H2 |
Hydrogen diatomic |
1 |
Σg |
4501 |
4161 |
0.924 |
1 |
1 |
BH |
Boron monohydride |
1 |
Σ |
2430 |
2269 |
0.934 |
2 |
2 |
AlH |
aluminum monohydride |
1 |
Σ |
1709 |
1625 |
0.951 |
3 |
3 |
CH |
Methylidyne |
1 |
Σ |
2933 |
2733 |
0.932 |
4 |
4 |
|
|
1 |
Σ |
3234 |
|
|
4 |
5 |
C2 |
Carbon diatomic |
1 |
Σg |
1876 |
1827 |
0.974 |
5 |
6 |
SiH |
Silylidyne |
1 |
Σ |
2092 |
1971 |
0.942 |
6 |
7 |
Si2 |
Silicon diatomic |
1 |
Σg |
550 |
507 |
0.921 |
7 |
8 |
NH |
Imidogen |
1 |
Σ |
3343 |
3126 |
0.935 |
8 |
9 |
CN |
Cyano radical |
1 |
Σ |
2848 |
2042 |
0.717 |
9 |
10 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2176 |
2330 |
1.071 |
10 |
11 |
|
|
1 |
Σg |
1744 |
1733 |
0.994 |
10 |
12 |
SiN |
Silicon nitride |
1 |
Σ |
1403 |
1138 |
0.812 |
11 |
13 |
PH |
phosphorus monohydride |
1 |
Σ |
2431 |
2276 |
0.936 |
12 |
14 |
|
|
1 |
Σ |
2459 |
2319 |
0.943 |
12 |
15 |
CP |
Carbon monophosphide |
1 |
Σ |
1200 |
1226 |
1.022 |
13 |
16 |
PN |
Phosphorus mononitride |
1 |
Σ |
1124 |
1323 |
1.177 |
14 |
17 |
P2 |
Phosphorus diatomic |
1 |
Σg |
710 |
775 |
1.092 |
15 |
18 |
OH |
Hydroxyl radical |
1 |
Σ |
3794 |
3570 |
0.941 |
16 |
19 |
BO |
boron monoxide |
1 |
Σ |
1904 |
1862 |
0.978 |
17 |
20 |
CO |
Carbon monoxide |
1 |
Σ |
2117 |
2143 |
1.013 |
18 |
21 |
|
|
1 |
Σ |
2520 |
|
|
18 |
22 |
SiO |
Silicon monoxide |
1 |
Σ |
1135 |
1230 |
1.083 |
19 |
23 |
HS |
Mercapto radical |
1 |
Σ |
2778 |
2599 |
0.936 |
20 |
24 |
BS |
boron sulfide |
1 |
Σ |
1209 |
1167 |
0.966 |
21 |
25 |
CS |
carbon monosulfide |
1 |
Σ |
1296 |
1272 |
0.982 |
22 |
26 |
SO |
Sulfur monoxide |
1 |
Σ |
1076 |
1138 |
1.058 |
23 |
27 |
|
|
1 |
Σ |
929 |
1054 |
1.135 |
23 |
28 |
AlS |
Aluminum sulfide |
1 |
Σ |
696 |
610 |
0.877 |
24 |
29 |
SiS |
silicon monosulfide |
1 |
Σ |
744 |
744 |
1.001 |
25 |
30 |
S2 |
Sulfur diatomic |
1 |
Σg |
693 |
720 |
1.039 |
26 |
31 |
HF |
Hydrogen fluoride |
1 |
Σ |
4172 |
3961 |
0.949 |
27 |
32 |
CF |
Fluoromethylidyne |
1 |
Σ |
1327 |
1286 |
0.969 |
28 |
33 |
NF |
nitrogen fluoride |
1 |
Σ |
1175 |
1123 |
0.956 |
29 |
34 |
F2 |
Fluorine diatomic |
1 |
Σg |
933 |
894 |
0.958 |
30 |
35 |
AlF |
Aluminum monofluoride |
1 |
Σ |
794 |
793 |
0.998 |
31 |
36 |
SiF |
silicon monofluoride |
1 |
Σ |
848 |
848 |
0.999 |
32 |
37 |
PF |
phosphorus monofluoride |
1 |
Σ |
840 |
838 |
0.997 |
33 |
38 |
SF |
Monosulfur monofluoride |
1 |
Σ |
826 |
829 |
1.004 |
34 |
39 |
HCl |
Hydrogen chloride |
1 |
Σ |
3083 |
2886 |
0.936 |
35 |
40 |
BCl |
boron monochloride |
1 |
Σ |
869 |
829 |
0.954 |
36 |
41 |
CCl |
carbon monochloride |
1 |
Σ |
899 |
866 |
0.963 |
37 |
42 |
ClO |
Monochlorine monoxide |
1 |
Σ |
846 |
843 |
0.996 |
38 |
43 |
ClF |
Chlorine monofluoride |
1 |
Σ |
759 |
773 |
1.019 |
39 |
44 |
AlCl |
Aluminum monochloride |
1 |
Σ |
478 |
478 |
0.998 |
40 |
45 |
SiCl |
Clorosilylidyne |
1 |
Σ |
533 |
531 |
0.996 |
41 |
46 |
PCl |
phosphorus chloride |
1 |
Σ |
543 |
547 |
1.008 |
42 |
47 |
SCl |
sulfur monochloride |
1 |
Σ |
568 |
577 |
1.016 |
43 |
48 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
547 |
554 |
1.013 |
44 |
49 |
BH2 |
boron dihydride |
2 |
A1 |
1051 |
954 |
0.907 |
45 |
50 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1887 |
1770 |
0.938 |
46 |
51 |
|
|
2 |
A1 |
789 |
760 |
0.963 |
46 |
52 |
|
|
3 |
B2 |
1916 |
1807 |
0.943 |
46 |
53 |
SiH2 |
silicon dihydride |
1 |
A1 |
2124 |
1996 |
0.940 |
47 |
54 |
|
|
2 |
A1 |
1053 |
999 |
0.948 |
47 |
55 |
|
|
3 |
B2 |
2122 |
1993 |
0.939 |
47 |
56 |
NH2 |
Amino radical |
1 |
A1 |
3418 |
3219 |
0.942 |
48 |
57 |
|
|
2 |
A1 |
1570 |
1497 |
0.954 |
48 |
58 |
|
|
3 |
B2 |
3525 |
3301 |
0.936 |
48 |
59 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3492 |
3312 |
0.948 |
49 |
60 |
|
|
2 |
Σ |
2016 |
2089 |
1.036 |
49 |
61 |
|
|
3 |
Π |
727 |
712 |
0.980 |
49 |
62 |
PH2 |
Phosphino radical |
1 |
A1 |
2468 |
2310 |
0.936 |
50 |
63 |
|
|
2 |
A1 |
1148 |
1102 |
0.960 |
50 |
64 |
HCP |
Phosphaethyne |
1 |
Σ |
3373 |
3217 |
0.954 |
51 |
65 |
|
|
2 |
Σ |
1234 |
1278 |
1.036 |
51 |
66 |
|
|
3 |
Π |
686 |
674 |
0.982 |
51 |
67 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2205 |
2095 |
0.950 |
52 |
68 |
|
|
2 |
A' |
1095 |
1188 |
1.085 |
52 |
69 |
|
|
3 |
A' |
1011 |
986 |
0.975 |
52 |
70 |
H2O |
Water |
1 |
A1 |
3855 |
3657 |
0.949 |
53 |
71 |
|
|
2 |
A1 |
1679 |
1595 |
0.950 |
53 |
72 |
|
|
3 |
B2 |
3975 |
3756 |
0.945 |
53 |
73 |
HBO |
Boron hydride oxide |
1 |
Σ |
2937 |
2850 |
0.971 |
54 |
74 |
|
|
2 |
Σ |
1801 |
1826 |
1.014 |
54 |
75 |
|
|
3 |
Π |
802 |
756 |
0.943 |
54 |
76 |
HCO |
Formyl radical |
1 |
A' |
2720 |
2434 |
0.895 |
55 |
77 |
|
|
2 |
A' |
1945 |
1868 |
0.961 |
55 |
78 |
|
|
3 |
A' |
1125 |
1081 |
0.961 |
55 |
79 |
HNO |
Nitrosyl hydride |
1 |
A' |
2966 |
2684 |
0.905 |
56 |
80 |
|
|
2 |
A' |
1586 |
1565 |
0.987 |
56 |
81 |
|
|
3 |
A' |
1499 |
1501 |
1.001 |
56 |
82 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3682 |
3436 |
0.933 |
57 |
83 |
|
|
2 |
A' |
1456 |
1392 |
0.956 |
57 |
84 |
|
|
3 |
A' |
1227 |
1098 |
0.894 |
57 |
85 |
CO2 |
Carbon dioxide |
1 |
Σg |
1330 |
1333 |
1.002 |
58 |
86 |
|
|
2 |
Σu |
2445 |
2349 |
0.961 |
58 |
87 |
|
|
3 |
Πu |
649 |
667 |
1.028 |
58 |
88 |
N2O |
Nitrous oxide |
1 |
Σ |
2266 |
2224 |
0.981 |
59 |
89 |
|
|
2 |
Σ |
1296 |
1285 |
0.991 |
59 |
90 |
|
|
3 |
Π |
580 |
589 |
1.016 |
59 |
91 |
SiO2 |
silicon dioxide |
2 |
Σu |
1402 |
1416 |
1.010 |
60 |
92 |
|
|
3 |
Πu |
277 |
273 |
0.982 |
60 |
93 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2799 |
2615 |
0.934 |
61 |
94 |
|
|
2 |
A1 |
1215 |
1183 |
0.973 |
61 |
95 |
|
|
3 |
B2 |
2825 |
2626 |
0.930 |
61 |
96 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2866 |
2736 |
0.954 |
62 |
97 |
|
|
2 |
Σ |
1204 |
1172 |
0.974 |
62 |
98 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2111 |
2062 |
0.977 |
63 |
99 |
|
|
2 |
Σ |
893 |
859 |
0.962 |
63 |
100 |
|
|
3 |
Π |
515 |
520 |
1.009 |
63 |
101 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1052 |
1151 |
1.094 |
64 |
102 |
|
|
2 |
A1 |
484 |
518 |
1.069 |
64 |
103 |
|
|
3 |
B2 |
1261 |
1362 |
1.080 |
64 |
104 |
CS2 |
Carbon disulfide |
1 |
Σg |
679 |
658 |
0.969 |
65 |
105 |
|
|
2 |
Σu |
1638 |
1535 |
0.937 |
65 |
106 |
|
|
3 |
Πu |
397 |
397 |
0.999 |
65 |
107 |
SSO |
Disulfur monoxide |
1 |
A' |
1115 |
1166 |
1.046 |
66 |
108 |
|
|
2 |
A' |
662 |
679 |
1.025 |
66 |
109 |
|
|
3 |
A' |
360 |
380 |
1.056 |
66 |
110 |
HCF |
Fluoromethylene |
1 |
A' |
2862 |
2643 |
0.923 |
67 |
111 |
|
|
2 |
A' |
1461 |
1403 |
0.961 |
67 |
112 |
|
|
3 |
A' |
1249 |
1189 |
0.952 |
67 |
113 |
HOF |
Hypofluorous acid |
1 |
A' |
3789 |
3578 |
0.944 |
68 |
114 |
|
|
2 |
A' |
1389 |
1362 |
0.981 |
68 |
115 |
|
|
3 |
A' |
945 |
893 |
0.945 |
68 |
116 |
CF2 |
Difluoromethylene |
1 |
A1 |
1265 |
1225 |
0.968 |
69 |
117 |
|
|
2 |
A1 |
672 |
667 |
0.993 |
69 |
118 |
|
|
3 |
B2 |
1172 |
1114 |
0.951 |
69 |
119 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1880 |
1844 |
0.981 |
70 |
120 |
|
|
2 |
A' |
767 |
766 |
0.999 |
70 |
121 |
|
|
3 |
A' |
490 |
520 |
1.062 |
70 |
122 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1127 |
1075 |
0.954 |
71 |
123 |
|
|
2 |
A1 |
586 |
573 |
0.978 |
71 |
124 |
|
|
3 |
B2 |
984 |
942 |
0.958 |
71 |
125 |
F2O |
Difluorine monoxide |
1 |
A1 |
925 |
928 |
1.004 |
72 |
126 |
|
|
2 |
A1 |
464 |
461 |
0.993 |
72 |
127 |
|
|
3 |
B2 |
849 |
831 |
0.979 |
72 |
128 |
HOCl |
hypochlorous acid |
1 |
A' |
3787 |
3609 |
0.953 |
73 |
129 |
|
|
2 |
A' |
1247 |
1239 |
0.994 |
73 |
130 |
|
|
3 |
A' |
733 |
724 |
0.988 |
73 |
131 |
ClCN |
chlorocyanogen |
1 |
Σ |
2133 |
2216 |
1.039 |
74 |
132 |
|
|
2 |
Σ |
751 |
744 |
0.990 |
74 |
133 |
|
|
3 |
Π |
373 |
378 |
1.014 |
74 |
134 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1913 |
1800 |
0.941 |
75 |
135 |
|
|
2 |
A' |
583 |
596 |
1.022 |
75 |
136 |
|
|
3 |
A' |
325 |
332 |
1.020 |
75 |
137 |
OClO |
Chlorine dioxide |
1 |
A1 |
951 |
946 |
0.994 |
76 |
138 |
|
|
2 |
A1 |
417 |
448 |
1.073 |
76 |
139 |
|
|
3 |
B2 |
1044 |
1110 |
1.063 |
76 |
140 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
620 |
639 |
1.031 |
77 |
141 |
|
|
2 |
A1 |
295 |
296 |
1.004 |
77 |
142 |
|
|
3 |
B2 |
688 |
686 |
0.997 |
77 |
143 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
528 |
522 |
0.989 |
78 |
144 |
|
|
2 |
A1 |
200 |
201 |
1.003 |
78 |
145 |
|
|
3 |
B2 |
527 |
509 |
0.967 |
78 |
146 |
ClS2 |
Sulfur chloride |
1 |
A' |
676 |
662 |
0.979 |
79 |
147 |
|
|
2 |
A' |
427 |
450 |
1.053 |
79 |
148 |
|
|
3 |
A' |
209 |
196 |
0.938 |
79 |
149 |
BH3 |
boron trihydride |
2 |
A2" |
1174 |
1148 |
0.978 |
80 |
150 |
|
|
3 |
E' |
2750 |
2602 |
0.946 |
80 |
151 |
|
|
4 |
E' |
1230 |
1197 |
0.973 |
80 |
152 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1963 |
1900 |
0.968 |
81 |
153 |
|
|
2 |
A2" |
737 |
698 |
0.946 |
81 |
154 |
|
|
3 |
E' |
1968 |
1883 |
0.957 |
81 |
155 |
|
|
4 |
E' |
813 |
783 |
0.964 |
81 |
156 |
C2H2 |
Acetylene |
1 |
Σg |
3546 |
3374 |
0.952 |
82 |
157 |
|
|
2 |
Σg |
1967 |
1974 |
1.003 |
82 |
158 |
|
|
3 |
Σu |
3460 |
3289 |
0.951 |
82 |
159 |
|
|
4 |
Πg |
560 |
612 |
1.093 |
82 |
160 |
|
|
5 |
Πu |
752 |
730 |
0.971 |
82 |
161 |
SiH3 |
Silyl radical |
1 |
A1 |
2270 |
2136 |
0.941 |
83 |
162 |
|
|
2 |
A1 |
800 |
728 |
0.910 |
83 |
163 |
|
|
3 |
E |
2305 |
2185 |
0.948 |
83 |
164 |
|
|
4 |
E |
960 |
922 |
0.961 |
83 |
165 |
NH3 |
Ammonia |
1 |
A1 |
3491 |
3337 |
0.956 |
84 |
166 |
|
|
2 |
A1 |
1161 |
950 |
0.818 |
84 |
167 |
|
|
3 |
E |
3635 |
3444 |
0.948 |
84 |
168 |
|
|
4 |
E |
1690 |
1627 |
0.963 |
84 |
169 |
C2N2 |
Cyanogen |
1 |
Σg |
2241 |
2330 |
1.040 |
85 |
170 |
|
|
2 |
Σg |
861 |
846 |
0.983 |
85 |
171 |
|
|
3 |
Σu |
2037 |
2158 |
1.059 |
85 |
172 |
|
|
4 |
Πg |
518 |
503 |
0.972 |
85 |
173 |
|
|
5 |
Πu |
238 |
234 |
0.982 |
85 |
174 |
PH3 |
Phosphine |
1 |
A1 |
2488 |
2323 |
0.934 |
86 |
175 |
|
|
2 |
A1 |
1039 |
992 |
0.955 |
86 |
176 |
|
|
3 |
E |
2505 |
2328 |
0.929 |
86 |
177 |
|
|
4 |
E |
1163 |
1118 |
0.961 |
86 |
178 |
P4 |
Phosphorus tetramer |
1 |
A1 |
607 |
601 |
0.989 |
87 |
179 |
|
|
2 |
E |
353 |
361 |
1.021 |
87 |
180 |
|
|
3 |
T2 |
451 |
467 |
1.035 |
87 |
181 |
H2CO |
Formaldehyde |
1 |
A1 |
2971 |
2782 |
0.936 |
88 |
182 |
|
|
2 |
A1 |
1786 |
1746 |
0.978 |
88 |
183 |
|
|
3 |
A1 |
1549 |
1500 |
0.968 |
88 |
184 |
|
|
4 |
B1 |
1200 |
1167 |
0.972 |
88 |
185 |
|
|
5 |
B2 |
3040 |
2843 |
0.935 |
88 |
186 |
|
|
6 |
B2 |
1276 |
1249 |
0.979 |
88 |
187 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3813 |
3599 |
0.944 |
89 |
188 |
|
|
2 |
A |
1443 |
1402 |
0.971 |
89 |
189 |
|
|
3 |
A |
920 |
877 |
0.953 |
89 |
190 |
|
|
4 |
A |
338 |
371 |
1.099 |
89 |
191 |
|
|
5 |
B |
3810 |
3608 |
0.947 |
89 |
192 |
|
|
6 |
B |
1307 |
1266 |
0.969 |
89 |
193 |
HNCO |
Isocyanic acid |
1 |
A' |
3706 |
3538 |
0.955 |
90 |
194 |
|
|
2 |
A' |
2348 |
2269 |
0.966 |
90 |
195 |
|
|
3 |
A' |
1298 |
1327 |
1.022 |
90 |
196 |
|
|
4 |
A' |
822 |
777 |
0.945 |
90 |
197 |
|
|
5 |
A' |
554 |
577 |
1.042 |
90 |
198 |
|
|
6 |
A" |
619 |
656 |
1.060 |
90 |
199 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2047 |
2060 |
1.006 |
91 |
200 |
|
|
2 |
Σg |
621 |
585 |
0.942 |
91 |
201 |
|
|
3 |
Σu |
1870 |
1898 |
1.015 |
91 |
202 |
|
|
4 |
Πg |
511 |
410 |
0.802 |
91 |
203 |
|
|
5 |
Πu |
219 |
213 |
0.974 |
91 |
204 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3121 |
2971 |
0.952 |
92 |
205 |
|
|
2 |
A1 |
1499 |
1456 |
0.971 |
92 |
206 |
|
|
3 |
A1 |
1106 |
1059 |
0.957 |
92 |
207 |
|
|
4 |
B1 |
1015 |
990 |
0.976 |
92 |
208 |
|
|
5 |
B2 |
3219 |
3025 |
0.940 |
92 |
209 |
|
|
6 |
B2 |
1014 |
991 |
0.978 |
92 |
210 |
H2S2 |
Disulfane |
1 |
A |
2752 |
2556 |
0.929 |
93 |
211 |
|
|
2 |
A |
905 |
882 |
0.975 |
93 |
212 |
|
|
3 |
A |
525 |
515 |
0.980 |
93 |
213 |
|
|
4 |
A |
429 |
417 |
0.973 |
93 |
214 |
|
|
5 |
B |
2755 |
2559 |
0.929 |
93 |
215 |
|
|
6 |
B |
906 |
878 |
0.969 |
93 |
216 |
SO3 |
Sulfur trioxide |
1 |
A1' |
1007 |
1065 |
1.058 |
94 |
217 |
|
|
2 |
A2" |
465 |
498 |
1.071 |
94 |
218 |
|
|
3 |
E' |
1375 |
1391 |
1.012 |
94 |
219 |
|
|
4 |
E' |
489 |
530 |
1.084 |
94 |
220 |
BHF2 |
Difluoroborane |
1 |
A1 |
2782 |
2621 |
0.942 |
95 |
221 |
|
|
2 |
A1 |
1148 |
1164 |
1.014 |
95 |
222 |
|
|
3 |
A1 |
539 |
542 |
1.005 |
95 |
223 |
|
|
4 |
B1 |
965 |
924 |
0.957 |
95 |
224 |
|
|
5 |
B2 |
1434 |
1402 |
0.977 |
95 |
225 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1995 |
1928 |
0.966 |
96 |
226 |
|
|
2 |
A1 |
969 |
965 |
0.996 |
96 |
227 |
|
|
3 |
A1 |
586 |
584 |
0.997 |
96 |
228 |
|
|
4 |
B1 |
785 |
774 |
0.986 |
96 |
229 |
|
|
5 |
B2 |
1284 |
1249 |
0.973 |
96 |
230 |
|
|
6 |
B2 |
621 |
626 |
1.008 |
96 |
231 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
869 |
888 |
1.021 |
97 |
232 |
|
|
2 |
A2" |
712 |
691 |
0.970 |
97 |
233 |
|
|
3 |
E' |
1471 |
1449 |
0.985 |
97 |
234 |
|
|
4 |
E' |
483 |
480 |
0.994 |
97 |
235 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1480 |
1523 |
1.029 |
98 |
236 |
|
|
2 |
Ag |
1044 |
1018 |
0.975 |
98 |
237 |
|
|
3 |
Ag |
610 |
603 |
0.989 |
98 |
238 |
|
|
4 |
Au |
367 |
364 |
0.991 |
98 |
239 |
|
|
5 |
Bu |
1013 |
991 |
0.978 |
98 |
240 |
|
|
6 |
Bu |
426 |
423 |
0.994 |
98 |
241 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1115 |
1089 |
0.977 |
99 |
242 |
|
|
2 |
A1 |
710 |
701 |
0.987 |
99 |
243 |
|
|
3 |
E |
1304 |
1260 |
0.967 |
99 |
244 |
|
|
4 |
E |
514 |
509 |
0.990 |
99 |
245 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1044 |
1032 |
0.989 |
100 |
246 |
|
|
2 |
A1 |
656 |
647 |
0.986 |
100 |
247 |
|
|
3 |
E |
916 |
907 |
0.990 |
100 |
248 |
|
|
4 |
E |
497 |
492 |
0.990 |
100 |
249 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
674 |
690 |
1.023 |
101 |
250 |
|
|
2 |
A2" |
295 |
297 |
1.005 |
101 |
251 |
|
|
3 |
E' |
949 |
935 |
0.986 |
101 |
252 |
|
|
4 |
E' |
236 |
263 |
1.114 |
101 |
253 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
886 |
892 |
1.006 |
102 |
254 |
|
|
2 |
A1 |
455 |
487 |
1.070 |
102 |
255 |
|
|
3 |
E |
870 |
860 |
0.988 |
102 |
256 |
|
|
4 |
E |
325 |
344 |
1.060 |
102 |
257 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2753 |
2617 |
0.951 |
103 |
258 |
|
|
2 |
A1 |
763 |
740 |
0.970 |
103 |
259 |
|
|
4 |
B1 |
813 |
784 |
0.964 |
103 |
260 |
|
|
5 |
B2 |
1135 |
1089 |
0.959 |
103 |
261 |
|
|
6 |
B2 |
941 |
892 |
0.948 |
103 |
262 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1341 |
1267 |
0.945 |
104 |
263 |
|
|
2 |
A1 |
778 |
793 |
1.020 |
104 |
264 |
|
|
3 |
A1 |
312 |
364 |
1.166 |
104 |
265 |
|
|
4 |
B1 |
648 |
652 |
1.006 |
104 |
266 |
|
|
5 |
B2 |
1993 |
1684 |
0.845 |
104 |
267 |
|
|
6 |
B2 |
389 |
408 |
1.048 |
104 |
268 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
722 |
752 |
1.042 |
105 |
269 |
|
|
2 |
A1 |
514 |
529 |
1.029 |
105 |
270 |
|
|
3 |
A1 |
305 |
328 |
1.075 |
105 |
271 |
|
|
4 |
B1 |
316 |
328 |
1.040 |
105 |
272 |
|
|
5 |
B2 |
762 |
702 |
0.921 |
105 |
273 |
|
|
6 |
B2 |
401 |
442 |
1.103 |
105 |
274 |
CCl2O |
Phosgene |
1 |
A1 |
1856 |
1827 |
0.985 |
106 |
275 |
|
|
2 |
A1 |
578 |
567 |
0.980 |
106 |
276 |
|
|
3 |
A1 |
312 |
285 |
0.915 |
106 |
277 |
|
|
4 |
B1 |
594 |
580 |
0.977 |
106 |
278 |
|
|
5 |
B2 |
859 |
849 |
0.988 |
106 |
279 |
|
|
6 |
B2 |
447 |
440 |
0.984 |
106 |
280 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
823 |
820 |
0.996 |
107 |
281 |
|
|
2 |
A1 |
507 |
500 |
0.987 |
107 |
282 |
|
|
3 |
A1 |
227 |
250 |
1.100 |
107 |
283 |
|
|
4 |
B1 |
268 |
260 |
0.971 |
107 |
284 |
|
|
5 |
B2 |
941 |
900 |
0.957 |
107 |
285 |
|
|
6 |
B2 |
186 |
200 |
1.076 |
107 |
286 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
489 |
471 |
0.963 |
108 |
287 |
|
|
2 |
A2" |
469 |
460 |
0.981 |
108 |
288 |
|
|
3 |
E' |
1009 |
956 |
0.947 |
108 |
289 |
|
|
4 |
E' |
262 |
243 |
0.928 |
108 |
290 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
881 |
850 |
0.965 |
109 |
291 |
|
|
2 |
A1 |
438 |
450 |
1.027 |
109 |
292 |
|
|
3 |
A1 |
153 |
150 |
0.978 |
109 |
293 |
|
|
4 |
B1 |
240 |
220 |
0.917 |
109 |
294 |
|
|
5 |
B2 |
644 |
610 |
0.948 |
109 |
295 |
|
|
6 |
B2 |
202 |
200 |
0.992 |
109 |
296 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
387 |
375 |
0.969 |
110 |
297 |
|
|
2 |
A2" |
211 |
183 |
0.865 |
110 |
298 |
|
|
3 |
E' |
632 |
595 |
0.941 |
110 |
299 |
|
|
4 |
E' |
148 |
150 |
1.013 |
110 |
300 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
521 |
504 |
0.968 |
111 |
301 |
|
|
2 |
A1 |
259 |
252 |
0.972 |
111 |
302 |
|
|
3 |
E |
511 |
482 |
0.943 |
111 |
303 |
|
|
4 |
E |
187 |
198 |
1.058 |
111 |
304 |
CH4 |
Methane |
1 |
A1 |
3088 |
2917 |
0.945 |
112 |
305 |
|
|
2 |
E |
1568 |
1534 |
0.978 |
112 |
306 |
|
|
3 |
T2 |
3241 |
3019 |
0.931 |
112 |
307 |
|
|
4 |
T2 |
1340 |
1306 |
0.975 |
112 |
308 |
SiH4 |
Silane |
1 |
A1 |
2295 |
2187 |
0.953 |
113 |
309 |
|
|
2 |
E |
1002 |
975 |
0.974 |
113 |
310 |
|
|
3 |
T2 |
2306 |
2191 |
0.950 |
113 |
311 |
|
|
4 |
T2 |
946 |
914 |
0.966 |
113 |
312 |
CH2NH |
Methanimine |
1 |
A' |
3460 |
3263 |
0.943 |
114 |
313 |
|
|
2 |
A' |
3208 |
3024 |
0.943 |
114 |
314 |
|
|
3 |
A' |
3096 |
2914 |
0.941 |
114 |
315 |
|
|
4 |
A' |
1686 |
1638 |
0.972 |
114 |
316 |
|
|
5 |
A' |
1490 |
1452 |
0.974 |
114 |
317 |
|
|
6 |
A' |
1378 |
1344 |
0.975 |
114 |
318 |
|
|
7 |
A' |
1074 |
1058 |
0.985 |
114 |
319 |
|
|
8 |
A" |
1178 |
1127 |
0.957 |
114 |
320 |
|
|
9 |
A" |
1085 |
1061 |
0.978 |
114 |
321 |
CH2CO |
Ketene |
1 |
A1 |
3251 |
3070 |
0.945 |
115 |
322 |
|
|
2 |
A1 |
2231 |
2152 |
0.964 |
115 |
323 |
|
|
3 |
A1 |
1409 |
1388 |
0.985 |
115 |
324 |
|
|
4 |
A1 |
1157 |
1118 |
0.966 |
115 |
325 |
|
|
5 |
B1 |
582 |
588 |
1.010 |
115 |
326 |
|
|
6 |
B1 |
482 |
528 |
1.096 |
115 |
327 |
|
|
7 |
B2 |
3371 |
3166 |
0.939 |
115 |
328 |
|
|
8 |
B2 |
987 |
977 |
0.990 |
115 |
329 |
|
|
9 |
B2 |
435 |
433 |
0.996 |
115 |
330 |
HCOOH |
Formic acid |
1 |
A' |
3759 |
3570 |
0.950 |
116 |
331 |
|
|
2 |
A' |
3124 |
2943 |
0.942 |
116 |
332 |
|
|
3 |
A' |
1847 |
1770 |
0.958 |
116 |
333 |
|
|
4 |
A' |
1424 |
1387 |
0.974 |
116 |
334 |
|
|
5 |
A' |
1331 |
1229 |
0.923 |
116 |
335 |
|
|
6 |
A' |
1155 |
1105 |
0.957 |
116 |
336 |
|
|
7 |
A' |
633 |
625 |
0.988 |
116 |
337 |
|
|
8 |
A" |
1069 |
1033 |
0.967 |
116 |
338 |
|
|
9 |
A" |
705 |
638 |
0.905 |
116 |
339 |
HNO3 |
Nitric acid |
1 |
A' |
3751 |
3550 |
0.946 |
117 |
340 |
|
|
2 |
A' |
1912 |
1708 |
0.893 |
117 |
341 |
|
|
3 |
A' |
1359 |
1331 |
0.979 |
117 |
342 |
|
|
4 |
A' |
1353 |
1325 |
0.979 |
117 |
343 |
|
|
5 |
A' |
909 |
879 |
0.967 |
117 |
344 |
|
|
6 |
A' |
667 |
647 |
0.969 |
117 |
345 |
|
|
7 |
A' |
589 |
579 |
0.983 |
117 |
346 |
|
|
8 |
A" |
776 |
762 |
0.983 |
117 |
347 |
|
|
9 |
A" |
493 |
456 |
0.925 |
117 |
348 |
CH3F |
Methyl fluoride |
1 |
A1 |
3093 |
2930 |
0.947 |
118 |
349 |
|
|
2 |
A1 |
1509 |
1464 |
0.970 |
118 |
350 |
|
|
3 |
A1 |
1106 |
1049 |
0.948 |
118 |
351 |
|
|
4 |
E |
3198 |
3006 |
0.940 |
118 |
352 |
|
|
5 |
E |
1506 |
1467 |
0.974 |
118 |
353 |
|
|
6 |
E |
1209 |
1182 |
0.977 |
118 |
354 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3123 |
2948 |
0.944 |
119 |
355 |
|
|
2 |
A1 |
1555 |
1508 |
0.970 |
119 |
356 |
|
|
3 |
A1 |
1142 |
1111 |
0.973 |
119 |
357 |
|
|
4 |
A1 |
536 |
529 |
0.986 |
119 |
358 |
|
|
5 |
A2 |
1295 |
1262 |
0.974 |
119 |
359 |
|
|
6 |
B1 |
3206 |
3014 |
0.940 |
119 |
360 |
|
|
7 |
B1 |
1200 |
1178 |
0.982 |
119 |
361 |
|
|
8 |
B2 |
1498 |
1435 |
0.958 |
119 |
362 |
|
|
9 |
B2 |
1156 |
1090 |
0.943 |
119 |
363 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3215 |
3036 |
0.944 |
120 |
364 |
|
|
2 |
A1 |
1157 |
1117 |
0.965 |
120 |
365 |
|
|
3 |
A1 |
707 |
700 |
0.990 |
120 |
366 |
|
|
4 |
E |
1434 |
1372 |
0.957 |
120 |
367 |
|
|
5 |
E |
1209 |
1152 |
0.953 |
120 |
368 |
|
|
6 |
E |
514 |
507 |
0.986 |
120 |
369 |
SiH3F |
monofluorosilane |
1 |
A1 |
2320 |
2206 |
0.951 |
121 |
370 |
|
|
2 |
A1 |
1034 |
990 |
0.958 |
121 |
371 |
|
|
3 |
A1 |
867 |
872 |
1.006 |
121 |
372 |
|
|
4 |
E |
2330 |
2196 |
0.943 |
121 |
373 |
|
|
5 |
E |
980 |
956 |
0.975 |
121 |
374 |
|
|
6 |
E |
739 |
728 |
0.985 |
121 |
375 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3123 |
2966 |
0.950 |
122 |
376 |
|
|
2 |
A1 |
1392 |
1355 |
0.973 |
122 |
377 |
|
|
3 |
A1 |
776 |
732 |
0.943 |
122 |
378 |
|
|
4 |
E |
3246 |
3042 |
0.937 |
122 |
379 |
|
|
5 |
E |
1489 |
1455 |
0.977 |
122 |
380 |
|
|
6 |
E |
1040 |
1015 |
0.976 |
122 |
381 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2313 |
2201 |
0.952 |
123 |
382 |
|
|
2 |
A1 |
980 |
949 |
0.968 |
123 |
383 |
|
|
3 |
A1 |
557 |
551 |
0.990 |
123 |
384 |
|
|
4 |
E |
2327 |
2195 |
0.943 |
123 |
385 |
|
|
5 |
E |
977 |
954 |
0.976 |
123 |
386 |
|
|
6 |
E |
676 |
664 |
0.983 |
123 |
387 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3163 |
2999 |
0.948 |
124 |
388 |
|
|
2 |
A1 |
1471 |
1467 |
0.997 |
124 |
389 |
|
|
3 |
A1 |
740 |
717 |
0.969 |
124 |
390 |
|
|
4 |
A1 |
292 |
282 |
0.965 |
124 |
391 |
|
|
5 |
A2 |
1191 |
1153 |
0.968 |
124 |
392 |
|
|
6 |
B1 |
3251 |
3040 |
0.935 |
124 |
393 |
|
|
7 |
B1 |
912 |
898 |
0.984 |
124 |
394 |
|
|
8 |
B2 |
1305 |
1268 |
0.972 |
124 |
395 |
|
|
9 |
B2 |
804 |
758 |
0.943 |
124 |
396 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2337 |
2224 |
0.952 |
125 |
397 |
|
|
2 |
A1 |
971 |
954 |
0.983 |
125 |
398 |
|
|
3 |
A1 |
533 |
527 |
0.988 |
125 |
399 |
|
|
4 |
A1 |
188 |
188 |
0.999 |
125 |
400 |
|
|
5 |
A2 |
729 |
710 |
0.974 |
125 |
401 |
|
|
6 |
B1 |
2354 |
2237 |
0.950 |
125 |
402 |
|
|
7 |
B1 |
604 |
602 |
0.997 |
125 |
403 |
|
|
8 |
B2 |
902 |
876 |
0.971 |
125 |
404 |
|
|
9 |
B2 |
601 |
590 |
0.981 |
125 |
405 |
CHCl3 |
Chloroform |
1 |
A1 |
3210 |
3034 |
0.945 |
126 |
406 |
|
|
2 |
A1 |
689 |
680 |
0.987 |
126 |
407 |
|
|
3 |
A1 |
376 |
366 |
0.973 |
126 |
408 |
|
|
4 |
E |
1252 |
1220 |
0.974 |
126 |
409 |
|
|
5 |
E |
806 |
774 |
0.961 |
126 |
410 |
|
|
6 |
E |
269 |
260 |
0.965 |
126 |
411 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2370 |
2261 |
0.954 |
127 |
412 |
|
|
2 |
A1 |
498 |
499 |
1.002 |
127 |
413 |
|
|
3 |
A1 |
250 |
254 |
1.014 |
127 |
414 |
|
|
4 |
E |
818 |
811 |
0.991 |
127 |
415 |
|
|
5 |
E |
615 |
600 |
0.976 |
127 |
416 |
|
|
6 |
E |
174 |
176 |
1.009 |
127 |
417 |
C2H4 |
Ethylene |
1 |
Ag |
3212 |
3026 |
0.942 |
128 |
418 |
|
|
2 |
Ag |
1690 |
1623 |
0.960 |
128 |
419 |
|
|
3 |
Ag |
1377 |
1342 |
0.974 |
128 |
420 |
|
|
4 |
Au |
1067 |
1023 |
0.959 |
128 |
421 |
|
|
5 |
B1u |
3193 |
2989 |
0.936 |
128 |
422 |
|
|
6 |
B1u |
1469 |
1444 |
0.983 |
128 |
423 |
|
|
7 |
B2g |
938 |
940 |
1.001 |
128 |
424 |
|
|
8 |
B2u |
3317 |
3105 |
0.936 |
128 |
425 |
|
|
9 |
B2u |
826 |
826 |
1.000 |
128 |
426 |
|
|
10 |
B3g |
3291 |
3086 |
0.938 |
128 |
427 |
|
|
11 |
B3g |
1236 |
1217 |
0.985 |
128 |
428 |
|
|
12 |
B3u |
974 |
949 |
0.974 |
128 |
429 |
C3H3 |
Propargyl radical |
1 |
A1 |
3556 |
3322 |
0.934 |
129 |
430 |
|
|
6 |
B1 |
732 |
687 |
0.938 |
129 |
431 |
|
|
7 |
B1 |
584 |
490 |
0.838 |
129 |
432 |
N2H4 |
Hydrazine |
1 |
A |
3597 |
3398 |
0.945 |
130 |
433 |
|
|
2 |
A |
3485 |
3329 |
0.955 |
130 |
434 |
|
|
3 |
A |
1693 |
1642 |
0.970 |
130 |
435 |
|
|
4 |
A |
1371 |
1275 |
0.930 |
130 |
436 |
|
|
5 |
A |
1155 |
1076 |
0.932 |
130 |
437 |
|
|
6 |
A |
884 |
780 |
0.882 |
130 |
438 |
|
|
7 |
A |
407 |
377 |
0.925 |
130 |
439 |
|
|
8 |
B |
3603 |
3350 |
0.930 |
130 |
440 |
|
|
9 |
B |
3474 |
3314 |
0.954 |
130 |
441 |
|
|
10 |
B |
1679 |
1628 |
0.969 |
130 |
442 |
|
|
11 |
B |
1327 |
1275 |
0.961 |
130 |
443 |
|
|
12 |
B |
1075 |
966 |
0.898 |
130 |
444 |
CH3CN |
Acetonitrile |
1 |
A1 |
3114 |
2954 |
0.949 |
131 |
445 |
|
|
2 |
A1 |
2212 |
2267 |
1.025 |
131 |
446 |
|
|
3 |
A1 |
1410 |
1385 |
0.983 |
131 |
447 |
|
|
4 |
A1 |
943 |
920 |
0.976 |
131 |
448 |
|
|
5 |
E |
3221 |
3009 |
0.934 |
131 |
449 |
|
|
6 |
E |
1479 |
1448 |
0.979 |
131 |
450 |
|
|
7 |
E |
1058 |
1041 |
0.984 |
131 |
451 |
|
|
8 |
E |
363 |
362 |
0.996 |
131 |
452 |
CH3OH |
Methyl alcohol |
1 |
A' |
3872 |
3681 |
0.951 |
132 |
453 |
|
|
2 |
A' |
3196 |
3000 |
0.939 |
132 |
454 |
|
|
3 |
A' |
3049 |
2844 |
0.933 |
132 |
455 |
|
|
4 |
A' |
1522 |
1477 |
0.970 |
132 |
456 |
|
|
5 |
A' |
1496 |
1455 |
0.973 |
132 |
457 |
|
|
6 |
A' |
1402 |
1345 |
0.959 |
132 |
458 |
|
|
7 |
A' |
1116 |
1060 |
0.950 |
132 |
459 |
|
|
8 |
A' |
1082 |
1033 |
0.955 |
132 |
460 |
|
|
9 |
A" |
3118 |
2960 |
0.949 |
132 |
461 |
|
|
10 |
A" |
1505 |
1477 |
0.981 |
132 |
462 |
|
|
11 |
A" |
1183 |
1165 |
0.985 |
132 |
463 |
|
|
12 |
A" |
353 |
200 |
0.567 |
132 |
464 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3021 |
2843 |
0.941 |
133 |
465 |
|
|
2 |
Ag |
1768 |
1745 |
0.987 |
133 |
466 |
|
|
3 |
Ag |
1384 |
1338 |
0.967 |
133 |
467 |
|
|
4 |
Ag |
1107 |
1065 |
0.962 |
133 |
468 |
|
|
5 |
Ag |
565 |
551 |
0.976 |
133 |
469 |
|
|
6 |
Au |
836 |
801 |
0.958 |
133 |
470 |
|
|
7 |
Au |
156 |
127 |
0.816 |
133 |
471 |
|
|
8 |
Bg |
1082 |
1048 |
0.969 |
133 |
472 |
|
|
9 |
Bu |
3013 |
2835 |
0.941 |
133 |
473 |
|
|
10 |
Bu |
1750 |
1732 |
0.990 |
133 |
474 |
|
|
11 |
Bu |
1337 |
1312 |
0.982 |
133 |
475 |
|
|
12 |
Bu |
326 |
339 |
1.040 |
133 |
476 |
CH3SH |
Methanethiol |
1 |
A' |
3222 |
3000 |
0.931 |
134 |
477 |
|
|
2 |
A' |
3107 |
2931 |
0.943 |
134 |
478 |
|
|
3 |
A' |
2790 |
2597 |
0.931 |
134 |
479 |
|
|
4 |
A' |
1493 |
1475 |
0.988 |
134 |
480 |
|
|
5 |
A' |
1364 |
1335 |
0.979 |
134 |
481 |
|
|
6 |
A' |
1106 |
1074 |
0.971 |
134 |
482 |
|
|
7 |
A' |
810 |
803 |
0.991 |
134 |
483 |
|
|
8 |
A' |
741 |
708 |
0.956 |
134 |
484 |
|
|
9 |
A" |
3219 |
3000 |
0.932 |
134 |
485 |
|
|
10 |
A" |
1480 |
1430 |
0.966 |
134 |
486 |
|
|
11 |
A" |
983 |
976 |
0.993 |
134 |
487 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3351 |
3115 |
0.929 |
135 |
488 |
|
|
2 |
A' |
3267 |
3080 |
0.943 |
135 |
489 |
|
|
3 |
A' |
3232 |
3052 |
0.944 |
135 |
490 |
|
|
4 |
A' |
1729 |
1654 |
0.956 |
135 |
491 |
|
|
5 |
A' |
1419 |
1380 |
0.972 |
135 |
492 |
|
|
6 |
A' |
1338 |
1306 |
0.976 |
135 |
493 |
|
|
7 |
A' |
1189 |
1156 |
0.972 |
135 |
494 |
|
|
8 |
A' |
948 |
929 |
0.980 |
135 |
495 |
|
|
9 |
A' |
479 |
483 |
1.009 |
135 |
496 |
|
|
10 |
A" |
980 |
940 |
0.959 |
135 |
497 |
|
|
11 |
A" |
862 |
863 |
1.001 |
135 |
498 |
|
|
12 |
A" |
740 |
711 |
0.961 |
135 |
499 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3263 |
3070 |
0.941 |
136 |
500 |
|
|
2 |
A1 |
1801 |
1728 |
0.960 |
136 |
501 |
|
|
3 |
A1 |
1411 |
1360 |
0.964 |
136 |
502 |
|
|
4 |
A1 |
945 |
926 |
0.980 |
136 |
503 |
|
|
5 |
A1 |
556 |
550 |
0.989 |
136 |
504 |
|
|
6 |
A2 |
730 |
714 |
0.978 |
136 |
505 |
|
|
7 |
B1 |
798 |
803 |
1.007 |
136 |
506 |
|
|
8 |
B1 |
655 |
611 |
0.933 |
136 |
507 |
|
|
9 |
B2 |
3387 |
3154 |
0.931 |
136 |
508 |
|
|
10 |
B2 |
1363 |
1302 |
0.955 |
136 |
509 |
|
|
11 |
B2 |
970 |
955 |
0.984 |
136 |
510 |
|
|
12 |
B2 |
434 |
438 |
1.008 |
136 |
511 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3330 |
3121 |
0.937 |
137 |
512 |
|
|
2 |
A' |
3265 |
3086 |
0.945 |
137 |
513 |
|
|
3 |
A' |
3215 |
3030 |
0.943 |
137 |
514 |
|
|
4 |
A' |
1669 |
1608 |
0.963 |
137 |
515 |
|
|
5 |
A' |
1406 |
1368 |
0.973 |
137 |
516 |
|
|
6 |
A' |
1303 |
1279 |
0.982 |
137 |
517 |
|
|
7 |
A' |
1044 |
1030 |
0.986 |
137 |
518 |
|
|
8 |
A' |
750 |
720 |
0.960 |
137 |
519 |
|
|
9 |
A' |
398 |
395 |
0.992 |
137 |
520 |
|
|
10 |
A" |
981 |
941 |
0.959 |
137 |
521 |
|
|
11 |
A" |
899 |
896 |
0.996 |
137 |
522 |
|
|
12 |
A" |
634 |
620 |
0.977 |
137 |
523 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3227 |
3035 |
0.940 |
138 |
524 |
|
|
2 |
A1 |
1663 |
1627 |
0.978 |
138 |
525 |
|
|
3 |
A1 |
1402 |
1400 |
0.999 |
138 |
526 |
|
|
4 |
A1 |
617 |
603 |
0.978 |
138 |
527 |
|
|
5 |
A1 |
305 |
299 |
0.980 |
138 |
528 |
|
|
6 |
A2 |
701 |
686 |
0.978 |
138 |
529 |
|
|
7 |
B1 |
865 |
875 |
1.011 |
138 |
530 |
|
|
8 |
B1 |
471 |
460 |
0.976 |
138 |
531 |
|
|
9 |
B2 |
3346 |
3130 |
0.935 |
138 |
532 |
|
|
10 |
B2 |
1114 |
1095 |
0.983 |
138 |
533 |
|
|
11 |
B2 |
822 |
800 |
0.973 |
138 |
534 |
|
|
12 |
B2 |
377 |
372 |
0.988 |
138 |
535 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3279 |
3077 |
0.938 |
139 |
536 |
|
|
2 |
A1 |
1657 |
1587 |
0.958 |
139 |
537 |
|
|
3 |
A1 |
1213 |
1179 |
0.972 |
139 |
538 |
|
|
4 |
A1 |
746 |
711 |
0.953 |
139 |
539 |
|
|
5 |
A1 |
167 |
173 |
1.033 |
139 |
540 |
|
|
6 |
A2 |
890 |
876 |
0.984 |
139 |
541 |
|
|
7 |
A2 |
416 |
406 |
0.977 |
139 |
542 |
|
|
8 |
B1 |
719 |
697 |
0.970 |
139 |
543 |
|
|
9 |
B2 |
3257 |
3072 |
0.943 |
139 |
544 |
|
|
10 |
B2 |
1322 |
1303 |
0.986 |
139 |
545 |
|
|
11 |
B2 |
886 |
857 |
0.967 |
139 |
546 |
|
|
12 |
B2 |
581 |
571 |
0.983 |
139 |
547 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3276 |
3073 |
0.938 |
140 |
548 |
|
|
2 |
Ag |
1653 |
1578 |
0.955 |
140 |
549 |
|
|
3 |
Ag |
1298 |
1274 |
0.981 |
140 |
550 |
|
|
4 |
Ag |
882 |
846 |
0.959 |
140 |
551 |
|
|
5 |
Ag |
359 |
350 |
0.974 |
140 |
552 |
|
|
6 |
Au |
937 |
900 |
0.961 |
140 |
553 |
|
|
7 |
Au |
218 |
227 |
1.042 |
140 |
554 |
|
|
8 |
Bg |
770 |
763 |
0.991 |
140 |
555 |
|
|
9 |
Bu |
3272 |
3090 |
0.944 |
140 |
556 |
|
|
10 |
Bu |
1218 |
1200 |
0.985 |
140 |
557 |
|
|
11 |
Bu |
866 |
828 |
0.957 |
140 |
558 |
|
|
12 |
Bu |
239 |
250 |
1.044 |
140 |
559 |
CH3CCH |
propyne |
1 |
A1 |
3507 |
3334 |
0.951 |
141 |
560 |
|
|
2 |
A1 |
3097 |
2918 |
0.942 |
141 |
561 |
|
|
3 |
A1 |
2150 |
2124 |
0.988 |
141 |
562 |
|
|
4 |
A1 |
1412 |
1382 |
0.979 |
141 |
563 |
|
|
5 |
A1 |
957 |
931 |
0.973 |
141 |
564 |
|
|
6 |
E |
3196 |
3008 |
0.941 |
141 |
565 |
|
|
7 |
E |
1483 |
1452 |
0.979 |
141 |
566 |
|
|
8 |
E |
1058 |
1053 |
0.996 |
141 |
567 |
|
|
9 |
E |
615 |
633 |
1.030 |
141 |
568 |
|
|
10 |
E |
323 |
328 |
1.014 |
141 |
569 |
CH2CCH2 |
allene |
1 |
A1 |
3192 |
3015 |
0.945 |
142 |
570 |
|
|
2 |
A1 |
1482 |
1443 |
0.974 |
142 |
571 |
|
|
3 |
A1 |
1098 |
1073 |
0.977 |
142 |
572 |
|
|
4 |
B1 |
886 |
865 |
0.977 |
142 |
573 |
|
|
5 |
B2 |
3192 |
3007 |
0.942 |
142 |
574 |
|
|
6 |
B2 |
2053 |
1957 |
0.953 |
142 |
575 |
|
|
7 |
B2 |
1427 |
1398 |
0.980 |
142 |
576 |
|
|
8 |
E |
3293 |
3086 |
0.937 |
142 |
577 |
|
|
9 |
E |
1014 |
999 |
0.985 |
142 |
578 |
|
|
10 |
E |
848 |
841 |
0.992 |
142 |
579 |
|
|
11 |
E |
361 |
355 |
0.984 |
142 |
580 |
C3H4 |
cyclopropene |
1 |
A1 |
3349 |
3158 |
0.943 |
143 |
581 |
|
|
2 |
A1 |
3116 |
2909 |
0.934 |
143 |
582 |
|
|
3 |
A1 |
1691 |
1653 |
0.977 |
143 |
583 |
|
|
4 |
A1 |
1518 |
1483 |
0.977 |
143 |
584 |
|
|
5 |
A1 |
1185 |
1110 |
0.937 |
143 |
585 |
|
|
6 |
A1 |
929 |
905 |
0.975 |
143 |
586 |
|
|
7 |
A2 |
1020 |
996 |
0.977 |
143 |
587 |
|
|
8 |
A2 |
831 |
820 |
0.987 |
143 |
588 |
|
|
9 |
B1 |
3202 |
2995 |
0.935 |
143 |
589 |
|
|
10 |
B1 |
1107 |
1088 |
0.983 |
143 |
590 |
|
|
11 |
B1 |
585 |
569 |
0.973 |
143 |
591 |
|
|
12 |
B2 |
3305 |
3124 |
0.945 |
143 |
592 |
|
|
13 |
B2 |
1069 |
1043 |
0.976 |
143 |
593 |
|
|
14 |
B2 |
1031 |
1011 |
0.980 |
143 |
594 |
|
|
15 |
B2 |
800 |
769 |
0.961 |
143 |
595 |
CH3NH2 |
methyl amine |
1 |
A' |
3520 |
3361 |
0.955 |
144 |
596 |
|
|
2 |
A' |
3143 |
2961 |
0.942 |
144 |
597 |
|
|
3 |
A' |
3039 |
2820 |
0.928 |
144 |
598 |
|
|
4 |
A' |
1665 |
1623 |
0.975 |
144 |
599 |
|
|
5 |
A' |
1506 |
1473 |
0.978 |
144 |
600 |
|
|
6 |
A' |
1464 |
1430 |
0.977 |
144 |
601 |
|
|
7 |
A' |
1202 |
1130 |
0.940 |
144 |
602 |
|
|
8 |
A' |
1096 |
1044 |
0.952 |
144 |
603 |
|
|
9 |
A' |
909 |
780 |
0.858 |
144 |
604 |
|
|
10 |
A" |
3612 |
3427 |
0.949 |
144 |
605 |
|
|
11 |
A" |
3189 |
2985 |
0.936 |
144 |
606 |
|
|
12 |
A" |
1525 |
1485 |
0.974 |
144 |
607 |
|
|
13 |
A" |
1370 |
1335 |
0.975 |
144 |
608 |
|
|
14 |
A" |
989 |
|
|
144 |
609 |
|
|
15 |
A" |
347 |
268 |
0.771 |
144 |
610 |
C3H3N |
acrylonitrile |
1 |
A' |
3325 |
3125 |
0.940 |
145 |
611 |
|
|
2 |
A' |
3248 |
3078 |
0.948 |
145 |
612 |
|
|
3 |
A' |
3211 |
3042 |
0.947 |
145 |
613 |
|
|
4 |
A' |
2183 |
2239 |
1.026 |
145 |
614 |
|
|
5 |
A' |
1677 |
1615 |
0.963 |
145 |
615 |
|
|
6 |
A' |
1442 |
1416 |
0.982 |
145 |
616 |
|
|
7 |
A' |
1311 |
1282 |
0.978 |
145 |
617 |
|
|
8 |
A' |
1104 |
1096 |
0.993 |
145 |
618 |
|
|
9 |
A' |
888 |
869 |
0.979 |
145 |
619 |
|
|
10 |
A' |
558 |
570 |
1.022 |
145 |
620 |
|
|
11 |
A' |
226 |
242 |
1.070 |
145 |
621 |
|
|
12 |
A" |
1007 |
972 |
0.965 |
145 |
622 |
|
|
13 |
A" |
961 |
954 |
0.993 |
145 |
623 |
|
|
14 |
A" |
695 |
683 |
0.983 |
145 |
624 |
|
|
15 |
A" |
335 |
362 |
1.082 |
145 |
625 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3228 |
3014 |
0.934 |
146 |
626 |
|
|
2 |
A' |
3090 |
2923 |
0.946 |
146 |
627 |
|
|
3 |
A' |
2951 |
2716 |
0.920 |
146 |
628 |
|
|
4 |
A' |
1800 |
1743 |
0.968 |
146 |
629 |
|
|
5 |
A' |
1461 |
1433 |
0.981 |
146 |
630 |
|
|
6 |
A' |
1433 |
1395 |
0.974 |
146 |
631 |
|
|
7 |
A' |
1377 |
1352 |
0.982 |
146 |
632 |
|
|
8 |
A' |
1137 |
1114 |
0.980 |
146 |
633 |
|
|
9 |
A' |
909 |
867 |
0.954 |
146 |
634 |
|
|
10 |
A' |
504 |
509 |
1.009 |
146 |
635 |
|
|
11 |
A" |
3184 |
2964 |
0.931 |
146 |
636 |
|
|
12 |
A" |
1476 |
1431 |
0.970 |
146 |
637 |
|
|
13 |
A" |
1133 |
1102 |
0.973 |
146 |
638 |
|
|
14 |
A" |
779 |
764 |
0.981 |
146 |
639 |
|
|
15 |
A" |
171 |
150 |
0.876 |
146 |
640 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3161 |
3006 |
0.951 |
147 |
641 |
|
|
2 |
A1 |
1554 |
1467 |
0.944 |
147 |
642 |
|
|
3 |
A1 |
1319 |
1267 |
0.960 |
147 |
643 |
|
|
4 |
A1 |
1158 |
1146 |
0.989 |
147 |
644 |
|
|
5 |
A1 |
913 |
857 |
0.939 |
147 |
645 |
|
|
6 |
A2 |
3253 |
3063 |
0.942 |
147 |
646 |
|
|
7 |
A2 |
1177 |
1050 |
0.892 |
147 |
647 |
|
|
8 |
A2 |
1047 |
1020 |
0.974 |
147 |
648 |
|
|
9 |
B1 |
3268 |
3065 |
0.938 |
147 |
649 |
|
|
10 |
B1 |
1173 |
1146 |
0.977 |
147 |
650 |
|
|
11 |
B1 |
824 |
797 |
0.967 |
147 |
651 |
|
|
12 |
B2 |
3151 |
3006 |
0.954 |
147 |
652 |
|
|
13 |
B2 |
1508 |
1459 |
0.968 |
147 |
653 |
|
|
14 |
B2 |
1147 |
1159 |
1.011 |
147 |
654 |
|
|
15 |
B2 |
863 |
824 |
0.954 |
147 |
655 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3255 |
3043 |
0.935 |
148 |
656 |
|
|
2 |
A' |
3119 |
2955 |
0.947 |
148 |
657 |
|
|
3 |
A' |
1920 |
1870 |
0.974 |
148 |
658 |
|
|
4 |
A' |
1470 |
1440 |
0.979 |
148 |
659 |
|
|
5 |
A' |
1406 |
1378 |
0.980 |
148 |
660 |
|
|
6 |
A' |
1233 |
1188 |
0.964 |
148 |
661 |
|
|
7 |
A' |
1016 |
1000 |
0.985 |
148 |
662 |
|
|
8 |
A' |
855 |
826 |
0.967 |
148 |
663 |
|
|
9 |
A' |
603 |
598 |
0.991 |
148 |
664 |
|
|
10 |
A' |
413 |
420 |
1.018 |
148 |
665 |
|
|
11 |
A" |
3216 |
3004 |
0.934 |
148 |
666 |
|
|
12 |
A" |
1480 |
1437 |
0.971 |
148 |
667 |
|
|
13 |
A" |
1069 |
1054 |
0.986 |
148 |
668 |
|
|
14 |
A" |
575 |
567 |
0.986 |
148 |
669 |
|
|
15 |
A" |
143 |
123 |
0.861 |
148 |
670 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
747 |
774 |
1.035 |
149 |
671 |
|
|
2 |
Eg |
668 |
642 |
0.961 |
149 |
672 |
|
|
3 |
T1u |
998 |
948 |
0.949 |
149 |
673 |
|
|
4 |
T1u |
586 |
616 |
1.050 |
149 |
674 |
|
|
5 |
T2g |
489 |
525 |
1.074 |
149 |
675 |
|
|
6 |
T2u |
333 |
347 |
1.043 |
149 |
676 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3240 |
3027 |
0.934 |
150 |
677 |
|
|
2 |
A' |
3112 |
2948 |
0.947 |
150 |
678 |
|
|
3 |
A' |
1877 |
1818 |
0.969 |
150 |
679 |
|
|
4 |
A' |
1463 |
1415 |
0.967 |
150 |
680 |
|
|
5 |
A' |
1387 |
1368 |
0.986 |
150 |
681 |
|
|
6 |
A' |
1129 |
1108 |
0.982 |
150 |
682 |
|
|
7 |
A' |
981 |
956 |
0.975 |
150 |
683 |
|
|
8 |
A' |
611 |
604 |
0.989 |
150 |
684 |
|
|
9 |
A' |
443 |
445 |
1.004 |
150 |
685 |
|
|
10 |
A' |
351 |
348 |
0.992 |
150 |
686 |
|
|
11 |
A" |
3219 |
2990 |
0.929 |
150 |
687 |
|
|
12 |
A" |
1472 |
1431 |
0.972 |
150 |
688 |
|
|
13 |
A" |
1043 |
1032 |
0.989 |
150 |
689 |
|
|
14 |
A" |
523 |
518 |
0.990 |
150 |
690 |
|
|
15 |
A" |
164 |
166 |
1.011 |
150 |
691 |
C2H6 |
Ethane |
1 |
A1g |
3095 |
2954 |
0.954 |
151 |
692 |
|
|
2 |
A1g |
1433 |
1388 |
0.969 |
151 |
693 |
|
|
3 |
A1g |
1044 |
995 |
0.953 |
151 |
694 |
|
|
4 |
A1u |
334 |
289 |
0.864 |
151 |
695 |
|
|
5 |
A2u |
3092 |
2896 |
0.937 |
151 |
696 |
|
|
6 |
A2u |
1400 |
1379 |
0.985 |
151 |
697 |
|
|
7 |
Eg |
3179 |
2969 |
0.934 |
151 |
698 |
|
|
8 |
Eg |
1506 |
1468 |
0.974 |
151 |
699 |
|
|
9 |
Eg |
1225 |
1190 |
0.972 |
151 |
700 |
|
|
10 |
Eu |
3199 |
2985 |
0.933 |
151 |
701 |
|
|
11 |
Eu |
1507 |
1469 |
0.975 |
151 |
702 |
|
|
12 |
Eu |
825 |
822 |
0.996 |
151 |
703 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3096 |
2898 |
0.936 |
152 |
704 |
|
|
2 |
A1 |
2281 |
2166 |
0.950 |
152 |
705 |
|
|
3 |
A1 |
1287 |
1260 |
0.979 |
152 |
706 |
|
|
4 |
A1 |
966 |
940 |
0.973 |
152 |
707 |
|
|
5 |
A1 |
709 |
700 |
0.987 |
152 |
708 |
|
|
6 |
A2 |
213 |
187 |
0.877 |
152 |
709 |
|
|
7 |
E |
3204 |
2982 |
0.931 |
152 |
710 |
|
|
8 |
E |
2285 |
2169 |
0.949 |
152 |
711 |
|
|
9 |
E |
1463 |
1403 |
0.959 |
152 |
712 |
|
|
10 |
E |
985 |
980 |
0.995 |
152 |
713 |
|
|
11 |
E |
895 |
868 |
0.970 |
152 |
714 |
|
|
12 |
E |
519 |
540 |
1.040 |
152 |
715 |
Si2H6 |
disilane |
1 |
A1g |
2279 |
2152 |
0.944 |
153 |
716 |
|
|
2 |
A1g |
944 |
909 |
0.963 |
153 |
717 |
|
|
3 |
A1g |
440 |
434 |
0.987 |
153 |
718 |
|
|
4 |
A1u |
138 |
131 |
0.947 |
153 |
719 |
|
|
5 |
A2u |
2271 |
2154 |
0.948 |
153 |
720 |
|
|
6 |
A2u |
869 |
844 |
0.970 |
153 |
721 |
|
|
7 |
Eg |
2284 |
2155 |
0.943 |
153 |
722 |
|
|
8 |
Eg |
965 |
929 |
0.963 |
153 |
723 |
|
|
9 |
Eg |
645 |
625 |
0.969 |
153 |
724 |
|
|
10 |
Eu |
2292 |
2179 |
0.950 |
153 |
725 |
|
|
11 |
Eu |
980 |
940 |
0.959 |
153 |
726 |
|
|
12 |
Eu |
375 |
379 |
1.013 |
153 |
727 |
C2H5N |
Aziridine |
1 |
A' |
3532 |
3338 |
0.945 |
154 |
728 |
|
|
2 |
A' |
3285 |
3079 |
0.937 |
154 |
729 |
|
|
3 |
A' |
3180 |
3015 |
0.948 |
154 |
730 |
|
|
4 |
A' |
1535 |
1482 |
0.965 |
154 |
731 |
|
|
5 |
A' |
1315 |
1237 |
0.940 |
154 |
732 |
|
|
6 |
A' |
1261 |
1211 |
0.960 |
154 |
733 |
|
|
7 |
A' |
1122 |
1090 |
0.971 |
154 |
734 |
|
|
8 |
A' |
1017 |
998 |
0.981 |
154 |
735 |
|
|
9 |
A' |
899 |
856 |
0.952 |
154 |
736 |
|
|
10 |
A' |
780 |
773 |
0.991 |
154 |
737 |
|
|
11 |
A" |
3272 |
3079 |
0.941 |
154 |
738 |
|
|
12 |
A" |
3172 |
3015 |
0.951 |
154 |
739 |
|
|
13 |
A" |
1495 |
1463 |
0.979 |
154 |
740 |
|
|
14 |
A" |
1272 |
1268 |
0.997 |
154 |
741 |
|
|
15 |
A" |
1158 |
1131 |
0.976 |
154 |
742 |
|
|
16 |
A" |
1104 |
1095 |
0.992 |
154 |
743 |
|
|
17 |
A" |
916 |
904 |
0.987 |
154 |
744 |
|
|
18 |
A" |
884 |
817 |
0.924 |
154 |
745 |
CH3COOH |
Acetic acid |
1 |
A' |
3770 |
3583 |
0.950 |
155 |
746 |
|
|
2 |
A' |
3252 |
3051 |
0.938 |
155 |
747 |
|
|
3 |
A' |
3116 |
2944 |
0.945 |
155 |
748 |
|
|
4 |
A' |
1859 |
1788 |
0.962 |
155 |
749 |
|
|
5 |
A' |
1473 |
1430 |
0.971 |
155 |
750 |
|
|
6 |
A' |
1429 |
1382 |
0.967 |
155 |
751 |
|
|
7 |
A' |
1352 |
1264 |
0.935 |
155 |
752 |
|
|
8 |
A' |
1228 |
1182 |
0.962 |
155 |
753 |
|
|
9 |
A' |
1003 |
989 |
0.986 |
155 |
754 |
|
|
10 |
A' |
885 |
847 |
0.957 |
155 |
755 |
|
|
11 |
A' |
588 |
657 |
1.117 |
155 |
756 |
|
|
12 |
A' |
421 |
|
|
155 |
757 |
|
|
13 |
A" |
3212 |
2996 |
0.933 |
155 |
758 |
|
|
14 |
A" |
1480 |
1430 |
0.966 |
155 |
759 |
|
|
15 |
A" |
1067 |
1048 |
0.982 |
155 |
760 |
|
|
16 |
A" |
681 |
642 |
0.943 |
155 |
761 |
|
|
17 |
A" |
553 |
534 |
0.966 |
155 |
762 |
|
|
18 |
A" |
88 |
93 |
1.053 |
155 |
763 |
CH3OCHO |
methyl formate |
1 |
A' |
3248 |
3045 |
0.937 |
156 |
764 |
|
|
2 |
A' |
3117 |
2969 |
0.952 |
156 |
765 |
|
|
3 |
A' |
3109 |
2943 |
0.947 |
156 |
766 |
|
|
4 |
A' |
1819 |
1754 |
0.964 |
156 |
767 |
|
|
5 |
A' |
1504 |
1454 |
0.967 |
156 |
768 |
|
|
6 |
A' |
1473 |
1445 |
0.981 |
156 |
769 |
|
|
7 |
A' |
1407 |
1371 |
0.974 |
156 |
770 |
|
|
8 |
A' |
1251 |
1207 |
0.965 |
156 |
771 |
|
|
9 |
A' |
1197 |
1166 |
0.974 |
156 |
772 |
|
|
10 |
A' |
974 |
925 |
0.950 |
156 |
773 |
|
|
11 |
A' |
778 |
767 |
0.986 |
156 |
774 |
|
|
12 |
A' |
315 |
318 |
1.011 |
156 |
775 |
|
|
13 |
A" |
3210 |
3012 |
0.938 |
156 |
776 |
|
|
14 |
A" |
1492 |
1443 |
0.967 |
156 |
777 |
|
|
15 |
A" |
1186 |
1168 |
0.985 |
156 |
778 |
|
|
16 |
A" |
1050 |
1032 |
0.983 |
156 |
779 |
|
|
17 |
A" |
348 |
332 |
0.955 |
156 |
780 |
|
|
18 |
A" |
158 |
130 |
0.822 |
156 |
781 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1489 |
1420 |
0.954 |
157 |
782 |
|
|
2 |
A1g |
812 |
809 |
0.996 |
157 |
783 |
|
|
3 |
A1g |
356 |
349 |
0.979 |
157 |
784 |
|
|
4 |
A1u |
65 |
68 |
1.045 |
157 |
785 |
|
|
5 |
A2u |
1137 |
1117 |
0.982 |
157 |
786 |
|
|
6 |
A2u |
716 |
714 |
0.997 |
157 |
787 |
|
|
7 |
Eg |
1277 |
1237 |
0.969 |
157 |
788 |
|
|
8 |
Eg |
625 |
620 |
0.992 |
157 |
789 |
|
|
9 |
Eg |
382 |
380 |
0.996 |
157 |
790 |
|
|
10 |
Eu |
1294 |
1251 |
0.966 |
157 |
791 |
|
|
11 |
Eu |
526 |
523 |
0.993 |
157 |
792 |
|
|
12 |
Eu |
215 |
216 |
1.005 |
157 |
793 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3197 |
2967 |
0.928 |
158 |
794 |
|
|
2 |
A' |
3136 |
2946 |
0.940 |
158 |
795 |
|
|
3 |
A' |
3097 |
2881 |
0.930 |
158 |
796 |
|
|
4 |
A' |
1502 |
1463 |
0.974 |
158 |
797 |
|
|
5 |
A' |
1495 |
1448 |
0.969 |
158 |
798 |
|
|
6 |
A' |
1411 |
1385 |
0.981 |
158 |
799 |
|
|
7 |
A' |
1328 |
1289 |
0.970 |
158 |
800 |
|
|
8 |
A' |
1110 |
1081 |
0.974 |
158 |
801 |
|
|
9 |
A' |
1010 |
974 |
0.965 |
158 |
802 |
|
|
10 |
A' |
714 |
677 |
0.949 |
158 |
803 |
|
|
11 |
A' |
339 |
336 |
0.991 |
158 |
804 |
|
|
12 |
A" |
3220 |
3014 |
0.936 |
158 |
805 |
|
|
13 |
A" |
3198 |
2986 |
0.934 |
158 |
806 |
|
|
14 |
A" |
1487 |
1448 |
0.974 |
158 |
807 |
|
|
15 |
A" |
1283 |
1251 |
0.975 |
158 |
808 |
|
|
16 |
A" |
1087 |
974 |
0.896 |
158 |
809 |
|
|
17 |
A" |
792 |
786 |
0.992 |
158 |
810 |
|
|
18 |
A" |
282 |
251 |
0.889 |
158 |
811 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3143 |
2957 |
0.941 |
159 |
812 |
|
|
1 |
A |
3201 |
3005 |
0.939 |
159 |
813 |
|
|
2 |
A |
3132 |
2957 |
0.944 |
159 |
814 |
|
|
2 |
Ag |
1493 |
1445 |
0.968 |
159 |
815 |
|
|
3 |
Ag |
1349 |
1304 |
0.967 |
159 |
816 |
|
|
3 |
A |
1474 |
1433 |
0.972 |
159 |
817 |
|
|
4 |
A |
1354 |
1315 |
0.971 |
159 |
818 |
|
|
4 |
Ag |
1101 |
1052 |
0.955 |
159 |
819 |
|
|
5 |
Ag |
814 |
754 |
0.926 |
159 |
820 |
|
|
5 |
A |
1243 |
1207 |
0.971 |
159 |
821 |
|
|
6 |
A |
1080 |
1027 |
0.951 |
159 |
822 |
|
|
6 |
Ag |
311 |
300 |
0.964 |
159 |
823 |
|
|
7 |
Au |
3232 |
3005 |
0.930 |
159 |
824 |
|
|
7 |
A |
978 |
948 |
0.970 |
159 |
825 |
|
|
8 |
A |
702 |
669 |
0.953 |
159 |
826 |
|
|
8 |
Au |
1153 |
1123 |
0.974 |
159 |
827 |
|
|
9 |
Au |
784 |
773 |
0.986 |
159 |
828 |
|
|
9 |
A |
269 |
272 |
1.013 |
159 |
829 |
|
|
10 |
A |
123 |
125 |
1.016 |
159 |
830 |
|
|
10 |
Au |
128 |
123 |
0.964 |
159 |
831 |
|
|
11 |
Bg |
3212 |
3005 |
0.935 |
159 |
832 |
|
|
11 |
B |
3211 |
3005 |
0.936 |
159 |
833 |
|
|
12 |
B |
3124 |
2957 |
0.946 |
159 |
834 |
|
|
12 |
Bg |
1302 |
1264 |
0.971 |
159 |
835 |
|
|
13 |
Bg |
1022 |
989 |
0.968 |
159 |
836 |
|
|
13 |
B |
1469 |
1436 |
0.977 |
159 |
837 |
|
|
14 |
B |
1326 |
1292 |
0.974 |
159 |
838 |
|
|
14 |
Bu |
3148 |
2983 |
0.947 |
159 |
839 |
|
|
15 |
Bu |
1492 |
1461 |
0.979 |
159 |
840 |
|
|
15 |
B |
1172 |
1146 |
0.977 |
159 |
841 |
|
|
16 |
B |
912 |
890 |
0.976 |
159 |
842 |
|
|
16 |
Bu |
1258 |
1232 |
0.980 |
159 |
843 |
|
|
17 |
Bu |
774 |
728 |
0.941 |
159 |
844 |
|
|
17 |
B |
727 |
693 |
0.954 |
159 |
845 |
|
|
18 |
B |
420 |
410 |
0.977 |
159 |
846 |
|
|
18 |
Bu |
220 |
222 |
1.010 |
159 |
847 |
C3H6 |
Cyclopropane |
1 |
A1' |
3204 |
3038 |
0.948 |
160 |
848 |
|
|
2 |
A1' |
1530 |
1479 |
0.967 |
160 |
849 |
|
|
3 |
A1' |
1243 |
1188 |
0.956 |
160 |
850 |
|
|
4 |
A1" |
1161 |
1126 |
0.970 |
160 |
851 |
|
|
5 |
A2' |
1077 |
1070 |
0.994 |
160 |
852 |
|
|
6 |
A2" |
3311 |
3103 |
0.937 |
160 |
853 |
|
|
7 |
A2" |
861 |
854 |
0.991 |
160 |
854 |
|
|
8 |
E' |
3193 |
3025 |
0.947 |
160 |
855 |
|
|
9 |
E' |
1466 |
1438 |
0.981 |
160 |
856 |
|
|
10 |
E' |
1060 |
1029 |
0.971 |
160 |
857 |
|
|
11 |
E' |
918 |
866 |
0.944 |
160 |
858 |
|
|
12 |
E" |
3292 |
3082 |
0.936 |
160 |
859 |
|
|
13 |
E" |
1211 |
1188 |
0.981 |
160 |
860 |
|
|
14 |
E" |
738 |
739 |
1.002 |
160 |
861 |
CH2CHCH3 |
Propene |
1 |
A' |
3300 |
3090 |
0.936 |
161 |
862 |
|
|
2 |
A' |
3205 |
3013 |
0.940 |
161 |
863 |
|
|
3 |
A' |
3193 |
2991 |
0.937 |
161 |
864 |
|
|
4 |
A' |
3185 |
2954 |
0.927 |
161 |
865 |
|
|
5 |
A' |
3081 |
2871 |
0.932 |
161 |
866 |
|
|
6 |
A' |
1718 |
1650 |
0.960 |
161 |
867 |
|
|
7 |
A' |
1493 |
1470 |
0.984 |
161 |
868 |
|
|
8 |
A' |
1453 |
1420 |
0.977 |
161 |
869 |
|
|
9 |
A' |
1403 |
1378 |
0.982 |
161 |
870 |
|
|
10 |
A' |
1318 |
1297 |
0.984 |
161 |
871 |
|
|
11 |
A' |
1194 |
1171 |
0.981 |
161 |
872 |
|
|
12 |
A' |
951 |
963 |
1.013 |
161 |
873 |
|
|
13 |
A' |
940 |
920 |
0.978 |
161 |
874 |
|
|
14 |
A' |
421 |
428 |
1.016 |
161 |
875 |
|
|
15 |
A" |
3167 |
2954 |
0.933 |
161 |
876 |
|
|
16 |
A" |
1480 |
1443 |
0.975 |
161 |
877 |
|
|
17 |
A" |
1065 |
1045 |
0.981 |
161 |
878 |
|
|
18 |
A" |
1029 |
991 |
0.963 |
161 |
879 |
|
|
19 |
A" |
927 |
912 |
0.984 |
161 |
880 |
|
|
20 |
A" |
586 |
578 |
0.987 |
161 |
881 |
|
|
21 |
A" |
206 |
174 |
0.844 |
161 |
882 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3201 |
2996 |
0.936 |
162 |
883 |
|
|
2 |
A1 |
3034 |
2817 |
0.929 |
162 |
884 |
|
|
3 |
A1 |
1526 |
1464 |
0.959 |
162 |
885 |
|
|
4 |
A1 |
1495 |
1452 |
0.971 |
162 |
886 |
|
|
5 |
A1 |
1277 |
1244 |
0.974 |
162 |
887 |
|
|
6 |
A1 |
983 |
928 |
0.944 |
162 |
888 |
|
|
7 |
A1 |
424 |
418 |
0.985 |
162 |
889 |
|
|
8 |
A2 |
3101 |
2952 |
0.952 |
162 |
890 |
|
|
9 |
A2 |
1486 |
1464 |
0.985 |
162 |
891 |
|
|
10 |
A2 |
1172 |
1150 |
0.981 |
162 |
892 |
|
|
11 |
A2 |
218 |
203 |
0.932 |
162 |
893 |
|
|
12 |
B1 |
3095 |
2925 |
0.945 |
162 |
894 |
|
|
13 |
B1 |
1494 |
1464 |
0.980 |
162 |
895 |
|
|
14 |
B1 |
1204 |
1179 |
0.979 |
162 |
896 |
|
|
15 |
B1 |
269 |
242 |
0.899 |
162 |
897 |
|
|
16 |
B2 |
3200 |
2996 |
0.936 |
162 |
898 |
|
|
17 |
B2 |
3023 |
2817 |
0.932 |
162 |
899 |
|
|
18 |
B2 |
1504 |
1464 |
0.973 |
162 |
900 |
|
|
19 |
B2 |
1463 |
1452 |
0.993 |
162 |
901 |
|
|
20 |
B2 |
1229 |
1227 |
0.998 |
162 |
902 |
|
|
21 |
B2 |
1140 |
1102 |
0.967 |
162 |
903 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3195 |
2966 |
0.928 |
163 |
904 |
|
|
1 |
A |
3204 |
2980 |
0.930 |
163 |
905 |
|
|
2 |
A |
3183 |
2967 |
0.932 |
163 |
906 |
|
|
2 |
A' |
3112 |
2872 |
0.923 |
163 |
907 |
|
|
3 |
A' |
3093 |
2872 |
0.928 |
163 |
908 |
|
|
3 |
A |
3171 |
2930 |
0.924 |
163 |
909 |
|
|
4 |
A |
3113 |
2902 |
0.932 |
163 |
910 |
|
|
4 |
A' |
2786 |
2580 |
0.926 |
163 |
911 |
|
|
5 |
A' |
1505 |
1453 |
0.966 |
163 |
912 |
|
|
5 |
A |
3086 |
2875 |
0.932 |
163 |
913 |
|
|
6 |
A |
2779 |
2591 |
0.932 |
163 |
914 |
|
|
6 |
A' |
1492 |
1453 |
0.974 |
163 |
915 |
|
|
7 |
A' |
1410 |
1385 |
0.982 |
163 |
916 |
|
|
7 |
A |
1498 |
1462 |
0.976 |
163 |
917 |
|
|
8 |
A |
1492 |
1452 |
0.973 |
163 |
918 |
|
|
8 |
A' |
1307 |
1309 |
1.001 |
163 |
919 |
|
|
9 |
A' |
1127 |
1097 |
0.973 |
163 |
920 |
|
|
9 |
A |
1478 |
1437 |
0.972 |
163 |
921 |
|
|
10 |
A |
1409 |
1377 |
0.977 |
163 |
922 |
|
|
10 |
A' |
1021 |
978 |
0.958 |
163 |
923 |
|
|
11 |
A' |
873 |
870 |
0.997 |
163 |
924 |
|
|
11 |
A |
1312 |
1269 |
0.967 |
163 |
925 |
|
|
12 |
A |
1287 |
1246 |
0.968 |
163 |
926 |
|
|
12 |
A' |
706 |
660 |
0.935 |
163 |
927 |
|
|
13 |
A' |
308 |
332 |
1.076 |
163 |
928 |
|
|
13 |
A |
1131 |
1093 |
0.967 |
163 |
929 |
|
|
14 |
A |
1086 |
1051 |
0.967 |
163 |
930 |
|
|
14 |
A" |
3201 |
2966 |
0.927 |
163 |
931 |
|
|
15 |
A" |
3173 |
2930 |
0.923 |
163 |
932 |
|
|
15 |
A |
1009 |
970 |
0.961 |
163 |
933 |
|
|
16 |
A |
878 |
867 |
0.987 |
163 |
934 |
|
|
16 |
A" |
1493 |
1453 |
0.973 |
163 |
935 |
|
|
17 |
A" |
1275 |
1269 |
0.995 |
163 |
936 |
|
|
17 |
A |
746 |
735 |
0.985 |
163 |
937 |
|
|
18 |
A |
687 |
658 |
0.957 |
163 |
938 |
|
|
18 |
A" |
1053 |
1049 |
0.996 |
163 |
939 |
|
|
19 |
A" |
795 |
745 |
0.937 |
163 |
940 |
|
|
19 |
A |
336 |
319 |
0.950 |
163 |
941 |
|
|
20 |
A |
280 |
|
|
163 |
942 |
|
|
21 |
A |
226 |
|
|
163 |
943 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3208 |
2997 |
0.934 |
164 |
944 |
|
|
2 |
A1 |
3081 |
2925 |
0.949 |
164 |
945 |
|
|
3 |
A1 |
1489 |
1447 |
0.972 |
164 |
946 |
|
|
4 |
A1 |
1370 |
1337 |
0.976 |
164 |
947 |
|
|
5 |
A1 |
1054 |
1030 |
0.977 |
164 |
948 |
|
|
6 |
A1 |
728 |
695 |
0.955 |
164 |
949 |
|
|
7 |
A1 |
268 |
280 |
1.046 |
164 |
950 |
|
|
8 |
A2 |
3190 |
2970 |
0.931 |
164 |
951 |
|
|
9 |
A2 |
1464 |
1427 |
0.975 |
164 |
952 |
|
|
10 |
A2 |
961 |
946 |
0.985 |
164 |
953 |
|
|
11 |
A2 |
182 |
175 |
0.959 |
164 |
954 |
|
|
12 |
B1 |
3183 |
2970 |
0.933 |
164 |
955 |
|
|
13 |
B1 |
1474 |
1439 |
0.976 |
164 |
956 |
|
|
14 |
B1 |
999 |
973 |
0.974 |
164 |
957 |
|
|
15 |
B1 |
194 |
183 |
0.942 |
164 |
958 |
|
|
16 |
B2 |
3209 |
2999 |
0.935 |
164 |
959 |
|
|
17 |
B2 |
3086 |
2919 |
0.946 |
164 |
960 |
|
|
18 |
B2 |
1481 |
1442 |
0.974 |
164 |
961 |
|
|
19 |
B2 |
1342 |
1315 |
0.980 |
164 |
962 |
|
|
20 |
B2 |
919 |
903 |
0.983 |
164 |
963 |
|
|
21 |
B2 |
781 |
742 |
0.951 |
164 |
964 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3304 |
3087 |
0.934 |
165 |
965 |
|
|
2 |
Ag |
3203 |
3003 |
0.938 |
165 |
966 |
|
|
3 |
Ag |
3190 |
2992 |
0.938 |
165 |
967 |
|
|
4 |
Ag |
1720 |
1630 |
0.948 |
165 |
968 |
|
|
5 |
Ag |
1475 |
1438 |
0.975 |
165 |
969 |
|
|
6 |
Ag |
1309 |
1280 |
0.978 |
165 |
970 |
|
|
7 |
Ag |
1231 |
1196 |
0.971 |
165 |
971 |
|
|
8 |
Ag |
910 |
894 |
0.982 |
165 |
972 |
|
|
9 |
Ag |
511 |
512 |
1.001 |
165 |
973 |
|
|
10 |
Au |
1054 |
1013 |
0.961 |
165 |
974 |
|
|
11 |
Au |
917 |
908 |
0.990 |
165 |
975 |
|
|
12 |
Au |
536 |
522 |
0.973 |
165 |
976 |
|
|
13 |
Au |
167 |
162 |
0.972 |
165 |
977 |
|
|
14 |
Bg |
993 |
976 |
0.983 |
165 |
978 |
|
|
15 |
Bg |
919 |
912 |
0.993 |
165 |
979 |
|
|
16 |
Bg |
771 |
770 |
0.999 |
165 |
980 |
|
|
17 |
Bu |
3304 |
3101 |
0.938 |
165 |
981 |
|
|
18 |
Bu |
3206 |
3055 |
0.953 |
165 |
982 |
|
|
19 |
Bu |
3194 |
2984 |
0.934 |
165 |
983 |
|
|
20 |
Bu |
1650 |
1596 |
0.967 |
165 |
984 |
|
|
21 |
Bu |
1412 |
1381 |
0.978 |
165 |
985 |
|
|
22 |
Bu |
1306 |
1294 |
0.991 |
165 |
986 |
|
|
23 |
Bu |
994 |
990 |
0.996 |
165 |
987 |
|
|
24 |
Bu |
292 |
301 |
1.032 |
165 |
988 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3090 |
2916 |
0.944 |
166 |
989 |
|
|
2 |
A1' |
2288 |
2240 |
0.979 |
166 |
990 |
|
|
3 |
A1' |
1416 |
1380 |
0.975 |
166 |
991 |
|
|
4 |
A1' |
732 |
725 |
0.990 |
166 |
992 |
|
|
6 |
A2" |
3090 |
2938 |
0.951 |
166 |
993 |
|
|
7 |
A2" |
1414 |
1382 |
0.977 |
166 |
994 |
|
|
8 |
A2" |
1201 |
1152 |
0.959 |
166 |
995 |
|
|
9 |
E' |
3185 |
2973 |
0.933 |
166 |
996 |
|
|
10 |
E' |
1484 |
1456 |
0.981 |
166 |
997 |
|
|
11 |
E' |
1067 |
1054 |
0.987 |
166 |
998 |
|
|
12 |
E' |
198 |
213 |
1.078 |
166 |
999 |
|
|
13 |
E" |
3186 |
2966 |
0.931 |
166 |
1000 |
|
|
14 |
E" |
1484 |
1448 |
0.976 |
166 |
1001 |
|
|
15 |
E" |
1045 |
1029 |
0.985 |
166 |
1002 |
|
|
16 |
E" |
343 |
371 |
1.081 |
166 |
1003 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3207 |
3061 |
0.955 |
167 |
1004 |
|
|
2 |
A' |
3189 |
3010 |
0.944 |
167 |
1005 |
|
|
3 |
A' |
3183 |
2965 |
0.931 |
167 |
1006 |
|
|
4 |
A' |
3085 |
2905 |
0.942 |
167 |
1007 |
|
|
5 |
A' |
2057 |
1970 |
0.958 |
167 |
1008 |
|
|
6 |
A' |
1504 |
1453 |
0.966 |
167 |
1009 |
|
|
7 |
A' |
1473 |
1437 |
0.975 |
167 |
1010 |
|
|
8 |
A' |
1406 |
1389 |
0.988 |
167 |
1011 |
|
|
9 |
A' |
1358 |
1330 |
0.979 |
167 |
1012 |
|
|
10 |
A' |
1156 |
1132 |
0.979 |
167 |
1013 |
|
|
11 |
A' |
1090 |
1074 |
0.986 |
167 |
1014 |
|
|
12 |
A' |
891 |
876 |
0.983 |
167 |
1015 |
|
|
13 |
A' |
853 |
859 |
1.007 |
167 |
1016 |
|
|
14 |
A' |
560 |
555 |
0.991 |
167 |
1017 |
|
|
15 |
A' |
204 |
210 |
1.028 |
167 |
1018 |
|
|
16 |
A" |
3282 |
3061 |
0.933 |
167 |
1019 |
|
|
17 |
A" |
3171 |
2965 |
0.935 |
167 |
1020 |
|
|
18 |
A" |
1483 |
1453 |
0.980 |
167 |
1021 |
|
|
19 |
A" |
1056 |
1110 |
1.051 |
167 |
1022 |
|
|
20 |
A" |
1015 |
1011 |
0.996 |
167 |
1023 |
|
|
21 |
A" |
890 |
842 |
0.946 |
167 |
1024 |
|
|
22 |
A" |
530 |
523 |
0.987 |
167 |
1025 |
|
|
23 |
A" |
333 |
322 |
0.967 |
167 |
1026 |
C4H6 |
Cyclobutene |
1 |
A1 |
3256 |
3060 |
0.940 |
168 |
1027 |
|
|
2 |
A1 |
3104 |
2935 |
0.946 |
168 |
1028 |
|
|
3 |
A1 |
1614 |
1570 |
0.973 |
168 |
1029 |
|
|
4 |
A1 |
1487 |
1450 |
0.975 |
168 |
1030 |
|
|
5 |
A1 |
1222 |
1276 |
1.045 |
168 |
1031 |
|
|
6 |
A1 |
1148 |
1186 |
1.033 |
168 |
1032 |
|
|
7 |
A1 |
1011 |
1113 |
1.101 |
168 |
1033 |
|
|
8 |
A1 |
920 |
886 |
0.963 |
168 |
1034 |
|
|
9 |
A2 |
3160 |
2955 |
0.935 |
168 |
1035 |
|
|
10 |
A2 |
1172 |
1276 |
1.089 |
168 |
1036 |
|
|
11 |
A2 |
1026 |
1081 |
1.053 |
168 |
1037 |
|
|
12 |
A2 |
920 |
850 |
0.924 |
168 |
1038 |
|
|
13 |
A2 |
288 |
325 |
1.130 |
168 |
1039 |
|
|
14 |
B1 |
3173 |
2955 |
0.931 |
168 |
1040 |
|
|
15 |
B1 |
1101 |
1074 |
0.976 |
168 |
1041 |
|
|
16 |
B1 |
873 |
846 |
0.969 |
168 |
1042 |
|
|
17 |
B1 |
643 |
635 |
0.987 |
168 |
1043 |
|
|
18 |
B2 |
3224 |
3047 |
0.945 |
168 |
1044 |
|
|
19 |
B2 |
3098 |
2916 |
0.941 |
168 |
1045 |
|
|
20 |
B2 |
1460 |
1427 |
0.977 |
168 |
1046 |
|
|
21 |
B2 |
1330 |
1294 |
0.973 |
168 |
1047 |
|
|
22 |
B2 |
1228 |
1214 |
0.988 |
168 |
1048 |
|
|
23 |
B2 |
920 |
888 |
0.965 |
168 |
1049 |
|
|
24 |
B2 |
852 |
740 |
0.869 |
168 |
1050 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3189 |
3010 |
0.944 |
169 |
1051 |
|
|
2 |
A1 |
3173 |
3002 |
0.946 |
169 |
1052 |
|
|
3 |
A1 |
1855 |
1743 |
0.939 |
169 |
1053 |
|
|
4 |
A1 |
1488 |
1437 |
0.966 |
169 |
1054 |
|
|
5 |
A1 |
1443 |
1410 |
0.977 |
169 |
1055 |
|
|
6 |
A1 |
1082 |
1036 |
0.958 |
169 |
1056 |
|
|
7 |
A1 |
1037 |
1002 |
0.966 |
169 |
1057 |
|
|
8 |
A1 |
757 |
723 |
0.955 |
169 |
1058 |
|
|
9 |
A2 |
3266 |
3051 |
0.934 |
169 |
1059 |
|
|
10 |
A2 |
1169 |
1144 |
0.979 |
169 |
1060 |
|
|
11 |
A2 |
957 |
937 |
0.979 |
169 |
1061 |
|
|
12 |
A2 |
613 |
616 |
1.005 |
169 |
1062 |
|
|
13 |
B1 |
3278 |
3071 |
0.937 |
169 |
1063 |
|
|
14 |
B1 |
1094 |
1072 |
0.980 |
169 |
1064 |
|
|
15 |
B1 |
907 |
889 |
0.980 |
169 |
1065 |
|
|
16 |
B1 |
755 |
748 |
0.990 |
169 |
1066 |
|
|
17 |
B1 |
280 |
360 |
1.287 |
169 |
1067 |
|
|
18 |
B2 |
3293 |
3086 |
0.937 |
169 |
1068 |
|
|
19 |
B2 |
3170 |
2999 |
0.946 |
169 |
1069 |
|
|
20 |
B2 |
1443 |
1353 |
0.938 |
169 |
1070 |
|
|
21 |
B2 |
1150 |
1174 |
1.021 |
169 |
1071 |
|
|
22 |
B2 |
1065 |
1125 |
1.057 |
169 |
1072 |
|
|
23 |
B2 |
922 |
792 |
0.859 |
169 |
1073 |
|
|
24 |
B2 |
348 |
290 |
0.832 |
169 |
1074 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3499 |
3345 |
0.956 |
170 |
1075 |
|
|
2 |
A' |
3177 |
2985 |
0.940 |
170 |
1076 |
|
|
3 |
A' |
3093 |
2840 |
0.918 |
170 |
1077 |
|
|
4 |
A' |
3075 |
2860 |
0.930 |
170 |
1078 |
|
|
5 |
A' |
1661 |
1622 |
0.977 |
170 |
1079 |
|
|
6 |
A' |
1507 |
1487 |
0.987 |
170 |
1080 |
|
|
7 |
A' |
1488 |
1465 |
0.984 |
170 |
1081 |
|
|
8 |
A' |
1412 |
1378 |
0.976 |
170 |
1082 |
|
|
9 |
A' |
1381 |
1397 |
1.012 |
170 |
1083 |
|
|
10 |
A' |
1182 |
1016 |
0.860 |
170 |
1084 |
|
|
11 |
A' |
1108 |
1086 |
0.980 |
170 |
1085 |
|
|
12 |
A' |
936 |
892 |
0.953 |
170 |
1086 |
|
|
13 |
A' |
903 |
773 |
0.856 |
170 |
1087 |
|
|
14 |
A' |
404 |
403 |
0.997 |
170 |
1088 |
|
|
15 |
A" |
3593 |
3412 |
0.950 |
170 |
1089 |
|
|
16 |
A" |
3177 |
2924 |
0.920 |
170 |
1090 |
|
|
17 |
A" |
3145 |
2906 |
0.924 |
170 |
1091 |
|
|
18 |
A" |
1495 |
1455 |
0.973 |
170 |
1092 |
|
|
19 |
A" |
1405 |
1238 |
0.881 |
170 |
1093 |
|
|
20 |
A" |
1280 |
1293 |
1.010 |
170 |
1094 |
|
|
21 |
A" |
1017 |
1117 |
1.098 |
170 |
1095 |
|
|
22 |
A" |
785 |
816 |
1.040 |
170 |
1096 |
|
|
23 |
A" |
331 |
259 |
0.782 |
170 |
1097 |
|
|
24 |
A" |
273 |
218 |
0.798 |
170 |
1098 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3236 |
3055 |
0.944 |
171 |
1099 |
|
|
2 |
Ag |
1631 |
1580 |
0.969 |
171 |
1100 |
|
|
3 |
Ag |
1253 |
1233 |
0.984 |
171 |
1101 |
|
|
4 |
Ag |
1033 |
1016 |
0.983 |
171 |
1102 |
|
|
5 |
Ag |
596 |
602 |
1.009 |
171 |
1103 |
|
|
6 |
Au |
992 |
960 |
0.968 |
171 |
1104 |
|
|
7 |
Au |
348 |
350 |
1.006 |
171 |
1105 |
|
|
8 |
B1g |
948 |
927 |
0.978 |
171 |
1106 |
|
|
9 |
B1u |
3215 |
3012 |
0.937 |
171 |
1107 |
|
|
10 |
B1u |
1507 |
1483 |
0.984 |
171 |
1108 |
|
|
11 |
B1u |
1162 |
1130 |
0.973 |
171 |
1109 |
|
|
12 |
B1u |
1035 |
1018 |
0.984 |
171 |
1110 |
|
|
13 |
B2g |
980 |
983 |
1.003 |
171 |
1111 |
|
|
14 |
B2g |
766 |
756 |
0.987 |
171 |
1112 |
|
|
15 |
B2u |
3231 |
3069 |
0.950 |
171 |
1113 |
|
|
16 |
B2u |
1451 |
1411 |
0.973 |
171 |
1114 |
|
|
17 |
B2u |
1364 |
1149 |
0.842 |
171 |
1115 |
|
|
18 |
B2u |
1090 |
1063 |
0.975 |
171 |
1116 |
|
|
19 |
B3g |
3215 |
3040 |
0.946 |
171 |
1117 |
|
|
20 |
B3g |
1571 |
1525 |
0.970 |
171 |
1118 |
|
|
21 |
B3g |
1361 |
1346 |
0.989 |
171 |
1119 |
|
|
22 |
B3g |
708 |
704 |
0.994 |
171 |
1120 |
|
|
23 |
B3u |
806 |
785 |
0.974 |
171 |
1121 |
|
|
24 |
B3u |
421 |
418 |
0.993 |
171 |
1122 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3856 |
3675 |
0.953 |
172 |
1123 |
|
|
2 |
A |
3302 |
3102 |
0.939 |
172 |
1124 |
|
|
3 |
A |
3219 |
3022 |
0.939 |
172 |
1125 |
|
|
4 |
A |
3195 |
2995 |
0.938 |
172 |
1126 |
|
|
5 |
A |
3078 |
2934 |
0.953 |
172 |
1127 |
|
|
6 |
A |
3027 |
2866 |
0.947 |
172 |
1128 |
|
|
7 |
A |
1719 |
1654 |
0.962 |
172 |
1129 |
|
|
8 |
A |
1515 |
1453 |
0.959 |
172 |
1130 |
|
|
9 |
A |
1484 |
1414 |
0.952 |
172 |
1131 |
|
|
10 |
A |
1428 |
1384 |
0.969 |
172 |
1132 |
|
|
11 |
A |
1303 |
1320 |
1.013 |
172 |
1133 |
|
|
12 |
A |
1285 |
1293 |
1.006 |
172 |
1134 |
|
|
13 |
A |
1251 |
1191 |
0.952 |
172 |
1135 |
|
|
14 |
A |
1170 |
1132 |
0.967 |
172 |
1136 |
|
|
15 |
A |
1104 |
1110 |
1.005 |
172 |
1137 |
|
|
16 |
A |
1026 |
1038 |
1.011 |
172 |
1138 |
|
|
17 |
A |
976 |
995 |
1.020 |
172 |
1139 |
|
|
18 |
A |
941 |
919 |
0.977 |
172 |
1140 |
|
|
19 |
A |
929 |
885 |
0.952 |
172 |
1141 |
|
|
20 |
A |
656 |
606 |
0.924 |
172 |
1142 |
|
|
22 |
A |
331 |
377 |
1.141 |
172 |
1143 |
|
|
23 |
A |
268 |
277 |
1.035 |
172 |
1144 |
|
|
24 |
A |
114 |
188 |
1.646 |
172 |
1145 |
CH3CH2CHO |
Propanal |
1 |
A' |
3207 |
2981 |
0.930 |
173 |
1146 |
|
|
2 |
A' |
3106 |
2904 |
0.935 |
173 |
1147 |
|
|
3 |
A' |
3078 |
2895 |
0.940 |
173 |
1148 |
|
|
4 |
A' |
2951 |
2809 |
0.952 |
173 |
1149 |
|
|
5 |
A' |
1792 |
1743 |
0.972 |
173 |
1150 |
|
|
6 |
A' |
1500 |
1460 |
0.973 |
173 |
1151 |
|
|
7 |
A' |
1455 |
1416 |
0.973 |
173 |
1152 |
|
|
8 |
A' |
1424 |
1390 |
0.976 |
173 |
1153 |
|
|
9 |
A' |
1410 |
1376 |
0.976 |
173 |
1154 |
|
|
10 |
A' |
1374 |
1335 |
0.971 |
173 |
1155 |
|
|
11 |
A' |
1131 |
1093 |
0.967 |
173 |
1156 |
|
|
12 |
A' |
1014 |
993 |
0.980 |
173 |
1157 |
|
|
13 |
A' |
888 |
848 |
0.955 |
173 |
1158 |
|
|
14 |
A' |
674 |
668 |
0.992 |
173 |
1159 |
|
|
15 |
A' |
263 |
271 |
1.029 |
173 |
1160 |
|
|
16 |
A" |
3208 |
2992 |
0.933 |
173 |
1161 |
|
|
17 |
A" |
3126 |
2942 |
0.941 |
173 |
1162 |
|
|
18 |
A" |
1496 |
1451 |
0.970 |
173 |
1163 |
|
|
19 |
A" |
1284 |
1250 |
0.974 |
173 |
1164 |
|
|
20 |
A" |
1147 |
1118 |
0.974 |
173 |
1165 |
|
|
21 |
A" |
904 |
892 |
0.986 |
173 |
1166 |
|
|
22 |
A" |
679 |
660 |
0.972 |
173 |
1167 |
|
|
23 |
A" |
253 |
220 |
0.871 |
173 |
1168 |
|
|
24 |
A" |
147 |
135 |
0.921 |
173 |
1169 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3217 |
2990 |
0.929 |
174 |
1170 |
|
|
2 |
A |
3202 |
2983 |
0.932 |
174 |
1171 |
|
|
3 |
A |
3091 |
2913 |
0.942 |
174 |
1172 |
|
|
4 |
A |
1477 |
1426 |
0.965 |
174 |
1173 |
|
|
5 |
A |
1465 |
1419 |
0.969 |
174 |
1174 |
|
|
6 |
A |
1350 |
1311 |
0.971 |
174 |
1175 |
|
|
7 |
A |
982 |
955 |
0.973 |
174 |
1176 |
|
|
8 |
A |
973 |
949 |
0.975 |
174 |
1177 |
|
|
9 |
A |
730 |
694 |
0.951 |
174 |
1178 |
|
|
10 |
A |
517 |
509 |
0.984 |
174 |
1179 |
|
|
11 |
A |
238 |
240 |
1.008 |
174 |
1180 |
|
|
12 |
A |
159 |
134 |
0.841 |
174 |
1181 |
|
|
13 |
A |
99 |
117 |
1.184 |
174 |
1182 |
|
|
14 |
B |
3217 |
2990 |
0.929 |
174 |
1183 |
|
|
15 |
B |
3202 |
2983 |
0.932 |
174 |
1184 |
|
|
16 |
B |
3090 |
2915 |
0.943 |
174 |
1185 |
|
|
17 |
B |
1481 |
1430 |
0.965 |
174 |
1186 |
|
|
18 |
B |
1458 |
1415 |
0.970 |
174 |
1187 |
|
|
19 |
B |
1340 |
1303 |
0.972 |
174 |
1188 |
|
|
20 |
B |
979 |
955 |
0.975 |
174 |
1189 |
|
|
21 |
B |
973 |
949 |
0.975 |
174 |
1190 |
|
|
22 |
B |
728 |
691 |
0.949 |
174 |
1191 |
|
|
23 |
B |
269 |
274 |
1.020 |
174 |
1192 |
|
|
24 |
B |
171 |
134 |
0.785 |
174 |
1193 |
C3H8 |
Propane |
1 |
A1 |
3184 |
2977 |
0.935 |
175 |
1194 |
|
|
2 |
A1 |
3090 |
2962 |
0.959 |
175 |
1195 |
|
|
3 |
A1 |
3082 |
2887 |
0.937 |
175 |
1196 |
|
|
4 |
A1 |
1512 |
1476 |
0.976 |
175 |
1197 |
|
|
5 |
A1 |
1490 |
1462 |
0.981 |
175 |
1198 |
|
|
6 |
A1 |
1419 |
1392 |
0.981 |
175 |
1199 |
|
|
7 |
A1 |
1186 |
1158 |
0.976 |
175 |
1200 |
|
|
8 |
A1 |
907 |
869 |
0.958 |
175 |
1201 |
|
|
9 |
A1 |
368 |
369 |
1.004 |
175 |
1202 |
|
|
10 |
A2 |
3175 |
2967 |
0.935 |
175 |
1203 |
|
|
11 |
A2 |
1490 |
1451 |
0.974 |
175 |
1204 |
|
|
12 |
A2 |
1321 |
1278 |
0.968 |
175 |
1205 |
|
|
13 |
A2 |
910 |
940 |
1.033 |
175 |
1206 |
|
|
14 |
A2 |
234 |
216 |
0.921 |
175 |
1207 |
|
|
15 |
B1 |
3182 |
2973 |
0.934 |
175 |
1208 |
|
|
16 |
B1 |
3137 |
2968 |
0.946 |
175 |
1209 |
|
|
17 |
B1 |
1508 |
1472 |
0.976 |
175 |
1210 |
|
|
18 |
B1 |
1218 |
1192 |
0.979 |
175 |
1211 |
|
|
19 |
B1 |
757 |
748 |
0.989 |
175 |
1212 |
|
|
20 |
B1 |
293 |
268 |
0.913 |
175 |
1213 |
|
|
21 |
B2 |
3183 |
2968 |
0.933 |
175 |
1214 |
|
|
22 |
B2 |
3081 |
2887 |
0.937 |
175 |
1215 |
|
|
23 |
B2 |
1498 |
1464 |
0.977 |
175 |
1216 |
|
|
24 |
B2 |
1412 |
1378 |
0.976 |
175 |
1217 |
|
|
25 |
B2 |
1364 |
1338 |
0.981 |
175 |
1218 |
|
|
26 |
B2 |
1102 |
1054 |
0.956 |
175 |
1219 |
|
|
27 |
B2 |
932 |
922 |
0.989 |
175 |
1220 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3283 |
3091 |
0.941 |
176 |
1221 |
|
|
2 |
A1 |
3258 |
3075 |
0.944 |
176 |
1222 |
|
|
3 |
A1 |
3080 |
2886 |
0.937 |
176 |
1223 |
|
|
4 |
A1 |
1554 |
1500 |
0.965 |
176 |
1224 |
|
|
5 |
A1 |
1417 |
1378 |
0.972 |
176 |
1225 |
|
|
6 |
A1 |
1395 |
1365 |
0.978 |
176 |
1226 |
|
|
7 |
A1 |
1122 |
1106 |
0.986 |
176 |
1227 |
|
|
8 |
A1 |
1037 |
994 |
0.958 |
176 |
1228 |
|
|
9 |
A1 |
947 |
915 |
0.966 |
176 |
1229 |
|
|
10 |
A1 |
804 |
802 |
0.998 |
176 |
1230 |
|
|
11 |
A2 |
1114 |
1100 |
0.987 |
176 |
1231 |
|
|
12 |
A2 |
928 |
941 |
1.014 |
176 |
1232 |
|
|
13 |
A2 |
703 |
700 |
0.995 |
176 |
1233 |
|
|
14 |
A2 |
507 |
516 |
1.018 |
176 |
1234 |
|
|
15 |
B1 |
3131 |
2900 |
0.926 |
176 |
1235 |
|
|
16 |
B1 |
938 |
925 |
0.986 |
176 |
1236 |
|
|
17 |
B1 |
908 |
891 |
0.982 |
176 |
1237 |
|
|
18 |
B1 |
680 |
664 |
0.976 |
176 |
1238 |
|
|
19 |
B1 |
325 |
350 |
1.077 |
176 |
1239 |
|
|
20 |
B2 |
3276 |
3105 |
0.948 |
176 |
1240 |
|
|
21 |
B2 |
3249 |
3043 |
0.937 |
176 |
1241 |
|
|
22 |
B2 |
1626 |
1580 |
0.972 |
176 |
1242 |
|
|
23 |
B2 |
1321 |
1292 |
0.978 |
176 |
1243 |
|
|
24 |
B2 |
1260 |
1239 |
0.984 |
176 |
1244 |
|
|
25 |
B2 |
1101 |
1090 |
0.990 |
176 |
1245 |
|
|
26 |
B2 |
989 |
959 |
0.969 |
176 |
1246 |
|
|
27 |
B2 |
807 |
805 |
0.997 |
176 |
1247 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3248 |
3035 |
0.934 |
177 |
1248 |
|
|
2 |
A' |
3242 |
3031 |
0.935 |
177 |
1249 |
|
|
3 |
A' |
3115 |
2966 |
0.952 |
177 |
1250 |
|
|
4 |
A' |
3106 |
2964 |
0.954 |
177 |
1251 |
|
|
5 |
A' |
1838 |
1771 |
0.963 |
177 |
1252 |
|
|
6 |
A' |
1505 |
1460 |
0.970 |
177 |
1253 |
|
|
7 |
A' |
1481 |
1440 |
0.973 |
177 |
1254 |
|
|
8 |
A' |
1471 |
1430 |
0.972 |
177 |
1255 |
|
|
9 |
A' |
1401 |
1375 |
0.981 |
177 |
1256 |
|
|
10 |
A' |
1293 |
1248 |
0.965 |
177 |
1257 |
|
|
11 |
A' |
1213 |
1159 |
0.955 |
177 |
1258 |
|
|
12 |
A' |
1100 |
1060 |
0.964 |
177 |
1259 |
|
|
13 |
A' |
997 |
980 |
0.983 |
177 |
1260 |
|
|
14 |
A' |
873 |
844 |
0.967 |
177 |
1261 |
|
|
15 |
A' |
653 |
639 |
0.979 |
177 |
1262 |
|
|
16 |
A' |
426 |
429 |
1.008 |
177 |
1263 |
|
|
17 |
A' |
293 |
303 |
1.035 |
177 |
1264 |
|
|
18 |
A" |
3212 |
3005 |
0.935 |
177 |
1265 |
|
|
19 |
A" |
3205 |
2994 |
0.934 |
177 |
1266 |
|
|
20 |
A" |
1490 |
1460 |
0.980 |
177 |
1267 |
|
|
21 |
A" |
1479 |
1430 |
0.967 |
177 |
1268 |
|
|
22 |
A" |
1185 |
1187 |
1.002 |
177 |
1269 |
|
|
23 |
A" |
1065 |
1036 |
0.973 |
177 |
1270 |
|
|
24 |
A" |
607 |
607 |
1.000 |
177 |
1271 |
|
|
25 |
A" |
184 |
187 |
1.017 |
177 |
1272 |
|
|
26 |
A" |
162 |
136 |
0.837 |
177 |
1273 |
|
|
27 |
A" |
69 |
110 |
1.595 |
177 |
1274 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3209 |
3005 |
0.937 |
178 |
1275 |
|
|
2 |
A' |
3192 |
2955 |
0.926 |
178 |
1276 |
|
|
3 |
A' |
3137 |
2927 |
0.933 |
178 |
1277 |
|
|
4 |
A' |
3091 |
2878 |
0.931 |
178 |
1278 |
|
|
5 |
A' |
1506 |
1472 |
0.978 |
178 |
1279 |
|
|
6 |
A' |
1492 |
1454 |
0.975 |
178 |
1280 |
|
|
7 |
A' |
1416 |
1390 |
0.982 |
178 |
1281 |
|
|
8 |
A' |
1301 |
1270 |
0.976 |
178 |
1282 |
|
|
9 |
A' |
1195 |
1163 |
0.973 |
178 |
1283 |
|
|
10 |
A' |
1089 |
1065 |
0.978 |
178 |
1284 |
|
|
11 |
A' |
931 |
888 |
0.954 |
178 |
1285 |
|
|
12 |
A' |
667 |
633 |
0.950 |
178 |
1286 |
|
|
13 |
A' |
427 |
418 |
0.980 |
178 |
1287 |
|
|
14 |
A' |
343 |
336 |
0.978 |
178 |
1288 |
|
|
15 |
A' |
290 |
253 |
0.871 |
178 |
1289 |
|
|
16 |
A" |
3206 |
2997 |
0.935 |
178 |
1290 |
|
|
17 |
A" |
3187 |
2985 |
0.937 |
178 |
1291 |
|
|
18 |
A" |
3088 |
2947 |
0.954 |
178 |
1292 |
|
|
19 |
A" |
1484 |
1472 |
0.992 |
178 |
1293 |
|
|
20 |
A" |
1480 |
1454 |
0.982 |
178 |
1294 |
|
|
21 |
A" |
1407 |
1377 |
0.978 |
178 |
1295 |
|
|
22 |
A" |
1361 |
1334 |
0.980 |
178 |
1296 |
|
|
23 |
A" |
1175 |
1123 |
0.955 |
178 |
1297 |
|
|
24 |
A" |
962 |
972 |
1.011 |
178 |
1298 |
|
|
25 |
A" |
938 |
936 |
0.997 |
178 |
1299 |
|
|
26 |
A" |
331 |
317 |
0.959 |
178 |
1300 |
|
|
27 |
A" |
258 |
276 |
1.071 |
178 |
1301 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3194 |
2989 |
0.936 |
179 |
1302 |
|
|
2 |
A1 |
3191 |
2941 |
0.922 |
179 |
1303 |
|
|
3 |
A1 |
3075 |
2911 |
0.947 |
179 |
1304 |
|
|
4 |
A1 |
1730 |
1661 |
0.960 |
179 |
1305 |
|
|
5 |
A1 |
1499 |
1470 |
0.981 |
179 |
1306 |
|
|
6 |
A1 |
1446 |
1416 |
0.979 |
179 |
1307 |
|
|
7 |
A1 |
1406 |
1366 |
0.972 |
179 |
1308 |
|
|
8 |
A1 |
1080 |
1064 |
0.985 |
179 |
1309 |
|
|
9 |
A1 |
837 |
801 |
0.957 |
179 |
1310 |
|
|
10 |
A1 |
373 |
383 |
1.027 |
179 |
1311 |
|
|
11 |
A2 |
3155 |
2970 |
0.941 |
179 |
1312 |
|
|
12 |
A2 |
1469 |
1459 |
0.993 |
179 |
1313 |
|
|
13 |
A2 |
1020 |
1076 |
1.055 |
179 |
1314 |
|
|
14 |
A2 |
706 |
|
|
179 |
1315 |
|
|
15 |
A2 |
171 |
193 |
1.126 |
179 |
1316 |
|
|
16 |
B1 |
3156 |
2945 |
0.933 |
179 |
1317 |
|
|
17 |
B1 |
1487 |
1444 |
0.971 |
179 |
1318 |
|
|
18 |
B1 |
1099 |
1079 |
0.982 |
179 |
1319 |
|
|
19 |
B1 |
908 |
890 |
0.980 |
179 |
1320 |
|
|
20 |
B1 |
429 |
429 |
1.000 |
179 |
1321 |
|
|
21 |
B1 |
214 |
196 |
0.917 |
179 |
1322 |
|
|
22 |
B2 |
3295 |
3086 |
0.937 |
179 |
1323 |
|
|
23 |
B2 |
3192 |
2980 |
0.933 |
179 |
1324 |
|
|
24 |
B2 |
3072 |
2893 |
0.942 |
179 |
1325 |
|
|
25 |
B2 |
1482 |
1458 |
0.984 |
179 |
1326 |
|
|
26 |
B2 |
1416 |
1381 |
0.975 |
179 |
1327 |
|
|
27 |
B2 |
1313 |
1282 |
0.976 |
179 |
1328 |
|
|
28 |
B2 |
998 |
1043 |
1.045 |
179 |
1329 |
|
|
29 |
B2 |
963 |
974 |
1.011 |
179 |
1330 |
|
|
30 |
B2 |
429 |
430 |
1.003 |
179 |
1331 |
C5H8 |
Cyclopentene |
1 |
A' |
3258 |
3066 |
0.941 |
180 |
1332 |
|
|
2 |
A' |
3174 |
2958 |
0.932 |
180 |
1333 |
|
|
3 |
A' |
3142 |
2916 |
0.928 |
180 |
1334 |
|
|
4 |
A' |
3103 |
2902 |
0.935 |
180 |
1335 |
|
|
5 |
A' |
3068 |
2852 |
0.930 |
180 |
1336 |
|
|
6 |
A' |
1666 |
1616 |
0.970 |
180 |
1337 |
|
|
7 |
A' |
1499 |
1467 |
0.979 |
180 |
1338 |
|
|
8 |
A' |
1472 |
1449 |
0.985 |
180 |
1339 |
|
|
9 |
A' |
1333 |
1302 |
0.977 |
180 |
1340 |
|
|
10 |
A' |
1237 |
1284 |
1.038 |
180 |
1341 |
|
|
11 |
A' |
1119 |
1213 |
1.084 |
180 |
1342 |
|
|
12 |
A' |
1071 |
1048 |
0.979 |
180 |
1343 |
|
|
13 |
A' |
998 |
964 |
0.966 |
180 |
1344 |
|
|
14 |
A' |
938 |
962 |
1.026 |
180 |
1345 |
|
|
15 |
A' |
846 |
904 |
1.069 |
180 |
1346 |
|
|
16 |
A' |
716 |
692 |
0.967 |
180 |
1347 |
|
|
17 |
A' |
586 |
603 |
1.030 |
180 |
1348 |
|
|
18 |
A' |
196 |
254 |
1.295 |
180 |
1349 |
|
|
19 |
A" |
3232 |
3039 |
0.940 |
180 |
1350 |
|
|
20 |
A" |
3141 |
2967 |
0.945 |
180 |
1351 |
|
|
21 |
A" |
3071 |
2927 |
0.953 |
180 |
1352 |
|
|
22 |
A" |
1480 |
1467 |
0.991 |
180 |
1353 |
|
|
23 |
A" |
1383 |
1432 |
1.035 |
180 |
1354 |
|
|
24 |
A" |
1335 |
1356 |
1.016 |
180 |
1355 |
|
|
25 |
A" |
1296 |
1302 |
1.004 |
180 |
1356 |
|
|
26 |
A" |
1225 |
1297 |
1.059 |
180 |
1357 |
|
|
27 |
A" |
1145 |
1207 |
1.055 |
180 |
1358 |
|
|
28 |
A" |
1056 |
1113 |
1.054 |
180 |
1359 |
|
|
29 |
A" |
953 |
1082 |
1.136 |
180 |
1360 |
|
|
30 |
A" |
939 |
937 |
0.998 |
180 |
1361 |
|
|
31 |
A" |
898 |
800 |
0.890 |
180 |
1362 |
|
|
32 |
A" |
773 |
702 |
0.908 |
180 |
1363 |
|
|
33 |
A" |
391 |
387 |
0.989 |
180 |
1364 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3299 |
3080 |
0.934 |
181 |
1365 |
|
|
2 |
A |
3203 |
3012 |
0.940 |
181 |
1366 |
|
|
3 |
A |
3189 |
3012 |
0.945 |
181 |
1367 |
|
|
4 |
A |
3074 |
2900 |
0.943 |
181 |
1368 |
|
|
5 |
A |
1711 |
1644 |
0.961 |
181 |
1369 |
|
|
6 |
A |
1470 |
1433 |
0.975 |
181 |
1370 |
|
|
7 |
A |
1444 |
1413 |
0.979 |
181 |
1371 |
|
|
8 |
A |
1310 |
1295 |
0.988 |
181 |
1372 |
|
|
9 |
A |
1263 |
1263 |
1.000 |
181 |
1373 |
|
|
10 |
A |
1084 |
1120 |
1.033 |
181 |
1374 |
|
|
11 |
A |
1027 |
995 |
0.968 |
181 |
1375 |
|
|
12 |
A |
931 |
918 |
0.986 |
181 |
1376 |
|
|
13 |
A |
924 |
876 |
0.948 |
181 |
1377 |
|
|
14 |
A |
685 |
562 |
0.821 |
181 |
1378 |
|
|
15 |
A |
369 |
421 |
1.140 |
181 |
1379 |
|
|
16 |
A |
303 |
137 |
0.452 |
181 |
1380 |
|
|
17 |
A |
88 |
102 |
1.157 |
181 |
1381 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3133 |
2953 |
0.943 |
182 |
1382 |
|
|
2 |
A1 |
2987 |
2775 |
0.929 |
182 |
1383 |
|
|
3 |
A1 |
1503 |
1459 |
0.971 |
182 |
1384 |
|
|
4 |
A1 |
1480 |
1444 |
0.976 |
182 |
1385 |
|
|
5 |
A1 |
1214 |
1186 |
0.977 |
182 |
1386 |
|
|
6 |
A1 |
868 |
828 |
0.954 |
182 |
1387 |
|
|
7 |
A1 |
376 |
367 |
0.975 |
182 |
1388 |
|
|
8 |
A2 |
3185 |
2977 |
0.935 |
182 |
1389 |
|
|
9 |
A2 |
1489 |
1453 |
0.975 |
182 |
1390 |
|
|
10 |
A2 |
1065 |
1046 |
0.983 |
182 |
1391 |
|
|
11 |
A2 |
253 |
255 |
1.007 |
182 |
1392 |
|
|
12 |
E |
3188 |
2981 |
0.935 |
182 |
1393 |
|
|
13 |
E |
3131 |
2953 |
0.943 |
182 |
1394 |
|
|
14 |
E |
2978 |
2776 |
0.932 |
182 |
1395 |
|
|
15 |
E |
1512 |
1471 |
0.973 |
182 |
1396 |
|
|
16 |
E |
1481 |
1444 |
0.975 |
182 |
1397 |
|
|
17 |
E |
1437 |
1409 |
0.981 |
182 |
1398 |
|
|
18 |
E |
1322 |
1275 |
0.964 |
182 |
1399 |
|
|
19 |
E |
1124 |
1103 |
0.981 |
182 |
1400 |
|
|
20 |
E |
1083 |
1043 |
0.963 |
182 |
1401 |
|
|
21 |
E |
423 |
424 |
1.001 |
182 |
1402 |
|
|
22 |
E |
292 |
281 |
0.962 |
182 |
1403 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
429 |
1442 |
3.360 |
183 |
1404 |
|
|
|
Ag |
865 |
1151 |
1.331 |
183 |
1405 |
|
|
|
Au |
1292 |
1257 |
0.973 |
183 |
1406 |
|
|
|
Bg |
1499 |
1300 |
0.867 |
183 |
1407 |
|
|
|
Bu |
3078 |
2870 |
0.932 |
183 |
1408 |
|
|
|
Bu |
3082 |
2853 |
0.926 |
183 |
1409 |
|
|
|
Bu |
3183 |
271 |
0.085 |
183 |
1410 |
C4H9N |
Pyrrolidine |
1 |
A' |
3538 |
3356 |
0.949 |
184 |
1411 |
|
|
2 |
A' |
3191 |
2975 |
0.932 |
184 |
1412 |
|
|
3 |
A' |
3147 |
2927 |
0.930 |
184 |
1413 |
|
|
4 |
A' |
3125 |
2889 |
0.925 |
184 |
1414 |
|
|
5 |
A' |
2994 |
2824 |
0.943 |
184 |
1415 |
|
|
6 |
A' |
1526 |
1484 |
0.972 |
184 |
1416 |
|
|
7 |
A' |
1498 |
1447 |
0.966 |
184 |
1417 |
|
|
8 |
A' |
1405 |
1292 |
0.920 |
184 |
1418 |
|
|
9 |
A' |
1326 |
1273 |
0.960 |
184 |
1419 |
|
|
10 |
A' |
1258 |
1228 |
0.976 |
184 |
1420 |
|
|
11 |
A' |
1233 |
1181 |
0.958 |
184 |
1421 |
|
|
12 |
A' |
1090 |
974 |
0.894 |
184 |
1422 |
|
|
13 |
A' |
1024 |
920 |
0.898 |
184 |
1423 |
|
|
14 |
A' |
967 |
901 |
0.932 |
184 |
1424 |
|
|
15 |
A' |
934 |
871 |
0.932 |
184 |
1425 |
|
|
16 |
A' |
916 |
832 |
0.908 |
184 |
1426 |
|
|
17 |
A' |
778 |
789 |
1.015 |
184 |
1427 |
|
|
18 |
A' |
586 |
579 |
0.988 |
184 |
1428 |
|
|
19 |
A' |
325 |
299 |
0.920 |
184 |
1429 |
|
|
20 |
A" |
3173 |
2967 |
0.935 |
184 |
1430 |
|
|
21 |
A" |
3144 |
2916 |
0.927 |
184 |
1431 |
|
|
22 |
A" |
3114 |
2879 |
0.925 |
184 |
1432 |
|
|
23 |
A" |
2992 |
2818 |
0.942 |
184 |
1433 |
|
|
24 |
A" |
1507 |
1459 |
0.968 |
184 |
1434 |
|
|
25 |
A" |
1474 |
1412 |
0.958 |
184 |
1435 |
|
|
26 |
A" |
1435 |
1341 |
0.934 |
184 |
1436 |
|
|
27 |
A" |
1330 |
1268 |
0.953 |
184 |
1437 |
|
|
28 |
A" |
1306 |
1211 |
0.927 |
184 |
1438 |
|
|
29 |
A" |
1247 |
1203 |
0.965 |
184 |
1439 |
|
|
30 |
A" |
1208 |
1171 |
0.970 |
184 |
1440 |
|
|
31 |
A" |
1153 |
1099 |
0.953 |
184 |
1441 |
|
|
32 |
A" |
1113 |
1023 |
0.919 |
184 |
1442 |
|
|
33 |
A" |
958 |
883 |
0.921 |
184 |
1443 |
|
|
34 |
A" |
878 |
848 |
0.965 |
184 |
1444 |
|
|
35 |
A" |
627 |
600 |
0.958 |
184 |
1445 |
|
|
36 |
A" |
61 |
65 |
1.059 |
184 |
1446 |
C8H8 |
cubane |
1 |
A1g |
3184 |
2995 |
0.941 |
185 |
1447 |
|
|
2 |
A1g |
1036 |
1002 |
0.968 |
185 |
1448 |
|
|
3 |
A2u |
3149 |
2978 |
0.946 |
185 |
1449 |
|
|
4 |
A2u |
1014 |
839 |
0.828 |
185 |
1450 |
|
|
5 |
Eg |
1126 |
1083 |
0.961 |
185 |
1451 |
|
|
6 |
Eg |
922 |
912 |
0.989 |
185 |
1452 |
|
|
7 |
Eu |
1149 |
1151 |
1.002 |
185 |
1453 |
|
|
8 |
Eu |
609 |
617 |
1.013 |
185 |
1454 |
|
|
9 |
T1g |
1147 |
1130 |
0.985 |
185 |
1455 |
|
|
10 |
T1u |
3167 |
2978 |
0.940 |
185 |
1456 |
|
|
11 |
T1u |
1267 |
1230 |
0.971 |
185 |
1457 |
|
|
12 |
T1u |
872 |
853 |
0.978 |
185 |
1458 |
|
|
13 |
T2g |
3159 |
2970 |
0.940 |
185 |
1459 |
|
|
14 |
T2g |
1219 |
1182 |
0.969 |
185 |
1460 |
|
|
15 |
T2g |
835 |
821 |
0.983 |
185 |
1461 |
|
|
16 |
T2g |
657 |
665 |
1.012 |
185 |
1462 |
|
|
17 |
T2u |
1077 |
1036 |
0.962 |
185 |
1463 |
|
|
18 |
T2u |
836 |
829 |
0.991 |
185 |
1464 |
C6H12 |
Cyclohexane |
1 |
A1g |
3130 |
2930 |
0.936 |
186 |
1465 |
|
|
2 |
A1g |
3071 |
2852 |
0.929 |
186 |
1466 |
|
|
3 |
A1g |
1503 |
1465 |
0.975 |
186 |
1467 |
|
|
4 |
A1g |
1184 |
1157 |
0.977 |
186 |
1468 |
|
|
5 |
A1g |
834 |
802 |
0.962 |
186 |
1469 |
|
|
6 |
A1g |
395 |
383 |
0.970 |
186 |
1470 |
|
|
7 |
A1u |
1389 |
1383 |
0.996 |
186 |
1471 |
|
|
8 |
A1u |
1155 |
1157 |
1.002 |
186 |
1472 |
|
|
9 |
A1u |
1126 |
1057 |
0.939 |
186 |
1473 |
|
|
10 |
A2g |
1338 |
1437 |
1.074 |
186 |
1474 |
|
|
11 |
A2g |
1071 |
1090 |
1.018 |
186 |
1475 |
|
|
12 |
A2u |
3142 |
2915 |
0.928 |
186 |
1476 |
|
|
13 |
A2u |
3069 |
2860 |
0.932 |
186 |
1477 |
|
|
14 |
A2u |
1484 |
1437 |
0.968 |
186 |
1478 |
|
|
15 |
A2u |
1049 |
1030 |
0.982 |
186 |
1479 |
|
|
16 |
A2u |
521 |
523 |
1.005 |
186 |
1480 |
|
|
17 |
Eg |
3135 |
2930 |
0.935 |
186 |
1481 |
|
|
18 |
Eg |
3069 |
2897 |
0.944 |
186 |
1482 |
|
|
19 |
Eg |
1472 |
1443 |
0.980 |
186 |
1483 |
|
|
20 |
Eg |
1390 |
1347 |
0.969 |
186 |
1484 |
|
|
21 |
Eg |
1302 |
1266 |
0.972 |
186 |
1485 |
|
|
22 |
Eg |
1067 |
1027 |
0.963 |
186 |
1486 |
|
|
23 |
Eg |
800 |
785 |
0.982 |
186 |
1487 |
|
|
24 |
Eg |
426 |
426 |
1.001 |
186 |
1488 |
|
|
25 |
Eu |
3130 |
2933 |
0.937 |
186 |
1489 |
|
|
26 |
Eu |
3069 |
2863 |
0.933 |
186 |
1490 |
|
|
27 |
Eu |
1481 |
1457 |
0.984 |
186 |
1491 |
|
|
28 |
Eu |
1385 |
1355 |
0.978 |
186 |
1492 |
|
|
29 |
Eu |
1286 |
1261 |
0.981 |
186 |
1493 |
|
|
30 |
Eu |
921 |
907 |
0.984 |
186 |
1494 |
|
|
31 |
Eu |
895 |
863 |
0.964 |
186 |
1495 |
|
|
32 |
Eu |
240 |
248 |
1.034 |
186 |
1496 |