |
1820 |
|
|
6 |
A' |
1559 |
1454 |
0.933 |
168 |
1821 |
|
|
7 |
A' |
1474 |
1390 |
0.943 |
168 |
1822 |
|
|
8 |
A' |
1321 |
1270 |
0.961 |
168 |
1823 |
|
|
9 |
A' |
1222 |
1163 |
0.951 |
168 |
1824 |
|
|
10 |
A' |
1122 |
1065 |
0.949 |
168 |
1825 |
|
|
11 |
A' |
900 |
888 |
0.987 |
168 |
1826 |
|
|
12 |
A' |
620 |
633 |
1.020 |
168 |
1827 |
|
|
13 |
A' |
429 |
418 |
0.975 |
168 |
1828 |
|
|
14 |
A' |
346 |
336 |
0.970 |
168 |
1829 |
|
|
15 |
A' |
278 |
253 |
0.909 |
168 |
1830 |
|
|
16 |
A" |
3172 |
2997 |
0.945 |
168 |
1831 |
|
|
17 |
A" |
3150 |
2985 |
0.948 |
168 |
1832 |
|
|
18 |
A" |
3074 |
2947 |
0.959 |
168 |
1833 |
|
|
19 |
A" |
1551 |
1472 |
0.949 |
168 |
1834 |
|
|
20 |
A" |
1545 |
1454 |
0.941 |
168 |
1835 |
|
|
21 |
A" |
1457 |
1377 |
0.945 |
168 |
1836 |
|
|
22 |
A" |
1389 |
1334 |
0.960 |
168 |
1837 |
|
|
23 |
A" |
1162 |
1123 |
0.966 |
168 |
1838 |
|
|
24 |
A" |
994 |
972 |
0.978 |
168 |
1839 |
|
|
25 |
A" |
980 |
936 |
0.956 |
168 |
1840 |
|
|
26 |
A" |
331 |
317 |
0.958 |
168 |
1841 |
|
|
27 |
A" |
252 |
276 |
1.095 |
168 |
1842 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3212 |
3022 |
0.941 |
169 |
1843 |
|
|
2 |
A |
3180 |
3004 |
0.945 |
169 |
1844 |
|
|
3 |
A |
3171 |
2991 |
0.943 |
169 |
1845 |
|
|
4 |
A |
3154 |
2970 |
0.942 |
169 |
1846 |
|
|
5 |
A |
3139 |
2949 |
0.939 |
169 |
1847 |
|
|
6 |
A |
3088 |
2908 |
0.942 |
169 |
1848 |
|
|
7 |
A |
1561 |
1462 |
0.937 |
169 |
1849 |
|
|
8 |
A |
1555 |
1459 |
0.938 |
169 |
1850 |
|
|
9 |
A |
1530 |
1446 |
0.945 |
169 |
1851 |
|
|
10 |
A |
1468 |
1391 |
0.948 |
169 |
1852 |
|
|
11 |
A |
1406 |
1347 |
0.958 |
169 |
1853 |
|
|
12 |
A |
1350 |
1286 |
0.953 |
169 |
1854 |
|
|
13 |
A |
1303 |
1238 |
0.950 |
169 |
1855 |
|
|
14 |
A |
1258 |
1181 |
0.939 |
169 |
1856 |
|
|
15 |
A |
1163 |
1120 |
0.963 |
169 |
1857 |
|
|
16 |
A |
1115 |
1076 |
0.965 |
169 |
1858 |
|
|
17 |
A |
1063 |
1023 |
0.962 |
169 |
1859 |
|
|
18 |
A |
942 |
890 |
0.945 |
169 |
1860 |
|
|
19 |
A |
883 |
850 |
0.963 |
169 |
1861 |
|
|
20 |
A |
742 |
750 |
1.011 |
169 |
1862 |
|
|
21 |
A |
678 |
685 |
1.011 |
169 |
1863 |
|
|
22 |
A |
420 |
417 |
0.992 |
169 |
1864 |
|
|
23 |
A |
360 |
358 |
0.994 |
169 |
1865 |
|
|
24 |
A |
288 |
285 |
0.991 |
169 |
1866 |
|
|
25 |
A |
265 |
250 |
0.944 |
169 |
1867 |
|
|
26 |
A |
213 |
203 |
0.953 |
169 |
1868 |
|
|
27 |
A |
116 |
108 |
0.928 |
169 |
1869 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3175 |
2989 |
0.941 |
170 |
1870 |
|
|
2 |
A1 |
3157 |
2941 |
0.932 |
170 |
1871 |
|
|
3 |
A1 |
3059 |
2911 |
0.952 |
170 |
1872 |
|
|
4 |
A1 |
1755 |
1661 |
0.946 |
170 |
1873 |
|
|
5 |
A1 |
1565 |
1470 |
0.940 |
170 |
1874 |
|
|
6 |
A1 |
1496 |
1416 |
0.946 |
170 |
1875 |
|
|
7 |
A1 |
1467 |
1366 |
0.931 |
170 |
1876 |
|
|
8 |
A1 |
1123 |
1064 |
0.948 |
170 |
1877 |
|
|
9 |
A1 |
816 |
801 |
0.982 |
170 |
1878 |
|
|
10 |
A1 |
379 |
383 |
1.011 |
170 |
1879 |
|
|
11 |
A2 |
3110 |
2970 |
0.955 |
170 |
1880 |
|
|
12 |
A2 |
1539 |
1459 |
0.948 |
170 |
1881 |
|
|
13 |
A2 |
1062 |
1076 |
1.013 |
170 |
1882 |
|
|
14 |
A2 |
720 |
|
|
170 |
1883 |
|
|
15 |
A2 |
173 |
193 |
1.114 |
170 |
1884 |
|
|
16 |
B1 |
3114 |
2945 |
0.946 |
170 |
1885 |
|
|
17 |
B1 |
1560 |
1444 |
0.925 |
170 |
1886 |
|
|
18 |
B1 |
1148 |
1079 |
0.940 |
170 |
1887 |
|
|
19 |
B1 |
953 |
890 |
0.933 |
170 |
1888 |
|
|
20 |
B1 |
434 |
429 |
0.989 |
170 |
1889 |
|
|
21 |
B1 |
209 |
196 |
0.940 |
170 |
1890 |
|
|
22 |
B2 |
3258 |
3086 |
0.947 |
170 |
1891 |
|
|
23 |
B2 |
3154 |
2980 |
0.945 |
170 |
1892 |
|
|
24 |
B2 |
3054 |
2893 |
0.947 |
170 |
1893 |
|
|
25 |
B2 |
1549 |
1458 |
0.941 |
170 |
1894 |
|
|
26 |
B2 |
1453 |
1381 |
0.950 |
170 |
1895 |
|
|
27 |
B2 |
1322 |
1282 |
0.969 |
170 |
1896 |
|
|
28 |
B2 |
1019 |
1043 |
1.024 |
170 |
1897 |
|
|
29 |
B2 |
984 |
974 |
0.989 |
170 |
1898 |
|
|
30 |
B2 |
445 |
430 |
0.967 |
170 |
1899 |
C6H6 |
Benzene |
1 |
A1g |
3249 |
3062 |
0.942 |
171 |
1900 |
|
|
2 |
A1g |
1029 |
992 |
0.964 |
171 |
1901 |
|
|
3 |
A2g |
1436 |
1326 |
0.923 |
171 |
1902 |
|
|
4 |
A2u |
705 |
673 |
0.955 |
171 |
1903 |
|
|
5 |
B1u |
3210 |
3068 |
0.956 |
171 |
1904 |
|
|
6 |
B1u |
1067 |
1010 |
0.947 |
171 |
1905 |
|
|
7 |
B2g |
1061 |
995 |
0.938 |
171 |
1906 |
|
|
8 |
B2g |
759 |
703 |
0.926 |
171 |
1907 |
|
|
9 |
B2u |
1345 |
1310 |
0.974 |
171 |
1908 |
|
|
10 |
B2u |
1233 |
1150 |
0.933 |
171 |
1909 |
|
|
11 |
E1g |
888 |
849 |
0.956 |
171 |
1910 |
|
|
12 |
E1u |
3236 |
3063 |
0.947 |
171 |
1911 |
|
|
13 |
E1u |
1547 |
1486 |
0.961 |
171 |
1912 |
|
|
14 |
E1u |
1080 |
1038 |
0.961 |
171 |
1913 |
|
|
15 |
E2g |
3219 |
3047 |
0.947 |
171 |
1914 |
|
|
16 |
E2g |
1650 |
1596 |
0.967 |
171 |
1915 |
|
|
17 |
E2g |
1245 |
1178 |
0.946 |
171 |
1916 |
|
|
18 |
E2g |
648 |
606 |
0.935 |
171 |
1917 |
|
|
19 |
E2u |
1021 |
975 |
0.955 |
171 |
1918 |
|
|
20 |
E2u |
422 |
410 |
0.971 |
171 |
1919 |
C4H8 |
cyclobutane |
1 |
A1 |
3160 |
2951 |
0.934 |
172 |
1920 |
|
|
2 |
A1 |
3118 |
2862 |
0.918 |
172 |
1921 |
|
|
3 |
A1 |
1563 |
1468 |
0.939 |
172 |
1922 |
|
|
4 |
A1 |
1180 |
1153 |
0.977 |
172 |
1923 |
|
|
5 |
A1 |
1009 |
1004 |
0.995 |
172 |
1924 |
|
|
6 |
A1 |
190 |
199 |
1.048 |
172 |
1925 |
|
|
7 |
A2 |
1297 |
1260 |
0.971 |
172 |
1926 |
|
|
8 |
A2 |
1019 |
941 |
0.924 |
172 |
1927 |
|
|
9 |
B1 |
1291 |
1231 |
0.954 |
172 |
1928 |
|
|
10 |
B1 |
1187 |
1142 |
0.962 |
172 |
1929 |
|
|
11 |
B1 |
942 |
928 |
0.985 |
172 |
1930 |
|
|
12 |
B2 |
3193 |
2973 |
0.931 |
172 |
1931 |
|
|
13 |
B2 |
3110 |
2934 |
0.943 |
172 |
1932 |
|
|
14 |
B2 |
1535 |
1440 |
0.938 |
172 |
1933 |
|
|
15 |
B2 |
906 |
883 |
0.975 |
172 |
1934 |
|
|
16 |
B2 |
647 |
625 |
0.966 |
172 |
1935 |
|
|
17 |
E |
3174 |
2959 |
0.932 |
172 |
1936 |
|
|
18 |
E |
3111 |
2862 |
0.920 |
172 |
1937 |
|
|
19 |
E |
1528 |
1441 |
0.943 |
172 |
1938 |
|
|
20 |
E |
1316 |
1252 |
0.951 |
172 |
1939 |
|
|
21 |
E |
1269 |
1217 |
0.959 |
172 |
1940 |
|
|
22 |
E |
909 |
893 |
0.983 |
172 |
1941 |
|
|
23 |
E |
762 |
746 |
0.978 |
172 |
1942 |
C6H6 |
Fulvene |
1 |
A1 |
3301 |
3088 |
0.936 |
173 |
1943 |
|
|
2 |
A1 |
3273 |
3051 |
0.932 |
173 |
1944 |
|
|
3 |
A1 |
3183 |
3008 |
0.945 |
173 |
1945 |
|
|
4 |
A1 |
1733 |
1632 |
0.942 |
173 |
1946 |
|
|
5 |
A1 |
1551 |
1486 |
0.958 |
173 |
1947 |
|
|
6 |
A1 |
1503 |
1449 |
0.964 |
173 |
1948 |
|
|
7 |
A1 |
1390 |
1342 |
0.965 |
173 |
1949 |
|
|
8 |
A1 |
1142 |
1082 |
0.947 |
173 |
1950 |
|
|
9 |
A1 |
991 |
986 |
0.995 |
173 |
1951 |
|
|
10 |
A1 |
913 |
894 |
0.980 |
173 |
1952 |
|
|
11 |
A1 |
696 |
641 |
0.921 |
173 |
1953 |
|
|
12 |
A2 |
978 |
|
|
173 |
1954 |
|
|
13 |
A2 |
801 |
|
|
173 |
1955 |
|
|
14 |
A2 |
713 |
666 |
0.934 |
173 |
1956 |
|
|
15 |
A2 |
507 |
494 |
0.974 |
173 |
1957 |
|
|
16 |
B1 |
996 |
926 |
0.929 |
173 |
1958 |
|
|
17 |
B1 |
964 |
907 |
0.941 |
173 |
1959 |
|
|
18 |
B1 |
801 |
769 |
0.960 |
173 |
1960 |
|
|
19 |
B1 |
639 |
613 |
0.960 |
173 |
1961 |
|
|
20 |
B1 |
205 |
|
|
173 |
1962 |
|
|
21 |
B2 |
3290 |
|
|
173 |
1963 |
|
|
22 |
B2 |
3271 |
3104 |
0.949 |
173 |
1964 |
|
|
23 |
B2 |
3264 |
3075 |
0.942 |
173 |
1965 |
|
|
24 |
B2 |
1629 |
1550 |
0.951 |
173 |
1966 |
|
|
25 |
B2 |
1351 |
1314 |
0.973 |
173 |
1967 |
|
|
26 |
B2 |
1282 |
1232 |
0.961 |
173 |
1968 |
|
|
27 |
B2 |
1140 |
1077 |
0.945 |
173 |
1969 |
|
|
28 |
B2 |
986 |
952 |
0.966 |
173 |
1970 |
|
|
29 |
B2 |
833 |
795 |
0.954 |
173 |
1971 |
|
|
30 |
B2 |
353 |
350 |
0.992 |
173 |
1972 |
CH3CH2CH2CN |
Butanenitrile |
1 |
A' |
3154 |
2977 |
0.944 |
174 |
1973 |
|
|
2 |
A' |
3098 |
2895 |
0.935 |
174 |
1974 |
|
|
3 |
A' |
3078 |
2888 |
0.938 |
174 |
1975 |
|
|
4 |
A' |
3072 |
2883 |
0.939 |
174 |
1976 |
|
|
5 |
A' |
2374 |
2263 |
0.953 |
174 |
1977 |
|
|
6 |
A' |
1570 |
1472 |
0.938 |
174 |
1978 |
|
|
7 |
A' |
1554 |
1457 |
0.938 |
174 |
1979 |
|
|
8 |
A' |
1529 |
1438 |
0.940 |
174 |
1980 |
|
|
9 |
A' |
1470 |
1393 |
0.947 |
174 |
1981 |
|
|
10 |
A' |
1403 |
1346 |
0.959 |
174 |
1982 |
|
|
11 |
A' |
1353 |
1334 |
0.986 |
174 |
1983 |
|
|
12 |
A' |
1143 |
1100 |
0.962 |
174 |
1984 |
|
|
13 |
A' |
1053 |
1053 |
1.000 |
174 |
1985 |
|
|
14 |
A' |
977 |
920 |
0.941 |
174 |
1986 |
|
|
15 |
A' |
903 |
842 |
0.933 |
174 |
1987 |
|
|
16 |
A' |
583 |
551 |
0.945 |
174 |
1988 |
|
|
17 |
A' |
368 |
358 |
0.972 |
174 |
1989 |
|
|
18 |
A' |
186 |
|
|
174 |
1990 |
|
|
19 |
A" |
3159 |
2986 |
0.945 |
174 |
1991 |
|
|
20 |
A" |
3133 |
2964 |
0.946 |
174 |
1992 |
|
|
21 |
A" |
3115 |
2950 |
0.947 |
174 |
1993 |
|
|
22 |
A" |
1570 |
1469 |
0.936 |
174 |
1994 |
|
|
23 |
A" |
1375 |
1267 |
0.922 |
174 |
1995 |
|
|
24 |
A" |
1316 |
1234 |
0.938 |
174 |
1996 |
|
|
25 |
A" |
1177 |
1083 |
0.920 |
174 |
1997 |
|
|
26 |
A" |
916 |
871 |
0.951 |
174 |
1998 |
|
|
27 |
A" |
770 |
764 |
0.992 |
174 |
1999 |
|
|
28 |
A" |
466 |
370 |
0.793 |
174 |
2000 |
|
|
29 |
A" |
251 |
|
|
174 |
2001 |
|
|
30 |
A" |
105 |
|
|
174 |
2002 |
C3H6O3 |
1,3,5-Trioxane |
1 |
A1 |
3212 |
3020 |
0.940 |
175 |
2003 |
|
|
2 |
A1 |
2997 |
2855 |
0.953 |
175 |
2004 |
|
|
3 |
A1 |
1566 |
1477 |
0.943 |
175 |
2005 |
|
|
4 |
A1 |
1221 |
1168 |
0.957 |
175 |
2006 |
|
|
5 |
A1 |
964 |
970 |
1.006 |
175 |
2007 |
|
|
6 |
A1 |
719 |
749 |
1.042 |
175 |
2008 |
|
|
7 |
A1 |
444 |
476 |
1.073 |
175 |
2009 |
|
|
8 |
A2 |
1400 |
|
|
175 |
2010 |
|
|
9 |
A2 |
1247 |
1255 |
1.007 |
175 |
2011 |
|
|
10 |
A2 |
927 |
|
|
175 |
2012 |
|
|
11 |
E |
3206 |
3020 |
0.942 |
175 |
2013 |
|
|
12 |
E |
2980 |
2855 |
0.958 |
175 |
2014 |
|
|
13 |
E |
1546 |
1477 |
0.955 |
175 |
2015 |
|
|
14 |
E |
1453 |
1412 |
0.972 |
175 |
2016 |
|
|
15 |
E |
1330 |
1309 |
0.984 |
175 |
2017 |
|
|
16 |
E |
1148 |
1168 |
1.018 |
175 |
2018 |
|
|
17 |
E |
1060 |
1068 |
1.008 |
175 |
2019 |
|
|
18 |
E |
923 |
935 |
1.013 |
175 |
2020 |
|
|
19 |
E |
508 |
524 |
1.031 |
175 |
2021 |
|
|
20 |
E |
287 |
307 |
1.068 |
175 |
2022 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
1 |
A' |
3165 |
2991 |
0.945 |
176 |
2023 |
|
|
2 |
A' |
3155 |
2957 |
0.937 |
176 |
2024 |
|
|
3 |
A' |
3079 |
2920 |
0.948 |
176 |
2025 |
|
|
4 |
A' |
3074 |
2871 |
0.934 |
176 |
2026 |
|
|
5 |
A' |
3068 |
2830 |
0.923 |
176 |
2027 |
|
|
6 |
A' |
1571 |
1461 |
0.930 |
176 |
2028 |
|
|
7 |
A' |
1552 |
1435 |
0.925 |
176 |
2029 |
|
|
8 |
A' |
1542 |
1427 |
0.925 |
176 |
2030 |
|
|
9 |
A' |
1467 |
1377 |
0.938 |
176 |
2031 |
|
|
10 |
A' |
1428 |
1321 |
0.925 |
176 |
2032 |
|
|
11 |
A' |
1341 |
1262 |
0.941 |
176 |
2033 |
|
|
12 |
A' |
1121 |
1060 |
0.946 |
176 |
2034 |
|
|
13 |
A' |
1016 |
|
|
176 |
2035 |
|
|
14 |
A' |
999 |
968 |
0.969 |
176 |
2036 |
|
|
15 |
A' |
738 |
727 |
0.985 |
176 |
2037 |
|
|
16 |
A' |
692 |
654 |
0.945 |
176 |
2038 |
|
|
17 |
A' |
357 |
353 |
0.989 |
176 |
2039 |
|
|
18 |
A' |
197 |
227 |
1.151 |
176 |
2040 |
|
|
19 |
A" |
3163 |
2991 |
0.946 |
176 |
2041 |
|
|
20 |
A" |
3147 |
2957 |
0.940 |
176 |
2042 |
|
|
21 |
A" |
3120 |
2920 |
0.936 |
176 |
2043 |
|
|
22 |
A" |
1563 |
1449 |
0.927 |
176 |
2044 |
|
|
23 |
A" |
1541 |
1435 |
0.931 |
176 |
2045 |
|
|
24 |
A" |
1314 |
1239 |
0.943 |
176 |
2046 |
|
|
25 |
A" |
1091 |
|
|
176 |
2047 |
|
|
26 |
A" |
1015 |
954 |
0.940 |
176 |
2048 |
|
|
27 |
A" |
825 |
757 |
0.918 |
176 |
2049 |
|
|
28 |
A" |
244 |
|
|
176 |
2050 |
|
|
29 |
A" |
174 |
|
|
176 |
2051 |
|
|
30 |
A" |
77 |
|
|
176 |
2052 |
C5H6S |
Thiophene, 3-methyl- |
1 |
A' |
3303 |
3111 |
0.942 |
177 |
2053 |
|
|
2 |
A' |
3293 |
3104 |
0.943 |
177 |
2054 |
|
|
3 |
A' |
3259 |
3062 |
0.939 |
177 |
2055 |
|
|
4 |
A' |
3159 |
2971 |
0.941 |
177 |
2056 |
|
|
5 |
A' |
3070 |
2923 |
0.952 |
177 |
2057 |
|
|
6 |
A' |
1610 |
1543 |
0.959 |
177 |
2058 |
|
|
7 |
A' |
1554 |
1447 |
0.931 |
177 |
2059 |
|
|
8 |
A' |
1469 |
1407 |
0.958 |
177 |
2060 |
|
|
9 |
A' |
1462 |
1385 |
0.947 |
177 |
2061 |
|
|
10 |
A' |
1422 |
1373 |
0.966 |
177 |
2062 |
|
|
11 |
A' |
1299 |
1234 |
0.950 |
177 |
2063 |
|
|
12 |
A' |
1205 |
1154 |
0.957 |
177 |
2064 |
|
|
13 |
A' |
1144 |
1080 |
0.944 |
177 |
2065 |
|
|
14 |
A' |
1049 |
993 |
0.947 |
177 |
2066 |
|
|
15 |
A' |
968 |
931 |
0.962 |
177 |
2067 |
|
|
16 |
A' |
885 |
857 |
0.968 |
177 |
2068 |
|
|
17 |
A' |
850 |
830 |
0.977 |
177 |
2069 |
|
|
18 |
A' |
690 |
659 |
0.955 |
177 |
2070 |
|
|
19 |
A' |
563 |
542 |
0.963 |
177 |
2071 |
|
|
20 |
A' |
325 |
329 |
1.011 |
177 |
2072 |
|
|
21 |
A" |
3129 |
2945 |
0.941 |
177 |
2073 |
|
|
22 |
A" |
1556 |
1452 |
0.933 |
177 |
2074 |
|
|
23 |
A" |
1106 |
1036 |
0.937 |
177 |
2075 |
|
|
24 |
A" |
942 |
874 |
0.928 |
177 |
2076 |
|
|
25 |
A" |
819 |
762 |
0.931 |
177 |
2077 |
|
|
26 |
A" |
736 |
685 |
0.931 |
177 |
2078 |
|
|
27 |
A" |
622 |
594 |
0.954 |
177 |
2079 |
|
|
28 |
A" |
480 |
464 |
0.966 |
177 |
2080 |
|
|
29 |
A" |
238 |
238 |
1.002 |
177 |
2081 |
|
|
30 |
A" |
106 |
|
|
177 |
2082 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3267 |
3088 |
0.945 |
178 |
2083 |
|
|
2 |
A |
3200 |
3017 |
0.943 |
178 |
2084 |
|
|
3 |
A |
3179 |
3011 |
0.947 |
178 |
2085 |
|
|
4 |
A |
3176 |
2990 |
0.941 |
178 |
2086 |
|
|
5 |
A |
3161 |
2974 |
0.941 |
178 |
2087 |
|
|
6 |
A |
3143 |
2967 |
0.944 |
178 |
2088 |
|
|
7 |
A |
3081 |
2927 |
0.950 |
178 |
2089 |
|
|
8 |
A |
1731 |
1645 |
0.950 |
178 |
2090 |
|
|
9 |
A |
1558 |
1452 |
0.932 |
178 |
2091 |
|
|
10 |
A |
1552 |
1447 |
0.932 |
178 |
2092 |
|
|
11 |
A |
1510 |
1424 |
0.943 |
178 |
2093 |
|
|
12 |
A |
1463 |
1375 |
0.940 |
178 |
2094 |
|
|
13 |
A |
1365 |
1297 |
0.950 |
178 |
2095 |
|
|
14 |
A |
1361 |
1283 |
0.943 |
178 |
2096 |
|
|
15 |
A |
1291 |
1233 |
0.955 |
178 |
2097 |
|
|
16 |
A |
1222 |
1174 |
0.961 |
178 |
2098 |
|
|
17 |
A |
1126 |
1090 |
0.968 |
178 |
2099 |
|
|
18 |
A |
1076 |
1025 |
0.952 |
178 |
2100 |
|
|
19 |
A |
1051 |
988 |
0.940 |
178 |
2101 |
|
|
20 |
A |
1019 |
966 |
0.948 |
178 |
2102 |
|
|
21 |
A |
995 |
931 |
0.936 |
178 |
2103 |
|
|
22 |
A |
886 |
864 |
0.975 |
178 |
2104 |
|
|
23 |
A |
734 |
708 |
0.965 |
178 |
2105 |
|
|
24 |
A |
644 |
625 |
0.971 |
178 |
2106 |
|
|
25 |
A |
464 |
456 |
0.983 |
178 |
2107 |
|
|
26 |
A |
332 |
319 |
0.961 |
178 |
2108 |
|
|
27 |
A |
309 |
305 |
0.986 |
178 |
2109 |
|
|
28 |
A |
294 |
283 |
0.961 |
178 |
2110 |
|
|
29 |
A |
262 |
245 |
0.935 |
178 |
2111 |
|
|
30 |
A |
97 |
92 |
0.946 |
178 |
2112 |
C6H5Cl |
chlorobenzene |
1 |
A1 |
3261 |
3084 |
0.946 |
179 |
2113 |
|
|
2 |
A1 |
3246 |
3054 |
0.941 |
179 |
2114 |
|
|
3 |
A1 |
3225 |
3031 |
0.940 |
179 |
2115 |
|
|
4 |
A1 |
1640 |
1586 |
0.967 |
179 |
2116 |
|
|
5 |
A1 |
1544 |
1483 |
0.961 |
179 |
2117 |
|
|
6 |
A1 |
1245 |
1174 |
0.943 |
179 |
2118 |
|
|
7 |
A1 |
1132 |
1092 |
0.965 |
179 |
2119 |
|
|
8 |
A1 |
1071 |
1025 |
0.957 |
179 |
2120 |
|
|
9 |
A1 |
1046 |
1003 |
0.959 |
179 |
2121 |
|
|
10 |
A1 |
732 |
706 |
0.964 |
179 |
2122 |
|
|
11 |
A1 |
429 |
417 |
0.972 |
179 |
2123 |
|
|
12 |
A2 |
1021 |
961 |
0.941 |
179 |
2124 |
|
|
13 |
A2 |
875 |
832 |
0.951 |
179 |
2125 |
|
|
14 |
A2 |
429 |
403 |
0.940 |
179 |
2126 |
|
|
15 |
B1 |
1050 |
981 |
0.934 |
179 |
2127 |
|
|
16 |
B1 |
962 |
902 |
0.938 |
179 |
2128 |
|
|
17 |
B1 |
788 |
741 |
0.939 |
179 |
2129 |
|
|
18 |
B1 |
734 |
685 |
0.933 |
179 |
2130 |
|
|
19 |
B1 |
494 |
467 |
0.945 |
179 |
2131 |
|
|
20 |
B1 |
196 |
198 |
1.012 |
179 |
2132 |
|
|
21 |
B2 |
3256 |
3098 |
0.951 |
179 |
2133 |
|
|
22 |
B2 |
3234 |
3067 |
0.948 |
179 |
2134 |
|
|
23 |
B2 |
1639 |
1598 |
0.975 |
179 |
2135 |
|
|
24 |
B2 |
1510 |
1448 |
0.959 |
179 |
2136 |
|
|
25 |
B2 |
1390 |
1326 |
0.954 |
179 |
2137 |
|
|
26 |
B2 |
1338 |
1271 |
0.950 |
179 |
2138 |
|
|
27 |
B2 |
1237 |
1157 |
0.936 |
179 |
2139 |
|
|
28 |
B2 |
1121 |
1068 |
0.953 |
179 |
2140 |
|
|
29 |
B2 |
656 |
615 |
0.937 |
179 |
2141 |
|
|
30 |
B2 |
304 |
295 |
0.969 |
179 |
2142 |
C5H8 |
Cyclopentene |
1 |
A' |
3258 |
3066 |
0.941 |
180 |
2143 |
|
|
2 |
A' |
3165 |
2958 |
0.935 |
180 |
2144 |
|
|
3 |
A' |
3123 |
2916 |
0.934 |
180 |
2145 |
|
|
4 |
A' |
3102 |
2902 |
0.936 |
180 |
2146 |
|
|
5 |
A' |
3063 |
2852 |
0.931 |
180 |
2147 |
|
|
6 |
A' |
1702 |
1616 |
0.950 |
180 |
2148 |
|
|
7 |
A' |
1557 |
1467 |
0.942 |
180 |
2149 |
|
|
8 |
A' |
1533 |
1449 |
0.945 |
180 |
2150 |
|
|
9 |
A' |
1343 |
1302 |
0.970 |
180 |
2151 |
|
|
10 |
A' |
1278 |
1284 |
1.005 |
180 |
2152 |
|
|
11 |
A' |
1167 |
1213 |
1.039 |
180 |
2153 |
|
|
12 |
A' |
1086 |
1048 |
0.965 |
180 |
2154 |
|
|
13 |
A' |
982 |
964 |
0.982 |
180 |
2155 |
|
|
14 |
A' |
911 |
962 |
1.056 |
180 |
2156 |
|
|
15 |
A' |
837 |
904 |
1.080 |
180 |
2157 |
|
|
16 |
A' |
736 |
692 |
0.940 |
180 |
2158 |
|
|
17 |
A' |
625 |
603 |
0.965 |
180 |
2159 |
|
|
18 |
A' |
133 |
254 |
1.912 |
180 |
2160 |
|
|
19 |
A" |
3228 |
3039 |
0.941 |
180 |
2161 |
|
|
20 |
A" |
3117 |
2967 |
0.952 |
180 |
2162 |
|
|
21 |
A" |
3064 |
2927 |
0.955 |
180 |
2163 |
|
|
22 |
A" |
1539 |
1467 |
0.953 |
180 |
2164 |
|
|
23 |
A" |
1401 |
1432 |
1.022 |
180 |
2165 |
|
|
24 |
A" |
1362 |
1356 |
0.995 |
180 |
2166 |
|
|
25 |
A" |
1347 |
1302 |
0.967 |
180 |
2167 |
|
|
26 |
A" |
1247 |
1297 |
1.040 |
180 |
2168 |
|
|
27 |
A" |
1209 |
1207 |
0.998 |
180 |
2169 |
|
|
28 |
A" |
1055 |
1113 |
1.055 |
180 |
2170 |
|
|
29 |
A" |
1003 |
1082 |
1.078 |
180 |
2171 |
|
|
30 |
A" |
927 |
937 |
1.011 |
180 |
2172 |
|
|
31 |
A" |
902 |
800 |
0.887 |
180 |
2173 |
|
|
32 |
A" |
804 |
702 |
0.873 |
180 |
2174 |
|
|
33 |
A" |
391 |
387 |
0.989 |
180 |
2175 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3171 |
2987 |
0.942 |
181 |
2176 |
|
|
2 |
A1 |
3151 |
2941 |
0.933 |
181 |
2177 |
|
|
3 |
A1 |
3061 |
2916 |
0.953 |
181 |
2178 |
|
|
4 |
A1 |
2109 |
1996 |
0.946 |
181 |
2179 |
|
|
5 |
A1 |
1572 |
1470 |
0.935 |
181 |
2180 |
|
|
6 |
A1 |
1526 |
1438 |
0.943 |
181 |
2181 |
|
|
7 |
A1 |
1463 |
1369 |
0.936 |
181 |
2182 |
|
|
8 |
A1 |
1353 |
1286 |
0.950 |
181 |
2183 |
|
|
9 |
A1 |
1057 |
973 |
0.921 |
181 |
2184 |
|
|
10 |
A1 |
737 |
726 |
0.985 |
181 |
2185 |
|
|
11 |
A1 |
340 |
349 |
1.027 |
181 |
2186 |
|
|
12 |
A2 |
3115 |
2941 |
0.944 |
181 |
2187 |
|
|
13 |
A2 |
1543 |
1470 |
0.953 |
181 |
2188 |
|
|
14 |
A2 |
1044 |
985 |
0.944 |
181 |
2189 |
|
|
15 |
A2 |
633 |
617 |
0.975 |
181 |
2190 |
|
|
17 |
B1 |
3221 |
3051 |
0.947 |
181 |
2191 |
|
|
18 |
B1 |
3118 |
2941 |
0.943 |
181 |
2192 |
|
|
19 |
B1 |
1562 |
1470 |
0.941 |
181 |
2193 |
|
|
20 |
B1 |
1139 |
1068 |
0.937 |
181 |
2194 |
|
|
21 |
B1 |
1072 |
1004 |
0.936 |
181 |
2195 |
|
|
22 |
B1 |
445 |
443 |
0.995 |
181 |
2196 |
|
|
23 |
B1 |
259 |
187 |
0.721 |
181 |
2197 |
|
|
25 |
B2 |
3170 |
2941 |
0.928 |
181 |
2198 |
|
|
26 |
B2 |
3058 |
2916 |
0.954 |
181 |
2199 |
|
|
27 |
B2 |
1546 |
1470 |
0.951 |
181 |
2200 |
|
|
28 |
B2 |
1447 |
1369 |
0.946 |
181 |
2201 |
|
|
29 |
B2 |
1212 |
1191 |
0.983 |
181 |
2202 |
|
|
30 |
B2 |
996 |
968 |
0.972 |
181 |
2203 |
|
|
31 |
B2 |
925 |
848 |
0.917 |
181 |
2204 |
|
|
32 |
B2 |
613 |
554 |
0.904 |
181 |
2205 |
|
|
33 |
B2 |
184 |
187 |
1.018 |
181 |
2206 |
C5H8 |
Spiropentane |
1 |
A1 |
3183 |
3000 |
0.943 |
182 |
2207 |
|
|
2 |
A1 |
1531 |
1423 |
0.930 |
182 |
2208 |
|
|
3 |
A1 |
1104 |
1160 |
1.051 |
182 |
2209 |
|
|
4 |
A1 |
1038 |
1037 |
0.999 |
182 |
2210 |
|
|
5 |
A1 |
591 |
588 |
0.995 |
182 |
2211 |
|
|
6 |
A2 |
3263 |
3070 |
0.941 |
182 |
2212 |
|
|
7 |
A2 |
1188 |
1174 |
0.988 |
182 |
2213 |
|
|
8 |
A2 |
862 |
919 |
1.066 |
182 |
2214 |
|
|
9 |
B1 |
3263 |
3066 |
0.940 |
182 |
2215 |
|
|
10 |
B1 |
1200 |
1166 |
0.971 |
182 |
2216 |
|
|
11 |
B1 |
1048 |
888 |
0.848 |
182 |
2217 |
|
|
12 |
B1 |
301 |
300 |
0.998 |
182 |
2218 |
|
|
13 |
B2 |
3183 |
3000 |
0.943 |
182 |
2219 |
|
|
14 |
B2 |
1561 |
1521 |
0.974 |
182 |
2220 |
|
|
15 |
B2 |
1472 |
1415 |
0.961 |
182 |
2221 |
|
|
16 |
B2 |
1052 |
990 |
0.941 |
182 |
2222 |
|
|
17 |
B2 |
881 |
872 |
0.989 |
182 |
2223 |
|
|
18 |
E |
3278 |
3067 |
0.936 |
182 |
2224 |
|
|
19 |
E |
3178 |
2985 |
0.939 |
182 |
2225 |
|
|
20 |
E |
1506 |
1431 |
0.950 |
182 |
2226 |
|
|
21 |
E |
1213 |
1150 |
0.948 |
182 |
2227 |
|
|
22 |
E |
1119 |
1049 |
0.938 |
182 |
2228 |
|
|
23 |
E |
892 |
870 |
0.976 |
182 |
2229 |
|
|
24 |
E |
809 |
780 |
0.964 |
182 |
2230 |
|
|
25 |
E |
284 |
308 |
1.083 |
182 |
2231 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3098 |
2953 |
0.953 |
183 |
2232 |
|
|
2 |
A1 |
2962 |
2775 |
0.937 |
183 |
2233 |
|
|
3 |
A1 |
1572 |
1459 |
0.928 |
183 |
2234 |
|
|
4 |
A1 |
1523 |
1444 |
0.948 |
183 |
2235 |
|
|
5 |
A1 |
1222 |
1186 |
0.970 |
183 |
2236 |
|
|
6 |
A1 |
814 |
828 |
1.017 |
183 |
2237 |
|
|
7 |
A1 |
327 |
367 |
1.121 |
183 |
2238 |
|
|
8 |
A2 |
3141 |
2977 |
0.948 |
183 |
2239 |
|
|
9 |
A2 |
1562 |
1453 |
0.930 |
183 |
2240 |
|
|
10 |
A2 |
1083 |
1046 |
0.966 |
183 |
2241 |
|
|
11 |
A2 |
285 |
255 |
0.896 |
183 |
2242 |
|
|
12 |
E |
3146 |
2981 |
0.947 |
183 |
2243 |
|
|
13 |
E |
3094 |
2953 |
0.954 |
183 |
2244 |
|
|
14 |
E |
2948 |
2776 |
0.942 |
183 |
2245 |
|
|
15 |
E |
1583 |
1471 |
0.929 |
183 |
2246 |
|
|
16 |
E |
1549 |
1444 |
0.932 |
183 |
2247 |
|
|
17 |
E |
1484 |
1409 |
0.950 |
183 |
2248 |
|
|
18 |
E |
1314 |
1275 |
0.970 |
183 |
2249 |
|
|
19 |
E |
1147 |
1103 |
0.962 |
183 |
2250 |
|
|
20 |
E |
1067 |
1043 |
0.978 |
183 |
2251 |
|
|
21 |
E |
421 |
424 |
1.007 |
183 |
2252 |
|
|
22 |
E |
273 |
281 |
1.027 |
183 |
2253 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3156 |
2974 |
0.942 |
184 |
2254 |
|
|
2 |
A' |
3154 |
2953 |
0.936 |
184 |
2255 |
|
|
3 |
A' |
3124 |
2940 |
0.941 |
184 |
2256 |
|
|
4 |
A' |
3070 |
2876 |
0.937 |
184 |
2257 |
|
|
5 |
A' |
2891 |
2757 |
0.954 |
184 |
2258 |
|
|
6 |
A' |
1778 |
1752 |
0.986 |
184 |
2259 |
|
|
7 |
A' |
1576 |
1474 |
0.935 |
184 |
2260 |
|
|
8 |
A' |
1569 |
1449 |
0.923 |
184 |
2261 |
|
|
9 |
A' |
1473 |
1399 |
0.950 |
184 |
2262 |
|
|
10 |
A' |
1447 |
1381 |
0.955 |
184 |
2263 |
|
|
11 |
A' |
1340 |
1329 |
0.992 |
184 |
2264 |
|
|
12 |
A' |
1215 |
1182 |
0.973 |
184 |
2265 |
|
|
13 |
A' |
1200 |
1138 |
0.948 |
184 |
2266 |
|
|
14 |
A' |
931 |
922 |
0.990 |
184 |
2267 |
|
|
15 |
A' |
863 |
800 |
0.927 |
184 |
2268 |
|
|
16 |
A' |
546 |
632 |
1.158 |
184 |
2269 |
|
|
17 |
A' |
351 |
395 |
1.125 |
184 |
2270 |
|
|
18 |
A' |
343 |
272 |
0.792 |
184 |
2271 |
|
|
19 |
A' |
247 |
212 |
0.858 |
184 |
2272 |
|
|
20 |
A" |
3154 |
2990 |
0.948 |
184 |
2273 |
|
|
21 |
A" |
3141 |
2982 |
0.949 |
184 |
2274 |
|
|
22 |
A" |
3067 |
2885 |
0.941 |
184 |
2275 |
|
|
23 |
A" |
1556 |
1467 |
0.943 |
184 |
2276 |
|
|
24 |
A" |
1551 |
1452 |
0.936 |
184 |
2277 |
|
|
25 |
A" |
1452 |
1437 |
0.990 |
184 |
2278 |
|
|
26 |
A" |
1372 |
1290 |
0.940 |
184 |
2279 |
|
|
27 |
A" |
1157 |
1109 |
0.958 |
184 |
2280 |
|
|
28 |
A" |
1008 |
965 |
0.957 |
184 |
2281 |
|
|
29 |
A" |
996 |
942 |
0.946 |
184 |
2282 |
|
|
30 |
A" |
974 |
933 |
0.958 |
184 |
2283 |
|
|
31 |
A" |
347 |
351 |
1.010 |
184 |
2284 |
|
|
32 |
A" |
228 |
227 |
0.995 |
184 |
2285 |
|
|
33 |
A" |
79 |
75 |
0.944 |
184 |
2286 |
CH3CH(CH3)CH3 |
Isobutane |
1 |
A1 |
3143 |
2965 |
0.943 |
185 |
2287 |
|
|
2 |
A1 |
3068 |
2904 |
0.946 |
185 |
2288 |
|
|
3 |
A1 |
3063 |
2880 |
0.940 |
185 |
2289 |
|
|
4 |
A1 |
1579 |
1477 |
0.936 |
185 |
2290 |
|
|
5 |
A1 |
1474 |
1394 |
0.946 |
185 |
2291 |
|
|
6 |
A1 |
1248 |
1177 |
0.943 |
185 |
2292 |
|
|
7 |
A1 |
810 |
797 |
0.984 |
185 |
2293 |
|
|
8 |
A1 |
436 |
426 |
0.976 |
185 |
2294 |
|
|
9 |
A2 |
3135 |
|
|
185 |
2295 |
|
|
10 |
A2 |
1545 |
|
|
185 |
2296 |
|
|
11 |
A2 |
993 |
|
|
185 |
2297 |
|
|
12 |
A2 |
218 |
198 |
0.908 |
185 |
2298 |
|
|
13 |
E |
3140 |
2962 |
0.943 |
185 |
2299 |
|
|
14 |
E |
3131 |
2951 |
0.943 |
185 |
2300 |
|
|
15 |
E |
3058 |
2887 |
0.944 |
185 |
2301 |
|
|
16 |
E |
1572 |
1468 |
0.934 |
185 |
2302 |
|
|
17 |
E |
1553 |
1459 |
0.940 |
185 |
2303 |
|
|
18 |
E |
1447 |
1371 |
0.948 |
185 |
2304 |
|
|
19 |
E |
1389 |
1330 |
0.957 |
185 |
2305 |
|
|
20 |
E |
1223 |
1166 |
0.953 |
185 |
2306 |
|
|
21 |
E |
998 |
961 |
0.963 |
185 |
2307 |
|
|
22 |
E |
956 |
918 |
0.961 |
185 |
2308 |
|
|
23 |
E |
367 |
367 |
1.001 |
185 |
2309 |
|
|
24 |
E |
262 |
280 |
1.070 |
185 |
2310 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
435 |
1442 |
3.312 |
186 |
2311 |
|
|
|
Ag |
856 |
1151 |
1.345 |
186 |
2312 |
|
|
|
Au |
1338 |
1257 |
0.940 |
186 |
2313 |
|
|
|
Bg |
1568 |
1300 |
0.829 |
186 |
2314 |
|
|
|
Bu |
3065 |
2870 |
0.936 |
186 |
2315 |
|
|
|
Bu |
3070 |
1461 |
0.476 |
186 |
2316 |
|
|
|
Bu |
3143 |
964 |
0.307 |
186 |
2317 |
C6H8 |
(E)-hexa-1,3,5-triene |
1 |
Ag |
3272 |
3085 |
0.943 |
187 |
2318 |
|
|
2 |
Ag |
3185 |
3054 |
0.959 |
187 |
2319 |
|
|
3 |
Ag |
3180 |
3054 |
0.960 |
187 |
2320 |
|
|
4 |
Ag |
3169 |
2989 |
0.943 |
187 |
2321 |
|
|
5 |
Ag |
1715 |
1627 |
0.949 |
187 |
2322 |
|
|
6 |
Ag |
1668 |
1579 |
0.947 |
187 |
2323 |
|
|
7 |
Ag |
1490 |
1400 |
0.940 |
187 |
2324 |
|
|
8 |
Ag |
1383 |
1288 |
0.931 |
187 |
2325 |
|
|
9 |
Ag |
1355 |
1220 |
0.900 |
187 |
2326 |
|
|
10 |
Ag |
1250 |
1192 |
0.954 |
187 |
2327 |
|
|
11 |
Ag |
978 |
934 |
0.955 |
187 |
2328 |
|
|
12 |
Ag |
460 |
444 |
0.966 |
187 |
2329 |
|
|
13 |
Ag |
364 |
355 |
0.975 |
187 |
2330 |
|
|
14 |
Au |
1076 |
1013 |
0.942 |
187 |
2331 |
|
|
15 |
Au |
993 |
941 |
0.947 |
187 |
2332 |
|
|
16 |
Au |
961 |
901 |
0.937 |
187 |
2333 |
|
|
17 |
Au |
724 |
683 |
0.944 |
187 |
2334 |
|
|
18 |
Au |
255 |
|
|
187 |
2335 |
|
|
19 |
Au |
98 |
90 |
0.915 |
187 |
2336 |
|
|
20 |
Bg |
1047 |
988 |
0.943 |
187 |
2337 |
|
|
21 |
Bg |
972 |
928 |
0.955 |
187 |
2338 |
|
|
22 |
Bg |
927 |
872 |
0.941 |
187 |
2339 |
|
|
23 |
Bg |
622 |
|
|
187 |
2340 |
|
|
24 |
Bg |
221 |
217 |
0.983 |
187 |
2341 |
|
|
25 |
Bu |
3272 |
3099 |
0.947 |
187 |
2342 |
|
|
26 |
Bu |
3189 |
3045 |
0.955 |
187 |
2343 |
|
|
27 |
Bu |
3183 |
3019 |
0.949 |
187 |
2344 |
|
|
28 |
Bu |
3171 |
2953 |
0.931 |
187 |
2345 |
|
|
29 |
Bu |
1712 |
1629 |
0.951 |
187 |
2346 |
|
|
30 |
Bu |
1520 |
1432 |
0.942 |
187 |
2347 |
|
|
31 |
Bu |
1373 |
1295 |
0.943 |
187 |
2348 |
|
|
32 |
Bu |
1337 |
1255 |
0.939 |
187 |
2349 |
|
|
33 |
Bu |
1181 |
1186 |
1.004 |
187 |
2350 |
|
|
34 |
Bu |
1008 |
963 |
0.956 |
187 |
2351 |
|
|
35 |
Bu |
568 |
590 |
1.039 |
187 |
2352 |
|
|
36 |
Bu |
152 |
170 |
1.120 |
187 |
2353 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3445 |
3345 |
0.971 |
188 |
2354 |
|
|
2 |
A' |
3211 |
2975 |
0.927 |
188 |
2355 |
|
|
3 |
A' |
3173 |
2950 |
0.930 |
188 |
2356 |
|
|
4 |
A' |
3134 |
2918 |
0.931 |
188 |
2357 |
|
|
5 |
A' |
3112 |
2905 |
0.933 |
188 |
2358 |
|
|
6 |
A' |
3007 |
2887 |
0.960 |
188 |
2359 |
|
|
7 |
A' |
1719 |
1614 |
0.939 |
188 |
2360 |
|
|
8 |
A' |
1542 |
1467 |
0.952 |
188 |
2361 |
|
|
9 |
A' |
1514 |
1443 |
0.953 |
188 |
2362 |
|
|
10 |
A' |
1391 |
1390 |
0.999 |
188 |
2363 |
|
|
11 |
A' |
1301 |
1291 |
0.993 |
188 |
2364 |
|
|
12 |
A' |
1258 |
1237 |
0.983 |
188 |
2365 |
|
|
13 |
A' |
1157 |
1137 |
0.983 |
188 |
2366 |
|
|
14 |
A' |
1084 |
1120 |
1.034 |
188 |
2367 |
|
|
15 |
A' |
956 |
1050 |
1.099 |
188 |
2368 |
|
|
16 |
A' |
907 |
965 |
1.064 |
188 |
2369 |
|
|
17 |
A' |
873 |
788 |
0.903 |
188 |
2370 |
|
|
18 |
A' |
715 |
752 |
1.052 |
188 |
2371 |
|
|
19 |
A' |
654 |
606 |
0.927 |
188 |
2372 |
|
|
20 |
A' |
402 |
448 |
1.114 |
188 |
2373 |
|
|
21 |
A' |
190 |
174 |
0.915 |
188 |
2374 |
|
|
22 |
A" |
3548 |
3411 |
0.961 |
188 |
2375 |
|
|
23 |
A" |
3176 |
2970 |
0.935 |
188 |
2376 |
|
|
24 |
A" |
3106 |
2957 |
0.952 |
188 |
2377 |
|
|
25 |
A" |
1513 |
1452 |
0.960 |
188 |
2378 |
|
|
26 |
A" |
1356 |
1213 |
0.895 |
188 |
2379 |
|
|
27 |
A" |
1314 |
1185 |
0.901 |
188 |
2380 |
|
|
28 |
A" |
1291 |
1168 |
0.905 |
188 |
2381 |
|
|
29 |
A" |
1237 |
1036 |
0.838 |
188 |
2382 |
|
|
30 |
A" |
1173 |
|
|
188 |
2383 |
|
|
31 |
A" |
1076 |
925 |
0.860 |
188 |
2384 |
|
|
32 |
A" |
931 |
912 |
0.980 |
188 |
2385 |
|
|
33 |
A" |
916 |
883 |
0.964 |
188 |
2386 |
|
|
34 |
A" |
785 |
788 |
1.004 |
188 |
2387 |
|
|
35 |
A" |
396 |
354 |
0.894 |
188 |
2388 |
|
|
36 |
A" |
285 |
240 |
0.842 |
188 |
2389 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3151 |
2968 |
0.942 |
189 |
2390 |
|
|
2 |
Ag |
3044 |
2856 |
0.938 |
189 |
2391 |
|
|
3 |
Ag |
1542 |
1444 |
0.936 |
189 |
2392 |
|
|
4 |
Ag |
1439 |
1397 |
0.971 |
189 |
2393 |
|
|
5 |
Ag |
1335 |
1305 |
0.978 |
189 |
2394 |
|
|
6 |
Ag |
1146 |
1128 |
0.984 |
189 |
2395 |
|
|
7 |
Ag |
1020 |
1015 |
0.995 |
189 |
2396 |
|
|
8 |
Ag |
848 |
837 |
0.987 |
189 |
2397 |
|
|
9 |
Ag |
430 |
435 |
1.012 |
189 |
2398 |
|
|
10 |
Ag |
399 |
424 |
1.064 |
189 |
2399 |
|
|
11 |
Au |
3147 |
2970 |
0.944 |
189 |
2400 |
|
|
12 |
Au |
3039 |
2863 |
0.942 |
189 |
2401 |
|
|
13 |
Au |
1525 |
1449 |
0.950 |
189 |
2402 |
|
|
14 |
Au |
1402 |
1369 |
0.976 |
189 |
2403 |
|
|
15 |
Au |
1298 |
1256 |
0.967 |
189 |
2404 |
|
|
16 |
Au |
1126 |
1136 |
1.009 |
189 |
2405 |
|
|
17 |
Au |
1102 |
1086 |
0.985 |
189 |
2406 |
|
|
18 |
Au |
897 |
881 |
0.982 |
189 |
2407 |
|
|
19 |
Au |
231 |
288 |
1.244 |
189 |
2408 |
|
|
20 |
Bg |
3148 |
2968 |
0.943 |
189 |
2409 |
|
|
21 |
Bg |
3049 |
2856 |
0.937 |
189 |
2410 |
|
|
22 |
Bg |
1527 |
1459 |
0.956 |
189 |
2411 |
|
|
23 |
Bg |
1384 |
1335 |
0.965 |
189 |
2412 |
|
|
24 |
Bg |
1250 |
1217 |
0.974 |
189 |
2413 |
|
|
25 |
Bg |
1111 |
1110 |
0.999 |
189 |
2414 |
|
|
26 |
Bg |
879 |
853 |
0.970 |
189 |
2415 |
|
|
27 |
Bg |
467 |
490 |
1.049 |
189 |
2416 |
|
|
28 |
Bu |
3151 |
2970 |
0.943 |
189 |
2417 |
|
|
29 |
Bu |
3053 |
2863 |
0.938 |
189 |
2418 |
|
|
30 |
Bu |
1537 |
1457 |
0.948 |
189 |
2419 |
|
|
31 |
Bu |
1444 |
1378 |
0.954 |
189 |
2420 |
|
|
32 |
Bu |
1326 |
1291 |
0.974 |
189 |
2421 |
|
|
33 |
Bu |
1082 |
1052 |
0.972 |
189 |
2422 |
|
|
34 |
Bu |
857 |
889 |
1.037 |
189 |
2423 |
|
|
35 |
Bu |
589 |
610 |
1.036 |
189 |
2424 |
|
|
36 |
Bu |
269 |
274 |
1.020 |
189 |
2425 |
C6H5CHO |
benzaldehyde |
1 |
A' |
3250 |
3099 |
0.953 |
190 |
2426 |
|
|
2 |
A' |
3242 |
3081 |
0.950 |
190 |
2427 |
|
|
3 |
A' |
3232 |
3081 |
0.953 |
190 |
2428 |
|
|
4 |
A' |
3221 |
3043 |
0.945 |
190 |
2429 |
|
|
5 |
A' |
3207 |
3034 |
0.946 |
190 |
2430 |
|
|
6 |
A' |
2955 |
2806 |
0.950 |
190 |
2431 |
|
|
7 |
A' |
1745 |
1728 |
0.990 |
190 |
2432 |
|
|
8 |
A' |
1657 |
1614 |
0.974 |
190 |
2433 |
|
|
9 |
A' |
1639 |
1603 |
0.978 |
190 |
2434 |
|
|
10 |
A' |
1551 |
1492 |
0.962 |
190 |
2435 |
|
|
11 |
A' |
1519 |
1460 |
0.961 |
190 |
2436 |
|
|
12 |
A' |
1445 |
1387 |
0.960 |
190 |
2437 |
|
|
13 |
A' |
1382 |
1314 |
0.951 |
190 |
2438 |
|
|
14 |
A' |
1358 |
1276 |
0.940 |
190 |
2439 |
|
|
15 |
A' |
1258 |
1202 |
0.956 |
190 |
2440 |
|
|
16 |
A' |
1237 |
1168 |
0.944 |
190 |
2441 |
|
|
17 |
A' |
1226 |
1158 |
0.945 |
190 |
2442 |
|
|
18 |
A' |
1124 |
1074 |
0.955 |
190 |
2443 |
|
|
19 |
A' |
1066 |
1026 |
0.962 |
190 |
2444 |
|
|
20 |
A' |
1046 |
996 |
0.952 |
190 |
2445 |
|
|
21 |
A' |
857 |
825 |
0.963 |
190 |
2446 |
|
|
22 |
A' |
680 |
649 |
0.954 |
190 |
2447 |
|
|
23 |
A' |
657 |
617 |
0.939 |
190 |
2448 |
|
|
24 |
A' |
453 |
437 |
0.965 |
190 |
2449 |
|
|
25 |
A' |
220 |
224 |
1.018 |
190 |
2450 |
|
|
26 |
A" |
1087 |
1003 |
0.923 |
190 |
2451 |
|
|
27 |
A" |
1058 |
996 |
0.941 |
190 |
2452 |
|
|
28 |
A" |
1035 |
978 |
0.945 |
190 |
2453 |
|
|
29 |
A" |
973 |
918 |
0.944 |
190 |
2454 |
|
|
30 |
A" |
893 |
852 |
0.955 |
190 |
2455 |
|
|
31 |
A" |
790 |
740 |
0.937 |
190 |
2456 |
|
|
32 |
A" |
737 |
688 |
0.933 |
190 |
2457 |
|
|
33 |
A" |
484 |
450 |
0.930 |
190 |
2458 |
|
|
34 |
A" |
432 |
400 |
0.927 |
190 |
2459 |
|
|
35 |
A" |
258 |
217 |
0.840 |
190 |
2460 |
|
|
36 |
A" |
141 |
111 |
0.785 |
190 |
2461 |
C2H5SC2H5 |
Diethyl sulfide |
1 |
A1 |
3155 |
2967 |
0.941 |
191 |
2462 |
|
|
2 |
A1 |
3079 |
2874 |
0.933 |
191 |
2463 |
|
|
3 |
A1 |
3073 |
2853 |
0.928 |
191 |
2464 |
|
|
4 |
A1 |
1572 |
1450 |
0.923 |
191 |
2465 |
|
|
5 |
A1 |
1548 |
1427 |
0.922 |
191 |
2466 |
|
|
6 |
A1 |
1466 |
1380 |
0.941 |
191 |
2467 |
|
|
7 |
A1 |
1357 |
1270 |
0.936 |
191 |
2468 |
|
|
8 |
A1 |
1126 |
1047 |
0.930 |
191 |
2469 |
|
|
9 |
A1 |
1006 |
974 |
0.968 |
191 |
2470 |
|
|
10 |
A1 |
708 |
657 |
0.928 |
191 |
2471 |
|
|
11 |
A1 |
338 |
334 |
0.988 |
191 |
2472 |
|
|
12 |
A1 |
137 |
|
|
191 |
2473 |
|
|
13 |
A2 |
3163 |
2967 |
0.938 |
191 |
2474 |
|
|
14 |
A2 |
3122 |
2930 |
0.939 |
191 |
2475 |
|
|
15 |
A2 |
1564 |
|
|
191 |
2476 |
|
|
16 |
A2 |
1311 |
|
|
191 |
2477 |
|
|
17 |
A2 |
1077 |
|
|
191 |
2478 |
|
|
18 |
A2 |
815 |
|
|
191 |
2479 |
|
|
19 |
A2 |
247 |
|
|
191 |
2480 |
|
|
20 |
A2 |
84 |
|
|
191 |
2481 |
|
|
21 |
B1 |
3162 |
2967 |
0.938 |
191 |
2482 |
|
|
22 |
B1 |
3118 |
2930 |
0.940 |
191 |
2483 |
|
|
23 |
B1 |
1563 |
1450 |
0.928 |
191 |
2484 |
|
|
24 |
B1 |
1316 |
1242 |
0.944 |
191 |
2485 |
|
|
25 |
B1 |
1096 |
|
|
191 |
2486 |
|
|
26 |
B1 |
836 |
780 |
0.933 |
191 |
2487 |
|
|
27 |
B1 |
245 |
|
|
191 |
2488 |
|
|
28 |
B1 |
55 |
|
|
191 |
2489 |
|
|
29 |
B2 |
3155 |
2967 |
0.940 |
191 |
2490 |
|
|
30 |
B2 |
3079 |
2874 |
0.933 |
191 |
2491 |
|
|
31 |
B2 |
3074 |
2853 |
0.928 |
191 |
2492 |
|
|
32 |
B2 |
1571 |
1450 |
0.923 |
191 |
2493 |
|
|
33 |
B2 |
1540 |
1427 |
0.926 |
191 |
2494 |
|
|
34 |
B2 |
1466 |
1380 |
0.941 |
191 |
2495 |
|
|
35 |
B2 |
1319 |
1259 |
0.955 |
191 |
2496 |
|
|
36 |
B2 |
1077 |
1017 |
0.944 |
191 |
2497 |
|
|
37 |
B2 |
999 |
974 |
0.975 |
191 |
2498 |
|
|
38 |
B2 |
705 |
693 |
0.983 |
191 |
2499 |
|
|
39 |
B2 |
346 |
345 |
0.996 |
191 |
2500 |
CH3C(SCH3)HCH3 |
Propane, 2-(methylthio)- |
1 |
A |
3165 |
2971 |
0.939 |
192 |
2501 |
|
|
2 |
A |
3160 |
2971 |
0.940 |
192 |
2502 |
|
|
3 |
A |
3158 |
2971 |
0.941 |
192 |
2503 |
|
|
4 |
A |
3153 |
2971 |
0.942 |
192 |
2504 |
|
|
5 |
A |
3147 |
2971 |
0.944 |
192 |
2505 |
|
|
6 |
A |
3138 |
2971 |
0.947 |
192 |
2506 |
|
|
7 |
A |
3082 |
2918 |
0.947 |
192 |
2507 |
|
|
8 |
A |
3073 |
2899 |
0.944 |
192 |
2508 |
|
|
9 |
A |
3072 |
2867 |
0.933 |
192 |
2509 |
|
|
10 |
A |
3067 |
2867 |
0.935 |
192 |
2510 |
|
|
11 |
A |
1574 |
1448 |
0.920 |
192 |
2511 |
|
|
12 |
A |
1566 |
1448 |
0.924 |
192 |
2512 |
|
|
13 |
A |
1556 |
1448 |
0.930 |
192 |
2513 |
|
|
14 |
A |
1554 |
1448 |
0.932 |
192 |
2514 |
|
|
15 |
A |
1547 |
1448 |
0.936 |
192 |
2515 |
|
|
16 |
A |
1539 |
1448 |
0.941 |
192 |
2516 |
|
|
17 |
A |
1470 |
1386 |
0.943 |
192 |
2517 |
|
|
18 |
A |
1453 |
1364 |
0.939 |
192 |
2518 |
|
|
19 |
A |
1424 |
1339 |
0.940 |
192 |
2519 |
|
|
20 |
A |
1375 |
1315 |
0.957 |
192 |
2520 |
|
|
21 |
A |
1318 |
1244 |
0.944 |
192 |
2521 |
|
|
22 |
A |
1217 |
1154 |
0.949 |
192 |
2522 |
|
|
23 |
A |
1150 |
1110 |
0.966 |
192 |
2523 |
|
|
24 |
A |
1118 |
1058 |
0.946 |
192 |
2524 |
|
|
25 |
A |
1019 |
|
|
192 |
2525 |
|
|
26 |
A |
1011 |
954 |
0.943 |
192 |
2526 |
|
|
27 |
A |
995 |
|
|
192 |
2527 |
|
|
28 |
A |
974 |
924 |
0.948 |
192 |
2528 |
|
|
29 |
A |
897 |
882 |
0.983 |
192 |
2529 |
|
|
30 |
A |
734 |
724 |
0.986 |
192 |
2530 |
|
|
31 |
A |
653 |
632 |
0.968 |
192 |
2531 |
|
|
32 |
A |
431 |
427 |
0.991 |
192 |
2532 |
|
|
33 |
A |
355 |
336 |
0.946 |
192 |
2533 |
|
|
34 |
A |
337 |
|
|
192 |
2534 |
|
|
35 |
A |
260 |
|
|
192 |
2535 |
|
|
36 |
A |
236 |
|
|
192 |
2536 |
|
|
37 |
A |
209 |
215 |
1.028 |
192 |
2537 |
|
|
38 |
A |
160 |
|
|
192 |
2538 |
|
|
39 |
A |
73 |
|
|
192 |
2539 |
C8H8 |
cubane |
1 |
A1g |
3225 |
2995 |
0.929 |
193 |
2540 |
|
|
2 |
A1g |
1029 |
1002 |
0.974 |
193 |
2541 |
|
|
3 |
A2u |
3180 |
2978 |
0.937 |
193 |
2542 |
|
|
4 |
A2u |
1104 |
839 |
0.760 |
193 |
2543 |
|
|
5 |
Eg |
1140 |
1083 |
0.950 |
193 |
2544 |
|
|
6 |
Eg |
951 |
912 |
0.959 |
193 |
2545 |
|
|
7 |
Eu |
1246 |
1151 |
0.924 |
193 |
2546 |
|
|
8 |
Eu |
655 |
617 |
0.942 |
193 |
2547 |
|
|
9 |
T1g |
1205 |
1130 |
0.938 |
193 |
2548 |
|
|
10 |
T1u |
3201 |
2978 |
0.930 |
193 |
2549 |
|
|
11 |
T1u |
1275 |
1230 |
0.965 |
193 |
2550 |
|
|
12 |
T1u |
892 |
853 |
0.956 |
193 |
2551 |
|
|
13 |
T2g |
3190 |
2970 |
0.931 |
193 |
2552 |
|
|
14 |
T2g |
1243 |
1182 |
0.951 |
193 |
2553 |
|
|
15 |
T2g |
865 |
821 |
0.949 |
193 |
2554 |
|
|
16 |
T2g |
725 |
665 |
0.917 |
193 |
2555 |
|
|
17 |
T2u |
1101 |
1036 |
0.941 |
193 |
2556 |
|
|
18 |
T2u |
873 |
829 |
0.949 |
193 |
2557 |
C5H12 |
Pentane |
1 |
A1 |
3143 |
2973 |
0.946 |
194 |
2558 |
|
|
2 |
A1 |
3071 |
2892 |
0.942 |
194 |
2559 |
|
|
3 |
A1 |
3067 |
2866 |
0.934 |
194 |
2560 |
|
|
4 |
A1 |
3053 |
2866 |
0.939 |
194 |
2561 |
|
|
5 |
A1 |
1574 |
1480 |
0.940 |
194 |
2562 |
|
|
6 |
A1 |
1560 |
1463 |
0.938 |
194 |
2563 |
|
|
7 |
A1 |
1545 |
1450 |
0.938 |
194 |
2564 |
|
|
8 |
A1 |
1462 |
1379 |
0.943 |
194 |
2565 |
|
|
9 |
A1 |
1401 |
1346 |
0.961 |
194 |
2566 |
|
|
10 |
A1 |
1190 |
1144 |
0.962 |
194 |
2567 |
|
|
11 |
A1 |
1051 |
1036 |
0.986 |
194 |
2568 |
|
|
12 |
A1 |
893 |
867 |
0.970 |
194 |
2569 |
|
|
13 |
A1 |
405 |
401 |
0.989 |
194 |
2570 |
|
|
14 |
A1 |
181 |
179 |
0.989 |
194 |
2571 |
|
|
15 |
A2 |
3143 |
2967 |
0.944 |
194 |
2572 |
|
|
16 |
A2 |
3100 |
2908 |
0.938 |
194 |
2573 |
|
|
17 |
A2 |
1569 |
1462 |
0.932 |
194 |
2574 |
|
|
18 |
A2 |
1379 |
1346 |
0.976 |
194 |
2575 |
|
|
19 |
A2 |
1312 |
1269 |
0.967 |
194 |
2576 |
|
|
20 |
A2 |
1044 |
993 |
0.951 |
194 |
2577 |
|
|
21 |
A2 |
793 |
766 |
0.967 |
194 |
2578 |
|
|
22 |
A2 |
253 |
210 |
0.831 |
194 |
2579 |
|
|
23 |
A2 |
117 |
131 |
1.120 |
194 |
2580 |
|
|
24 |
B1 |
3146 |
2965 |
0.942 |
194 |
2581 |
|
|
25 |
B1 |
3118 |
2930 |
0.940 |
194 |
2582 |
|
|
26 |
B1 |
3082 |
2930 |
0.951 |
194 |
2583 |
|
|
27 |
B1 |
1568 |
1469 |
0.937 |
194 |
2584 |
|
|
28 |
B1 |
1375 |
1303 |
0.947 |
194 |
2585 |
|
|
29 |
B1 |
1239 |
1170 |
0.944 |
194 |
2586 |
|
|
30 |
B1 |
906 |
858 |
0.947 |
194 |
2587 |
|
|
31 |
B1 |
752 |
727 |
0.966 |
194 |
2588 |
|
|
32 |
B1 |
245 |
215 |
0.878 |
194 |
2589 |
|
|
33 |
B1 |
120 |
88 |
0.735 |
194 |
2590 |
|
|
34 |
B2 |
3143 |
2965 |
0.943 |
194 |
2591 |
|
|
35 |
B2 |
3067 |
2879 |
0.939 |
194 |
2592 |
|
|
36 |
B2 |
3064 |
2866 |
0.936 |
194 |
2593 |
|
|
37 |
B2 |
1570 |
1476 |
0.940 |
194 |
2594 |
|
|
38 |
B2 |
1549 |
1456 |
0.940 |
194 |
2595 |
|
|
39 |
B2 |
1464 |
1389 |
0.949 |
194 |
2596 |
|
|
40 |
B2 |
1409 |
1379 |
0.979 |
194 |
2597 |
|
|
41 |
B2 |
1339 |
1269 |
0.948 |
194 |
2598 |
|
|
42 |
B2 |
1097 |
1073 |
0.978 |
194 |
2599 |
|
|
43 |
B2 |
1058 |
1024 |
0.968 |
194 |
2600 |
|
|
44 |
B2 |
940 |
910 |
0.968 |
194 |
2601 |
|
|
45 |
B2 |
406 |
406 |
0.999 |
194 |
2602 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3065 |
2909 |
0.949 |
195 |
2603 |
|
|
2 |
A1 |
1483 |
1381 |
0.931 |
195 |
2604 |
|
|
3 |
A1 |
739 |
733 |
0.992 |
195 |
2605 |
|
|
4 |
A2 |
276 |
198 |
0.717 |
195 |
2606 |
|
|
5 |
E |
3136 |
2955 |
0.942 |
195 |
2607 |
|
|
6 |
E |
1559 |
1451 |
0.931 |
195 |
2608 |
|
|
7 |
E |
1134 |
999 |
0.881 |
195 |
2609 |
|
|
8 |
E |
347 |
335 |
0.965 |
195 |
2610 |
|
|
9 |
T1 |
3135 |
2975 |
0.949 |
195 |
2611 |
|
|
10 |
T1 |
1551 |
1461 |
0.942 |
195 |
2612 |
|
|
11 |
T1 |
1008 |
932 |
0.925 |
195 |
2613 |
|
|
12 |
T1 |
334 |
203 |
0.608 |
195 |
2614 |
|
|
13 |
T2 |
3140 |
2959 |
0.942 |
195 |
2615 |
|
|
14 |
T2 |
3058 |
2876 |
0.940 |
195 |
2616 |
|
|
15 |
T2 |
1588 |
1475 |
0.929 |
195 |
2617 |
|
|
16 |
T2 |
1449 |
1372 |
0.947 |
195 |
2618 |
|
|
17 |
T2 |
1315 |
1256 |
0.955 |
195 |
2619 |
|
|
18 |
T2 |
962 |
925 |
0.961 |
195 |
2620 |
|
|
19 |
T2 |
425 |
418 |
0.983 |
195 |
2621 |
C5H11N |
Piperidine |
1 |
A' |
3487 |
3341 |
0.958 |
196 |
2622 |
|
|
2 |
A' |
3140 |
2947 |
0.938 |
196 |
2623 |
|
|
3 |
A' |
3115 |
2931 |
0.941 |
196 |
2624 |
|
|
4 |
A' |
3110 |
2917 |
0.938 |
196 |
2625 |
|
|
5 |
A' |
3079 |
2892 |
0.939 |
196 |
2626 |
|
|
6 |
A' |
3057 |
2850 |
0.932 |
196 |
2627 |
|
|
7 |
A' |
2944 |
2730 |
0.927 |
196 |
2628 |
|
|
8 |
A' |
1557 |
1476 |
0.948 |
196 |
2629 |
|
|
9 |
A' |
1541 |
1452 |
0.942 |
196 |
2630 |
|
|
10 |
A' |
1536 |
1444 |
0.940 |
196 |
2631 |
|
|
11 |
A' |
1448 |
1386 |
0.957 |
196 |
2632 |
|
|
12 |
A' |
1409 |
1365 |
0.969 |
196 |
2633 |
|
|
13 |
A' |
1342 |
1346 |
1.003 |
196 |
2634 |
|
|
14 |
A' |
1331 |
1266 |
0.951 |
196 |
2635 |
|
|
15 |
A' |
1180 |
1164 |
0.987 |
196 |
2636 |
|
|
16 |
A' |
1086 |
1035 |
0.953 |
196 |
2637 |
|
|
17 |
A' |
1069 |
1006 |
0.941 |
196 |
2638 |
|
|
18 |
A' |
921 |
906 |
0.984 |
196 |
2639 |
|
|
19 |
A' |
885 |
853 |
0.963 |
196 |
2640 |
|
|
20 |
A' |
832 |
822 |
0.988 |
196 |
2641 |
|
|
21 |
A' |
701 |
743 |
1.059 |
196 |
2642 |
|
|
22 |
A' |
535 |
546 |
1.021 |
196 |
2643 |
|
|
23 |
A' |
435 |
432 |
0.994 |
196 |
2644 |
|
|
24 |
A' |
391 |
404 |
1.032 |
196 |
2645 |
|
|
25 |
A' |
242 |
246 |
1.017 |
196 |
2646 |
|
|
26 |
A" |
3133 |
2940 |
0.938 |
196 |
2647 |
|
|
27 |
A" |
3110 |
2902 |
0.933 |
196 |
2648 |
|
|
28 |
A" |
3079 |
2850 |
0.926 |
196 |
2649 |
|
|
29 |
A" |
2938 |
2803 |
0.954 |
196 |
2650 |
|
|
30 |
A" |
1547 |
1468 |
0.949 |
196 |
2651 |
|
|
31 |
A" |
1526 |
1460 |
0.957 |
196 |
2652 |
|
|
32 |
A" |
1519 |
1436 |
0.945 |
196 |
2653 |
|
|
33 |
A" |
1406 |
1332 |
0.947 |
196 |
2654 |
|
|
34 |
A" |
1404 |
1318 |
0.939 |
196 |
2655 |
|
|
35 |
A" |
1378 |
1285 |
0.933 |
196 |
2656 |
|
|
36 |
A" |
1335 |
1258 |
0.942 |
196 |
2657 |
|
|
37 |
A" |
1219 |
1191 |
0.977 |
196 |
2658 |
|
|
38 |
A" |
1207 |
1146 |
0.950 |
196 |
2659 |
|
|
39 |
A" |
1138 |
1115 |
0.980 |
196 |
2660 |
|
|
40 |
A" |
1089 |
1052 |
0.966 |
196 |
2661 |
|
|
41 |
A" |
1010 |
964 |
0.955 |
196 |
2662 |
|
|
42 |
A" |
890 |
874 |
0.982 |
196 |
2663 |
|
|
43 |
A" |
835 |
810 |
0.969 |
196 |
2664 |
|
|
44 |
A" |
451 |
445 |
0.986 |
196 |
2665 |
|
|
45 |
A" |
247 |
254 |
1.027 |
196 |
2666 |
C6H14 |
Hexane |
1 |
Ag |
3143 |
2966 |
0.944 |
197 |
2667 |
|
|
2 |
Ag |
3067 |
2877 |
0.938 |
197 |
2668 |
|
|
3 |
Ag |
3065 |
2863 |
0.934 |
197 |
2669 |
|
|
4 |
Ag |
3050 |
2852 |
0.935 |
197 |
2670 |
|
|
5 |
Ag |
1572 |
1460 |
0.929 |
197 |
2671 |
|
|
6 |
Ag |
1553 |
1460 |
0.940 |
197 |
2672 |
|
|
7 |
Ag |
1543 |
1440 |
0.933 |
197 |
2673 |
|
|
8 |
Ag |
1462 |
1397 |
0.956 |
197 |
2674 |
|
|
9 |
Ag |
1406 |
1366 |
0.971 |
197 |
2675 |
|
|
10 |
Ag |
1378 |
1305 |
0.947 |
197 |
2676 |
|
|
11 |
Ag |
1184 |
1140 |
0.963 |
197 |
2677 |
|
|
12 |
Ag |
1083 |
1065 |
0.983 |
197 |
2678 |
|
|
13 |
Ag |
1017 |
1007 |
0.990 |
197 |
2679 |
|
|
14 |
Ag |
929 |
901 |
0.970 |
197 |
2680 |
|
|
15 |
Ag |
372 |
371 |
0.996 |
197 |
2681 |
|
|
16 |
Ag |
301 |
305 |
1.013 |
197 |
2682 |
|
|
17 |
Au |
3145 |
2967 |
0.943 |
197 |
2683 |
|
|
18 |
Au |
3121 |
2936 |
0.941 |
197 |
2684 |
|
|
19 |
Au |
3090 |
2920 |
0.945 |
197 |
2685 |
|
|
20 |
Au |
1569 |
1460 |
0.931 |
197 |
2686 |
|
|
21 |
Au |
1382 |
1303 |
0.943 |
197 |
2687 |
|
|
22 |
Au |
1295 |
1222 |
0.943 |
197 |
2688 |
|
|
23 |
Au |
1063 |
1010 |
0.950 |
197 |
2689 |
|
|
24 |
Au |
836 |
824 |
0.985 |
197 |
2690 |
|
|
25 |
Au |
749 |
726 |
0.969 |
197 |
2691 |
|
|
26 |
Au |
256 |
216 |
0.842 |
197 |
2692 |
|
|
27 |
Au |
102 |
94 |
0.917 |
197 |
2693 |
|
|
28 |
Au |
73 |
61 |
0.836 |
197 |
2694 |
|
|
29 |
Bg |
3143 |
2966 |
0.944 |
197 |
2695 |
|
|
30 |
Bg |
3106 |
2908 |
0.936 |
197 |
2696 |
|
|
31 |
Bg |
3078 |
2908 |
0.945 |
197 |
2697 |
|
|
32 |
Bg |
1569 |
1460 |
0.931 |
197 |
2698 |
|
|
33 |
Bg |
1375 |
1305 |
0.949 |
197 |
2699 |
|
|
34 |
Bg |
1354 |
1283 |
0.948 |
197 |
2700 |
|
|
35 |
Bg |
1236 |
1168 |
0.945 |
197 |
2701 |
|
|
36 |
Bg |
946 |
894 |
0.945 |
197 |
2702 |
|
|
37 |
Bg |
768 |
740 |
0.964 |
197 |
2703 |
|
|
38 |
Bg |
245 |
208 |
0.849 |
197 |
2704 |
|
|
39 |
Bg |
150 |
125 |
0.835 |
197 |
2705 |
|
|
40 |
Bu |
3143 |
2967 |
0.944 |
197 |
2706 |
|
|
41 |
Bu |
3070 |
2884 |
0.939 |
197 |
2707 |
|
|
42 |
Bu |
3066 |
2867 |
0.935 |
197 |
2708 |
|
|
43 |
Bu |
3055 |
2851 |
0.933 |
197 |
2709 |
|
|
44 |
Bu |
1573 |
1476 |
0.938 |
197 |
2710 |
|
|
45 |
Bu |
1561 |
1465 |
0.939 |
197 |
2711 |
|
|
46 |
Bu |
1543 |
1452 |
0.941 |
197 |
2712 |
|
|
47 |
Bu |
1460 |
1387 |
0.950 |
197 |
2713 |
|
|
48 |
Bu |
1409 |
1375 |
0.976 |
197 |
2714 |
|
|
49 |
Bu |
1318 |
1249 |
0.948 |
197 |
2715 |
|
|
50 |
Bu |
1106 |
1061 |
0.959 |
197 |
2716 |
|
|
51 |
Bu |
1062 |
1035 |
0.975 |
197 |
2717 |
|
|
52 |
Bu |
902 |
888 |
0.984 |
197 |
2718 |
|
|
53 |
Bu |
476 |
470 |
0.988 |
197 |
2719 |
|
|
54 |
Bu |
135 |
139 |
1.029 |
197 |
2720 |