H2 |
Hydrogen diatomic |
1 |
Σg |
4369 |
4161 |
0.952 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1360 |
1360 |
1.000 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
337 |
346 |
1.027 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1107 |
1133 |
1.023 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
156 |
158 |
1.010 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
1988 |
1987 |
0.999 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1415 |
1432 |
1.012 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2180 |
2269 |
1.041 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1567 |
1625 |
1.037 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2552 |
2733 |
1.071 |
10 |
10 |
|
|
1 |
Σ |
3022 |
|
|
10 |
11 |
C2 |
Carbon diatomic |
1 |
Σg |
1845 |
1827 |
0.990 |
11 |
12 |
SiH |
Silylidyne |
1 |
Σ |
1858 |
1971 |
1.061 |
12 |
13 |
NH |
Imidogen |
1 |
Σ |
2824 |
3126 |
1.107 |
13 |
14 |
CN |
Cyano radical |
1 |
Σ |
2032 |
2042 |
1.005 |
14 |
15 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2168 |
2330 |
1.075 |
15 |
16 |
|
|
1 |
Σg |
1589 |
1733 |
1.091 |
15 |
17 |
PH |
phosphorus monohydride |
1 |
Σ |
2105 |
2276 |
1.081 |
16 |
18 |
|
|
1 |
Σ |
2117 |
2319 |
1.095 |
16 |
19 |
PN |
Phosphorus mononitride |
1 |
Σ |
1219 |
1323 |
1.086 |
17 |
20 |
P2 |
Phosphorus diatomic |
1 |
Σg |
684 |
775 |
1.134 |
18 |
21 |
OH |
Hydroxyl radical |
1 |
Σ |
3151 |
3570 |
1.133 |
19 |
22 |
LiO |
lithium oxide |
1 |
Σ |
847 |
799 |
0.944 |
20 |
23 |
BeO |
beryllium oxide |
1 |
Σ |
1482 |
1435 |
0.968 |
21 |
24 |
BO |
boron monoxide |
1 |
Σ |
1770 |
1862 |
1.052 |
22 |
25 |
CO |
Carbon monoxide |
1 |
Σ |
1992 |
2143 |
1.076 |
23 |
26 |
|
|
1 |
Σ |
1610 |
|
|
23 |
27 |
NaO |
sodium monoxide |
1 |
Σ |
466 |
|
|
24 |
28 |
MgO |
magnesium oxide |
1 |
Σ |
814 |
775 |
0.952 |
25 |
29 |
SiO |
Silicon monoxide |
1 |
Σ |
1134 |
1230 |
1.084 |
26 |
30 |
HS |
Mercapto radical |
1 |
Σ |
2377 |
2599 |
1.093 |
27 |
31 |
BeS |
beryllium sulfide |
1 |
Σ |
970 |
986 |
1.016 |
28 |
32 |
BS |
boron sulfide |
1 |
Σ |
1112 |
1167 |
1.050 |
29 |
33 |
CS |
carbon monosulfide |
1 |
Σ |
1116 |
1272 |
1.140 |
30 |
34 |
SO |
Sulfur monoxide |
1 |
Σ |
958 |
1138 |
1.188 |
31 |
35 |
|
|
1 |
Σ |
950 |
1054 |
1.109 |
31 |
36 |
MgS |
magnesium sulfide |
1 |
Σ |
510 |
523 |
1.027 |
32 |
37 |
AlS |
Aluminum sulfide |
1 |
Σ |
558 |
610 |
1.094 |
33 |
38 |
SiS |
silicon monosulfide |
1 |
Σ |
641 |
744 |
1.162 |
34 |
39 |
S2 |
Sulfur diatomic |
1 |
Σg |
541 |
720 |
1.331 |
35 |
40 |
HF |
Hydrogen fluoride |
1 |
Σ |
3520 |
3961 |
1.125 |
36 |
41 |
LiF |
lithium fluoride |
1 |
Σ |
995 |
896 |
0.901 |
37 |
42 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1328 |
|
|
38 |
43 |
CF |
Fluoromethylidyne |
1 |
Σ |
1207 |
1286 |
1.066 |
39 |
44 |
NF |
nitrogen fluoride |
1 |
Σ |
1075 |
1123 |
1.045 |
40 |
45 |
F2 |
Fluorine diatomic |
1 |
Σg |
1071 |
894 |
0.835 |
41 |
46 |
NaF |
sodium fluoride |
1 |
Σ |
537 |
529 |
0.985 |
42 |
47 |
AlF |
Aluminum monofluoride |
1 |
Σ |
793 |
793 |
1.000 |
43 |
48 |
SiF |
silicon monofluoride |
1 |
Σ |
815 |
848 |
1.040 |
44 |
49 |
SF |
Monosulfur monofluoride |
1 |
Σ |
773 |
829 |
1.072 |
45 |
50 |
HCl |
Hydrogen chloride |
1 |
Σ |
2624 |
2886 |
1.100 |
46 |
51 |
LiCl |
lithium chloride |
1 |
Σ |
621 |
634 |
1.021 |
47 |
52 |
BeCl |
beryllium monochloride |
1 |
Σ |
790 |
847 |
1.072 |
48 |
53 |
BCl |
boron monochloride |
1 |
Σ |
675 |
829 |
1.228 |
49 |
54 |
CCl |
carbon monochloride |
1 |
Σ |
669 |
866 |
1.294 |
50 |
55 |
ClO |
Monochlorine monoxide |
1 |
Σ |
741 |
843 |
1.136 |
51 |
56 |
ClF |
Chlorine monofluoride |
1 |
Σ |
710 |
773 |
1.090 |
52 |
57 |
NaCl |
Sodium Chloride |
1 |
Σ |
341 |
361 |
1.059 |
53 |
58 |
AlCl |
Aluminum monochloride |
1 |
Σ |
425 |
478 |
1.123 |
54 |
59 |
SiCl |
Clorosilylidyne |
1 |
Σ |
440 |
531 |
1.207 |
55 |
60 |
SCl |
sulfur monochloride |
1 |
Σ |
462 |
577 |
1.248 |
56 |
61 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
461 |
554 |
1.203 |
57 |
62 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2220 |
2159 |
0.973 |
58 |
63 |
|
|
3 |
Πu |
720 |
698 |
0.969 |
58 |
64 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1605 |
1572 |
0.979 |
59 |
65 |
|
|
3 |
Πu |
453 |
440 |
0.970 |
59 |
66 |
BH2 |
boron dihydride |
2 |
A1 |
962 |
954 |
0.991 |
60 |
67 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1742 |
1770 |
1.016 |
61 |
68 |
|
|
2 |
A1 |
702 |
760 |
1.083 |
61 |
69 |
|
|
3 |
B2 |
1796 |
1807 |
1.006 |
61 |
70 |
SiH2 |
silicon dihydride |
1 |
A1 |
1890 |
1996 |
1.056 |
62 |
71 |
|
|
2 |
A1 |
982 |
999 |
1.017 |
62 |
72 |
|
|
3 |
B2 |
1898 |
1993 |
1.050 |
62 |
73 |
NH2 |
Amino radical |
1 |
A1 |
2961 |
3219 |
1.087 |
63 |
74 |
|
|
2 |
A1 |
1571 |
1497 |
0.953 |
63 |
75 |
|
|
3 |
B2 |
3067 |
3301 |
1.076 |
63 |
76 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3406 |
3312 |
0.972 |
64 |
77 |
|
|
2 |
Σ |
2087 |
2089 |
1.001 |
64 |
78 |
|
|
3 |
Π |
872 |
712 |
0.817 |
64 |
79 |
HCP |
Phosphaethyne |
1 |
Σ |
3304 |
3217 |
0.974 |
65 |
80 |
|
|
2 |
Σ |
1242 |
1278 |
1.029 |
65 |
81 |
|
|
3 |
Π |
711 |
674 |
0.949 |
65 |
82 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
1818 |
2095 |
1.152 |
66 |
83 |
|
|
2 |
A' |
1035 |
1188 |
1.148 |
66 |
84 |
|
|
3 |
A' |
932 |
986 |
1.057 |
66 |
85 |
H2O |
Water |
1 |
A1 |
3304 |
3657 |
1.107 |
67 |
86 |
|
|
2 |
A1 |
1664 |
1595 |
0.959 |
67 |
87 |
|
|
3 |
B2 |
3448 |
3756 |
1.089 |
67 |
88 |
HBO |
Boron hydride oxide |
1 |
Σ |
2890 |
2850 |
0.986 |
68 |
89 |
|
|
2 |
Σ |
1754 |
1826 |
1.041 |
68 |
90 |
|
|
3 |
Π |
778 |
756 |
0.972 |
68 |
91 |
HCO |
Formyl radical |
1 |
A' |
2545 |
2434 |
0.957 |
69 |
92 |
|
|
2 |
A' |
1758 |
1868 |
1.063 |
69 |
93 |
|
|
3 |
A' |
1079 |
1081 |
1.002 |
69 |
94 |
HNO |
Nitrosyl hydride |
1 |
A' |
2410 |
2684 |
1.114 |
70 |
95 |
|
|
2 |
A' |
1484 |
1565 |
1.054 |
70 |
96 |
|
|
3 |
A' |
1279 |
1501 |
1.174 |
70 |
97 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3117 |
3436 |
1.102 |
71 |
98 |
|
|
2 |
A' |
1285 |
1392 |
1.083 |
71 |
99 |
|
|
3 |
A' |
1054 |
1098 |
1.041 |
71 |
100 |
CO2 |
Carbon dioxide |
1 |
Σg |
1247 |
1333 |
1.069 |
72 |
101 |
|
|
2 |
Σu |
2292 |
2349 |
1.025 |
72 |
102 |
|
|
3 |
Πu |
563 |
667 |
1.184 |
72 |
103 |
N2O |
Nitrous oxide |
1 |
Σ |
2050 |
2224 |
1.085 |
73 |
104 |
|
|
2 |
Σ |
1118 |
1285 |
1.149 |
73 |
105 |
|
|
3 |
Π |
531 |
589 |
1.108 |
73 |
106 |
NaOH |
sodium hydroxide |
1 |
Σ |
3519 |
3637 |
1.033 |
74 |
107 |
|
|
2 |
Σ |
632 |
540 |
0.855 |
74 |
108 |
|
|
3 |
Π |
68 |
300 |
4.426 |
74 |
109 |
SiO2 |
silicon dioxide |
2 |
Σu |
1293 |
1416 |
1.095 |
75 |
110 |
|
|
3 |
Πu |
123 |
273 |
2.210 |
75 |
111 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2409 |
2615 |
1.085 |
76 |
112 |
|
|
2 |
A1 |
1190 |
1183 |
0.994 |
76 |
113 |
|
|
3 |
B2 |
2438 |
2626 |
1.077 |
76 |
114 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2826 |
2736 |
0.968 |
77 |
115 |
|
|
2 |
Σ |
1130 |
1172 |
1.038 |
77 |
116 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2017 |
2062 |
1.023 |
78 |
117 |
|
|
2 |
Σ |
805 |
859 |
1.067 |
78 |
118 |
|
|
3 |
Π |
521 |
520 |
0.999 |
78 |
119 |
SO2 |
Sulfur dioxide |
1 |
A1 |
903 |
1151 |
1.275 |
79 |
120 |
|
|
2 |
A1 |
406 |
518 |
1.274 |
79 |
121 |
|
|
3 |
B2 |
1044 |
1362 |
1.304 |
79 |
122 |
CS2 |
Carbon disulfide |
1 |
Σg |
607 |
658 |
1.083 |
80 |
123 |
|
|
2 |
Σu |
1492 |
1535 |
1.029 |
80 |
124 |
|
|
3 |
Πu |
375 |
397 |
1.059 |
80 |
125 |
SSO |
Disulfur monoxide |
1 |
A' |
940 |
1166 |
1.241 |
81 |
126 |
|
|
2 |
A' |
459 |
679 |
1.481 |
81 |
127 |
|
|
3 |
A' |
268 |
380 |
1.418 |
81 |
128 |
HCF |
Fluoromethylene |
1 |
A' |
2466 |
2643 |
1.072 |
82 |
129 |
|
|
2 |
A' |
1358 |
1403 |
1.034 |
82 |
130 |
|
|
3 |
A' |
1127 |
1189 |
1.055 |
82 |
131 |
HOF |
Hypofluorous acid |
1 |
A' |
3235 |
3578 |
1.106 |
83 |
132 |
|
|
2 |
A' |
1248 |
1362 |
1.091 |
83 |
133 |
|
|
3 |
A' |
987 |
893 |
0.905 |
83 |
134 |
CF2 |
Difluoromethylene |
1 |
A1 |
1128 |
1225 |
1.086 |
84 |
135 |
|
|
2 |
A1 |
567 |
667 |
1.176 |
84 |
136 |
|
|
3 |
B2 |
1067 |
1114 |
1.044 |
84 |
137 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1467 |
1844 |
1.257 |
85 |
138 |
|
|
2 |
A' |
848 |
766 |
0.903 |
85 |
139 |
|
|
3 |
A' |
521 |
520 |
0.998 |
85 |
140 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1009 |
1075 |
1.066 |
86 |
141 |
|
|
2 |
A1 |
442 |
573 |
1.297 |
86 |
142 |
|
|
3 |
B2 |
920 |
942 |
1.025 |
86 |
143 |
F2O |
Difluorine monoxide |
1 |
A1 |
981 |
928 |
0.946 |
87 |
144 |
|
|
2 |
A1 |
369 |
461 |
1.251 |
87 |
145 |
|
|
3 |
B2 |
920 |
831 |
0.904 |
87 |
146 |
HOCl |
hypochlorous acid |
1 |
A' |
3244 |
3609 |
1.113 |
88 |
147 |
|
|
2 |
A' |
1213 |
1239 |
1.021 |
88 |
148 |
|
|
3 |
A' |
668 |
724 |
1.084 |
88 |
149 |
ClCN |
chlorocyanogen |
1 |
Σ |
2209 |
2216 |
1.003 |
89 |
150 |
|
|
2 |
Σ |
651 |
744 |
1.142 |
89 |
151 |
|
|
3 |
Π |
464 |
378 |
0.814 |
89 |
152 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1518 |
1800 |
1.186 |
90 |
153 |
|
|
2 |
A' |
579 |
596 |
1.028 |
90 |
154 |
|
|
3 |
A' |
324 |
332 |
1.023 |
90 |
155 |
OClO |
Chlorine dioxide |
1 |
A1 |
664 |
946 |
1.423 |
91 |
156 |
|
|
2 |
A1 |
302 |
448 |
1.481 |
91 |
157 |
|
|
3 |
B2 |
716 |
1110 |
1.551 |
91 |
158 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
605 |
639 |
1.056 |
92 |
159 |
|
|
2 |
A1 |
245 |
296 |
1.210 |
92 |
160 |
|
|
3 |
B2 |
589 |
686 |
1.165 |
92 |
161 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
429 |
522 |
1.217 |
93 |
162 |
|
|
2 |
A1 |
149 |
201 |
1.344 |
93 |
163 |
|
|
3 |
B2 |
429 |
509 |
1.187 |
93 |
164 |
BH3 |
boron trihydride |
2 |
A2" |
1108 |
1148 |
1.036 |
94 |
165 |
|
|
3 |
E' |
2671 |
2602 |
0.974 |
94 |
166 |
|
|
4 |
E' |
1162 |
1197 |
1.030 |
94 |
167 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1843 |
1900 |
1.031 |
95 |
168 |
|
|
2 |
A2" |
662 |
698 |
1.054 |
95 |
169 |
|
|
3 |
E' |
1870 |
1883 |
1.007 |
95 |
170 |
|
|
4 |
E' |
713 |
783 |
1.098 |
95 |
171 |
C2H2 |
Acetylene |
1 |
Σg |
3469 |
3374 |
0.973 |
96 |
172 |
|
|
2 |
Σg |
2028 |
1974 |
0.973 |
96 |
173 |
|
|
3 |
Σu |
3361 |
3289 |
0.979 |
96 |
174 |
|
|
4 |
Πg |
645 |
612 |
0.949 |
96 |
175 |
|
|
5 |
Πu |
757 |
730 |
0.964 |
96 |
176 |
SiH3 |
Silyl radical |
1 |
A1 |
2103 |
2136 |
1.016 |
97 |
177 |
|
|
2 |
A1 |
650 |
728 |
1.119 |
97 |
178 |
|
|
3 |
E |
2158 |
2185 |
1.013 |
97 |
179 |
|
|
4 |
E |
878 |
922 |
1.050 |
97 |
180 |
NH3 |
Ammonia |
1 |
A1 |
3278 |
3337 |
1.018 |
98 |
181 |
|
|
2 |
A1 |
761 |
950 |
1.248 |
98 |
182 |
|
|
3 |
E |
3438 |
3444 |
1.002 |
98 |
183 |
|
|
4 |
E |
1710 |
1627 |
0.952 |
98 |
184 |
C2N2 |
Cyanogen |
1 |
Σg |
2340 |
2330 |
0.996 |
99 |
185 |
|
|
2 |
Σg |
878 |
846 |
0.964 |
99 |
186 |
|
|
3 |
Σu |
2150 |
2158 |
1.004 |
99 |
187 |
|
|
4 |
Πg |
788 |
503 |
0.638 |
99 |
188 |
|
|
5 |
Πu |
313 |
234 |
0.747 |
99 |
189 |
PH3 |
Phosphine |
1 |
A1 |
2188 |
2323 |
1.062 |
100 |
190 |
|
|
2 |
A1 |
997 |
992 |
0.995 |
100 |
191 |
|
|
3 |
E |
2211 |
2328 |
1.053 |
100 |
192 |
|
|
4 |
E |
1145 |
1118 |
0.976 |
100 |
193 |
P4 |
Phosphorus tetramer |
1 |
A1 |
507 |
601 |
1.185 |
101 |
194 |
|
|
2 |
E |
301 |
361 |
1.197 |
101 |
195 |
|
|
3 |
T2 |
380 |
467 |
1.227 |
101 |
196 |
H2CO |
Formaldehyde |
1 |
A1 |
2802 |
2782 |
0.993 |
102 |
197 |
|
|
2 |
A1 |
1709 |
1746 |
1.021 |
102 |
198 |
|
|
3 |
A1 |
1528 |
1500 |
0.982 |
102 |
199 |
|
|
4 |
B1 |
1177 |
1167 |
0.992 |
102 |
200 |
|
|
5 |
B2 |
2834 |
2843 |
1.003 |
102 |
201 |
|
|
6 |
B2 |
1240 |
1249 |
1.007 |
102 |
202 |
HNCO |
Isocyanic acid |
1 |
A' |
3623 |
3538 |
0.977 |
103 |
203 |
|
|
2 |
A' |
2320 |
2269 |
0.978 |
103 |
204 |
|
|
3 |
A' |
1273 |
1327 |
1.043 |
103 |
205 |
|
|
4 |
A' |
598 |
777 |
1.299 |
103 |
206 |
|
|
5 |
A' |
546 |
577 |
1.058 |
103 |
207 |
|
|
6 |
A" |
576 |
656 |
1.140 |
103 |
208 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2017 |
2060 |
1.021 |
104 |
209 |
|
|
2 |
Σg |
625 |
585 |
0.937 |
104 |
210 |
|
|
3 |
Σu |
1822 |
1898 |
1.041 |
104 |
211 |
|
|
4 |
Πg |
566 |
410 |
0.725 |
104 |
212 |
|
|
5 |
Πu |
242 |
213 |
0.881 |
104 |
213 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3028 |
2971 |
0.981 |
105 |
214 |
|
|
2 |
A1 |
1489 |
1456 |
0.977 |
105 |
215 |
|
|
3 |
A1 |
996 |
1059 |
1.063 |
105 |
216 |
|
|
4 |
B1 |
995 |
990 |
0.995 |
105 |
217 |
|
|
5 |
B2 |
3125 |
3025 |
0.968 |
105 |
218 |
|
|
6 |
B2 |
997 |
991 |
0.994 |
105 |
219 |
H2S2 |
Disulfane |
1 |
A |
2382 |
2556 |
1.073 |
106 |
220 |
|
|
2 |
A |
800 |
882 |
1.102 |
106 |
221 |
|
|
3 |
A |
420 |
515 |
1.226 |
106 |
222 |
|
|
4 |
A |
339 |
417 |
1.231 |
106 |
223 |
|
|
5 |
B |
2383 |
2559 |
1.074 |
106 |
224 |
|
|
6 |
B |
782 |
878 |
1.123 |
106 |
225 |
SO3 |
Sulfur trioxide |
1 |
A1' |
815 |
1065 |
1.307 |
107 |
226 |
|
|
2 |
A2" |
306 |
498 |
1.629 |
107 |
227 |
|
|
3 |
E' |
1083 |
1391 |
1.285 |
107 |
228 |
|
|
4 |
E' |
390 |
530 |
1.359 |
107 |
229 |
BHF2 |
Difluoroborane |
1 |
A1 |
2723 |
2621 |
0.963 |
108 |
230 |
|
|
2 |
A1 |
1164 |
1164 |
1.000 |
108 |
231 |
|
|
3 |
A1 |
524 |
542 |
1.035 |
108 |
232 |
|
|
4 |
B1 |
929 |
924 |
0.994 |
108 |
233 |
|
|
5 |
B2 |
1507 |
1402 |
0.930 |
108 |
234 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1876 |
1928 |
1.028 |
109 |
235 |
|
|
2 |
A1 |
910 |
965 |
1.061 |
109 |
236 |
|
|
3 |
A1 |
530 |
584 |
1.102 |
109 |
237 |
|
|
4 |
B1 |
714 |
774 |
1.084 |
109 |
238 |
|
|
5 |
B2 |
1229 |
1249 |
1.016 |
109 |
239 |
|
|
6 |
B2 |
586 |
626 |
1.067 |
109 |
240 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
871 |
888 |
1.019 |
110 |
241 |
|
|
2 |
A2" |
624 |
691 |
1.108 |
110 |
242 |
|
|
3 |
E' |
1523 |
1449 |
0.951 |
110 |
243 |
|
|
4 |
E' |
460 |
480 |
1.044 |
110 |
244 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1149 |
1523 |
1.325 |
111 |
245 |
|
|
2 |
Ag |
930 |
1018 |
1.095 |
111 |
246 |
|
|
3 |
Ag |
544 |
603 |
1.108 |
111 |
247 |
|
|
4 |
Au |
312 |
364 |
1.168 |
111 |
248 |
|
|
5 |
Bu |
979 |
991 |
1.013 |
111 |
249 |
|
|
6 |
Bu |
346 |
423 |
1.223 |
111 |
250 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
990 |
1089 |
1.100 |
112 |
251 |
|
|
2 |
A1 |
628 |
701 |
1.117 |
112 |
252 |
|
|
3 |
E |
1229 |
1260 |
1.025 |
112 |
253 |
|
|
4 |
E |
450 |
509 |
1.131 |
112 |
254 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
958 |
1032 |
1.077 |
113 |
255 |
|
|
2 |
A1 |
501 |
647 |
1.293 |
113 |
256 |
|
|
3 |
E |
863 |
907 |
1.051 |
113 |
257 |
|
|
4 |
E |
365 |
492 |
1.349 |
113 |
258 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
676 |
690 |
1.021 |
114 |
259 |
|
|
2 |
A2" |
234 |
297 |
1.272 |
114 |
260 |
|
|
3 |
E' |
976 |
935 |
0.958 |
114 |
261 |
|
|
4 |
E' |
254 |
263 |
1.034 |
114 |
262 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
811 |
892 |
1.099 |
115 |
263 |
|
|
2 |
A1 |
384 |
487 |
1.267 |
115 |
264 |
|
|
3 |
E |
832 |
860 |
1.033 |
115 |
265 |
|
|
4 |
E |
276 |
344 |
1.245 |
115 |
266 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2722 |
2617 |
0.962 |
116 |
267 |
|
|
2 |
A1 |
666 |
740 |
1.112 |
116 |
268 |
|
|
4 |
B1 |
756 |
784 |
1.037 |
116 |
269 |
|
|
5 |
B2 |
1061 |
1089 |
1.027 |
116 |
270 |
|
|
6 |
B2 |
842 |
892 |
1.059 |
116 |
271 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1102 |
1267 |
1.150 |
117 |
272 |
|
|
2 |
A1 |
718 |
793 |
1.105 |
117 |
273 |
|
|
3 |
A1 |
345 |
364 |
1.053 |
117 |
274 |
|
|
4 |
B1 |
558 |
652 |
1.169 |
117 |
275 |
|
|
5 |
B2 |
1476 |
1684 |
1.140 |
117 |
276 |
|
|
6 |
B2 |
329 |
408 |
1.242 |
117 |
277 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
536 |
752 |
1.403 |
118 |
278 |
|
|
2 |
A1 |
448 |
529 |
1.180 |
118 |
279 |
|
|
3 |
A1 |
90 |
328 |
3.649 |
118 |
280 |
|
|
4 |
B1 |
263 |
328 |
1.249 |
118 |
281 |
|
|
5 |
B2 |
638 |
702 |
1.100 |
118 |
282 |
|
|
6 |
B2 |
220 |
442 |
2.013 |
118 |
283 |
CCl2O |
Phosgene |
1 |
A1 |
1816 |
1827 |
1.006 |
119 |
284 |
|
|
2 |
A1 |
470 |
567 |
1.206 |
119 |
285 |
|
|
3 |
A1 |
264 |
285 |
1.078 |
119 |
286 |
|
|
4 |
B1 |
520 |
580 |
1.116 |
119 |
287 |
|
|
5 |
B2 |
671 |
849 |
1.265 |
119 |
288 |
|
|
6 |
B2 |
369 |
440 |
1.192 |
119 |
289 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
826 |
820 |
0.993 |
120 |
290 |
|
|
2 |
A1 |
468 |
500 |
1.068 |
120 |
291 |
|
|
3 |
A1 |
243 |
250 |
1.030 |
120 |
292 |
|
|
4 |
B1 |
223 |
260 |
1.165 |
120 |
293 |
|
|
5 |
B2 |
952 |
900 |
0.946 |
120 |
294 |
|
|
6 |
B2 |
193 |
200 |
1.037 |
120 |
295 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
435 |
471 |
1.082 |
121 |
296 |
|
|
2 |
A2" |
448 |
460 |
1.027 |
121 |
297 |
|
|
3 |
E' |
881 |
956 |
1.085 |
121 |
298 |
|
|
4 |
E' |
256 |
243 |
0.951 |
121 |
299 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
884 |
850 |
0.962 |
122 |
300 |
|
|
2 |
A1 |
396 |
450 |
1.135 |
122 |
301 |
|
|
3 |
A1 |
141 |
150 |
1.061 |
122 |
302 |
|
|
4 |
B1 |
200 |
220 |
1.100 |
122 |
303 |
|
|
5 |
B2 |
594 |
610 |
1.028 |
122 |
304 |
|
|
6 |
B2 |
207 |
200 |
0.967 |
122 |
305 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
345 |
375 |
1.087 |
123 |
306 |
|
|
2 |
A2" |
177 |
183 |
1.033 |
123 |
307 |
|
|
3 |
E' |
582 |
595 |
1.022 |
123 |
308 |
|
|
4 |
E' |
130 |
150 |
1.158 |
123 |
309 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
414 |
504 |
1.219 |
124 |
310 |
|
|
2 |
A1 |
178 |
252 |
1.416 |
124 |
311 |
|
|
3 |
E |
406 |
482 |
1.187 |
124 |
312 |
|
|
4 |
E |
134 |
198 |
1.482 |
124 |
313 |
CH4 |
Methane |
1 |
A1 |
2984 |
2917 |
0.978 |
125 |
314 |
|
|
2 |
E |
1597 |
1534 |
0.961 |
125 |
315 |
|
|
3 |
T2 |
3097 |
3019 |
0.975 |
125 |
316 |
|
|
4 |
T2 |
1363 |
1306 |
0.958 |
125 |
317 |
SiH4 |
Silane |
1 |
A1 |
2137 |
2187 |
1.023 |
126 |
318 |
|
|
2 |
E |
935 |
975 |
1.043 |
126 |
319 |
|
|
3 |
T2 |
2164 |
2191 |
1.012 |
126 |
320 |
|
|
4 |
T2 |
832 |
914 |
1.098 |
126 |
321 |
CH2NH |
Methanimine |
1 |
A' |
3145 |
3263 |
1.037 |
127 |
322 |
|
|
2 |
A' |
3045 |
3024 |
0.993 |
127 |
323 |
|
|
3 |
A' |
2919 |
2914 |
0.998 |
127 |
324 |
|
|
4 |
A' |
1641 |
1638 |
0.998 |
127 |
325 |
|
|
5 |
A' |
1487 |
1452 |
0.977 |
127 |
326 |
|
|
6 |
A' |
1324 |
1344 |
1.015 |
127 |
327 |
|
|
7 |
A' |
1065 |
1058 |
0.994 |
127 |
328 |
|
|
8 |
A" |
1150 |
1127 |
0.980 |
127 |
329 |
|
|
9 |
A" |
1069 |
1061 |
0.993 |
127 |
330 |
CH2CO |
Ketene |
1 |
A1 |
3133 |
3070 |
0.980 |
128 |
331 |
|
|
2 |
A1 |
2158 |
2152 |
0.997 |
128 |
332 |
|
|
3 |
A1 |
1406 |
1388 |
0.987 |
128 |
333 |
|
|
4 |
A1 |
1154 |
1118 |
0.969 |
128 |
334 |
|
|
5 |
B1 |
664 |
588 |
0.886 |
128 |
335 |
|
|
6 |
B1 |
580 |
528 |
0.910 |
128 |
336 |
|
|
7 |
B2 |
3213 |
3166 |
0.985 |
128 |
337 |
|
|
8 |
B2 |
1003 |
977 |
0.973 |
128 |
338 |
|
|
9 |
B2 |
474 |
433 |
0.913 |
128 |
339 |
HCOOH |
Formic acid |
1 |
A' |
3309 |
3570 |
1.079 |
129 |
340 |
|
|
2 |
A' |
2996 |
2943 |
0.982 |
129 |
341 |
|
|
3 |
A' |
1709 |
1770 |
1.036 |
129 |
342 |
|
|
4 |
A' |
1376 |
1387 |
1.008 |
129 |
343 |
|
|
5 |
A' |
1289 |
1229 |
0.954 |
129 |
344 |
|
|
6 |
A' |
1020 |
1105 |
1.083 |
129 |
345 |
|
|
7 |
A' |
583 |
625 |
1.072 |
129 |
346 |
|
|
8 |
A" |
1029 |
1033 |
1.003 |
129 |
347 |
|
|
9 |
A" |
695 |
638 |
0.917 |
129 |
348 |
HNO3 |
Nitric acid |
1 |
A' |
3271 |
3550 |
1.085 |
130 |
349 |
|
|
2 |
A' |
1499 |
1708 |
1.139 |
130 |
350 |
|
|
3 |
A' |
1178 |
1331 |
1.130 |
130 |
351 |
|
|
4 |
A' |
1114 |
1325 |
1.189 |
130 |
352 |
|
|
5 |
A' |
807 |
879 |
1.090 |
130 |
353 |
|
|
6 |
A' |
563 |
647 |
1.148 |
130 |
354 |
|
|
7 |
A' |
464 |
579 |
1.248 |
130 |
355 |
|
|
8 |
A" |
643 |
762 |
1.184 |
130 |
356 |
|
|
9 |
A" |
486 |
456 |
0.938 |
130 |
357 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2154 |
2196 |
1.019 |
131 |
358 |
|
|
2 |
Σg |
761 |
786 |
1.033 |
131 |
359 |
|
|
3 |
Σu |
2401 |
2258 |
0.940 |
131 |
360 |
|
|
4 |
Σu |
1555 |
1573 |
1.012 |
131 |
361 |
|
|
5 |
Πg |
619 |
573 |
0.926 |
131 |
362 |
|
|
6 |
Πu |
790 |
550 |
0.696 |
131 |
363 |
|
|
7 |
Πu |
154 |
61 |
0.397 |
131 |
364 |
CH3F |
Methyl fluoride |
1 |
A1 |
2942 |
2930 |
0.996 |
132 |
365 |
|
|
2 |
A1 |
1522 |
1464 |
0.962 |
132 |
366 |
|
|
3 |
A1 |
1040 |
1049 |
1.009 |
132 |
367 |
|
|
4 |
E |
2998 |
3006 |
1.003 |
132 |
368 |
|
|
5 |
E |
1518 |
1467 |
0.967 |
132 |
369 |
|
|
6 |
E |
1156 |
1182 |
1.022 |
132 |
370 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
2945 |
2948 |
1.001 |
133 |
371 |
|
|
2 |
A1 |
1549 |
1508 |
0.974 |
133 |
372 |
|
|
3 |
A1 |
1053 |
1111 |
1.056 |
133 |
373 |
|
|
4 |
A1 |
480 |
529 |
1.101 |
133 |
374 |
|
|
5 |
A2 |
1224 |
1262 |
1.031 |
133 |
375 |
|
|
6 |
B1 |
2988 |
3014 |
1.009 |
133 |
376 |
|
|
7 |
B1 |
1132 |
1178 |
1.041 |
133 |
377 |
|
|
8 |
B2 |
1458 |
1435 |
0.984 |
133 |
378 |
|
|
9 |
B2 |
1090 |
1090 |
1.000 |
133 |
379 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3031 |
3036 |
1.002 |
134 |
380 |
|
|
2 |
A1 |
1073 |
1117 |
1.041 |
134 |
381 |
|
|
3 |
A1 |
631 |
700 |
1.109 |
134 |
382 |
|
|
4 |
E |
1384 |
1372 |
0.991 |
134 |
383 |
|
|
5 |
E |
1141 |
1152 |
1.010 |
134 |
384 |
|
|
6 |
E |
455 |
507 |
1.114 |
134 |
385 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
842 |
909 |
1.079 |
135 |
386 |
|
|
2 |
E |
388 |
435 |
1.120 |
135 |
387 |
|
|
3 |
T2 |
1289 |
1283 |
0.996 |
135 |
388 |
|
|
4 |
T2 |
572 |
631 |
1.104 |
135 |
389 |
SiH3F |
monofluorosilane |
1 |
A1 |
2155 |
2206 |
1.024 |
136 |
390 |
|
|
2 |
A1 |
1027 |
990 |
0.964 |
136 |
391 |
|
|
3 |
A1 |
842 |
872 |
1.036 |
136 |
392 |
|
|
4 |
E |
2162 |
2196 |
1.016 |
136 |
393 |
|
|
5 |
E |
853 |
956 |
1.121 |
136 |
394 |
|
|
6 |
E |
737 |
728 |
0.988 |
136 |
395 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
738 |
800 |
1.084 |
137 |
396 |
|
|
2 |
E |
243 |
268 |
1.102 |
137 |
397 |
|
|
3 |
T2 |
1033 |
1032 |
0.999 |
137 |
398 |
|
|
4 |
T2 |
343 |
389 |
1.135 |
137 |
399 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1259 |
1417 |
1.125 |
138 |
400 |
|
|
2 |
A1 |
754 |
873 |
1.157 |
138 |
401 |
|
|
3 |
A1 |
381 |
472 |
1.238 |
138 |
402 |
|
|
4 |
E |
931 |
991 |
1.064 |
138 |
403 |
|
|
5 |
E |
360 |
482 |
1.338 |
138 |
404 |
|
|
6 |
E |
262 |
336 |
1.284 |
138 |
405 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3042 |
2966 |
0.975 |
139 |
406 |
|
|
2 |
A1 |
1350 |
1355 |
1.003 |
139 |
407 |
|
|
3 |
A1 |
635 |
732 |
1.152 |
139 |
408 |
|
|
4 |
E |
3159 |
3042 |
0.963 |
139 |
409 |
|
|
5 |
E |
1488 |
1455 |
0.978 |
139 |
410 |
|
|
6 |
E |
988 |
1015 |
1.027 |
139 |
411 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2159 |
2201 |
1.019 |
140 |
412 |
|
|
2 |
A1 |
883 |
949 |
1.075 |
140 |
413 |
|
|
3 |
A1 |
460 |
551 |
1.198 |
140 |
414 |
|
|
4 |
E |
2191 |
2195 |
1.002 |
140 |
415 |
|
|
5 |
E |
885 |
954 |
1.078 |
140 |
416 |
|
|
6 |
E |
608 |
664 |
1.093 |
140 |
417 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3096 |
2999 |
0.969 |
141 |
418 |
|
|
2 |
A1 |
1432 |
1467 |
1.024 |
141 |
419 |
|
|
3 |
A1 |
630 |
717 |
1.138 |
141 |
420 |
|
|
4 |
A1 |
252 |
282 |
1.120 |
141 |
421 |
|
|
5 |
A2 |
1124 |
1153 |
1.026 |
141 |
422 |
|
|
6 |
B1 |
3200 |
3040 |
0.950 |
141 |
423 |
|
|
7 |
B1 |
849 |
898 |
1.057 |
141 |
424 |
|
|
8 |
B2 |
1240 |
1268 |
1.023 |
141 |
425 |
|
|
9 |
B2 |
642 |
758 |
1.180 |
141 |
426 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
999 |
1105 |
1.106 |
142 |
427 |
|
|
2 |
A1 |
684 |
781 |
1.142 |
142 |
428 |
|
|
3 |
A1 |
372 |
476 |
1.279 |
142 |
429 |
|
|
4 |
E |
1264 |
1212 |
0.959 |
142 |
430 |
|
|
5 |
E |
504 |
563 |
1.116 |
142 |
431 |
|
|
6 |
E |
289 |
350 |
1.211 |
142 |
432 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2183 |
2224 |
1.019 |
143 |
433 |
|
|
2 |
A1 |
867 |
954 |
1.101 |
143 |
434 |
|
|
3 |
A1 |
444 |
527 |
1.188 |
143 |
435 |
|
|
4 |
A1 |
161 |
188 |
1.168 |
143 |
436 |
|
|
5 |
A2 |
663 |
710 |
1.071 |
143 |
437 |
|
|
6 |
B1 |
2219 |
2237 |
1.008 |
143 |
438 |
|
|
7 |
B1 |
512 |
602 |
1.177 |
143 |
439 |
|
|
8 |
B2 |
803 |
876 |
1.091 |
143 |
440 |
|
|
9 |
B2 |
505 |
590 |
1.167 |
143 |
441 |
CHCl3 |
Chloroform |
1 |
A1 |
3163 |
3034 |
0.959 |
144 |
442 |
|
|
2 |
A1 |
596 |
680 |
1.141 |
144 |
443 |
|
|
3 |
A1 |
324 |
366 |
1.130 |
144 |
444 |
|
|
4 |
E |
1171 |
1220 |
1.041 |
144 |
445 |
|
|
5 |
E |
662 |
774 |
1.170 |
144 |
446 |
|
|
6 |
E |
234 |
260 |
1.113 |
144 |
447 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1087 |
1101 |
1.013 |
145 |
448 |
|
|
2 |
A1 |
587 |
667 |
1.137 |
145 |
449 |
|
|
3 |
A1 |
375 |
458 |
1.222 |
145 |
450 |
|
|
4 |
A1 |
224 |
262 |
1.169 |
145 |
451 |
|
|
5 |
A2 |
268 |
322 |
1.201 |
145 |
452 |
|
|
6 |
B1 |
730 |
902 |
1.236 |
145 |
453 |
|
|
7 |
B1 |
359 |
437 |
1.216 |
145 |
454 |
|
|
8 |
B2 |
1241 |
1159 |
0.934 |
145 |
455 |
|
|
9 |
B2 |
362 |
446 |
1.233 |
145 |
456 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1144 |
1085 |
0.949 |
146 |
457 |
|
|
2 |
A1 |
445 |
535 |
1.202 |
146 |
458 |
|
|
3 |
A1 |
300 |
350 |
1.166 |
146 |
459 |
|
|
4 |
E |
705 |
847 |
1.201 |
146 |
460 |
|
|
5 |
E |
339 |
394 |
1.164 |
146 |
461 |
|
|
6 |
E |
213 |
241 |
1.131 |
146 |
462 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
926 |
1205 |
1.301 |
147 |
463 |
|
|
2 |
A1 |
417 |
577 |
1.382 |
147 |
464 |
|
|
3 |
A1 |
256 |
408 |
1.596 |
147 |
465 |
|
|
4 |
A1 |
107 |
218 |
2.034 |
147 |
466 |
|
|
5 |
A2 |
153 |
282 |
1.843 |
147 |
467 |
|
|
6 |
B1 |
390 |
586 |
1.501 |
147 |
468 |
|
|
7 |
B1 |
228 |
388 |
1.705 |
147 |
469 |
|
|
8 |
B2 |
1103 |
1434 |
1.300 |
147 |
470 |
|
|
9 |
B2 |
206 |
362 |
1.758 |
147 |
471 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2227 |
2261 |
1.015 |
148 |
472 |
|
|
2 |
A1 |
416 |
499 |
1.200 |
148 |
473 |
|
|
3 |
A1 |
205 |
254 |
1.242 |
148 |
474 |
|
|
4 |
E |
713 |
811 |
1.137 |
148 |
475 |
|
|
5 |
E |
519 |
600 |
1.155 |
148 |
476 |
|
|
6 |
E |
150 |
176 |
1.170 |
148 |
477 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
401 |
459 |
1.145 |
149 |
478 |
|
|
2 |
E |
196 |
217 |
1.105 |
149 |
479 |
|
|
3 |
T2 |
682 |
776 |
1.137 |
149 |
480 |
|
|
4 |
T2 |
284 |
314 |
1.106 |
149 |
481 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1140 |
1322 |
1.160 |
150 |
482 |
|
|
2 |
A1 |
350 |
481 |
1.374 |
150 |
483 |
|
|
3 |
A1 |
182 |
266 |
1.462 |
150 |
484 |
|
|
4 |
E |
433 |
590 |
1.362 |
150 |
485 |
|
|
5 |
E |
246 |
333 |
1.355 |
150 |
486 |
|
|
6 |
E |
130 |
187 |
1.434 |
150 |
487 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
349 |
424 |
1.215 |
151 |
488 |
|
|
2 |
E |
128 |
150 |
1.173 |
151 |
489 |
|
|
3 |
T2 |
542 |
621 |
1.147 |
151 |
490 |
|
|
4 |
T2 |
182 |
221 |
1.211 |
151 |
491 |
C2H4 |
Ethylene |
1 |
Ag |
3090 |
3026 |
0.979 |
152 |
492 |
|
|
2 |
Ag |
1658 |
1623 |
0.979 |
152 |
493 |
|
|
3 |
Ag |
1389 |
1342 |
0.967 |
152 |
494 |
|
|
4 |
Au |
1049 |
1023 |
0.976 |
152 |
495 |
|
|
5 |
B1u |
3074 |
2989 |
0.972 |
152 |
496 |
|
|
6 |
B1u |
1485 |
1444 |
0.972 |
152 |
497 |
|
|
7 |
B2g |
945 |
940 |
0.995 |
152 |
498 |
|
|
8 |
B2u |
3176 |
3105 |
0.978 |
152 |
499 |
|
|
9 |
B2u |
846 |
826 |
0.976 |
152 |
500 |
|
|
10 |
B3g |
3143 |
3086 |
0.982 |
152 |
501 |
|
|
11 |
B3g |
1244 |
1217 |
0.978 |
152 |
502 |
|
|
12 |
B3u |
949 |
949 |
1.000 |
152 |
503 |
C3H3 |
Propargyl radical |
1 |
A1 |
3413 |
3322 |
0.973 |
153 |
504 |
|
|
6 |
B1 |
684 |
687 |
1.005 |
153 |
505 |
|
|
7 |
B1 |
450 |
490 |
1.089 |
153 |
506 |
N2H4 |
Hydrazine |
1 |
A |
3341 |
3398 |
1.017 |
154 |
507 |
|
|
2 |
A |
3195 |
3329 |
1.042 |
154 |
508 |
|
|
3 |
A |
1688 |
1642 |
0.973 |
154 |
509 |
|
|
4 |
A |
1281 |
1275 |
0.995 |
154 |
510 |
|
|
5 |
A |
1097 |
1076 |
0.981 |
154 |
511 |
|
|
6 |
A |
598 |
780 |
1.304 |
154 |
512 |
|
|
7 |
A |
407 |
377 |
0.925 |
154 |
513 |
|
|
8 |
B |
3350 |
3350 |
1.000 |
154 |
514 |
|
|
9 |
B |
3170 |
3314 |
1.046 |
154 |
515 |
|
|
10 |
B |
1669 |
1628 |
0.975 |
154 |
516 |
|
|
11 |
B |
1255 |
1275 |
1.016 |
154 |
517 |
|
|
12 |
B |
878 |
966 |
1.100 |
154 |
518 |
CH3CN |
Acetonitrile |
1 |
A1 |
2992 |
2954 |
0.987 |
155 |
519 |
|
|
2 |
A1 |
2270 |
2267 |
0.999 |
155 |
520 |
|
|
3 |
A1 |
1426 |
1385 |
0.971 |
155 |
521 |
|
|
4 |
A1 |
917 |
920 |
1.004 |
155 |
522 |
|
|
5 |
E |
3062 |
3009 |
0.983 |
155 |
523 |
|
|
6 |
E |
1496 |
1448 |
0.968 |
155 |
524 |
|
|
7 |
E |
1080 |
1041 |
0.964 |
155 |
525 |
|
|
8 |
E |
449 |
362 |
0.807 |
155 |
526 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2316 |
2290 |
0.989 |
156 |
527 |
|
|
2 |
Σg |
2116 |
2119 |
1.001 |
156 |
528 |
|
|
3 |
Σg |
614 |
692 |
1.127 |
156 |
529 |
|
|
4 |
Σu |
2244 |
2241 |
0.999 |
156 |
530 |
|
|
5 |
Σu |
1184 |
1154 |
0.975 |
156 |
531 |
|
|
6 |
Πg |
946 |
504 |
0.533 |
156 |
532 |
|
|
7 |
Πg |
342 |
263 |
0.770 |
156 |
533 |
|
|
8 |
Πu |
716 |
472 |
0.659 |
156 |
534 |
|
|
9 |
Πu |
117 |
107 |
0.912 |
156 |
535 |
CH3OH |
Methyl alcohol |
1 |
A' |
3348 |
3681 |
1.100 |
157 |
536 |
|
|
2 |
A' |
3052 |
3000 |
0.983 |
157 |
537 |
|
|
3 |
A' |
2897 |
2844 |
0.982 |
157 |
538 |
|
|
4 |
A' |
1539 |
1477 |
0.960 |
157 |
539 |
|
|
5 |
A' |
1480 |
1455 |
0.983 |
157 |
540 |
|
|
6 |
A' |
1371 |
1345 |
0.981 |
157 |
541 |
|
|
7 |
A' |
1058 |
1060 |
1.002 |
157 |
542 |
|
|
8 |
A' |
967 |
1033 |
1.068 |
157 |
543 |
|
|
9 |
A" |
2929 |
2960 |
1.011 |
157 |
544 |
|
|
10 |
A" |
1515 |
1477 |
0.975 |
157 |
545 |
|
|
11 |
A" |
1119 |
1165 |
1.041 |
157 |
546 |
|
|
12 |
A" |
396 |
200 |
0.505 |
157 |
547 |
C2H2O2 |
Ethanedial |
1 |
Ag |
2861 |
2843 |
0.994 |
158 |
548 |
|
|
2 |
Ag |
1659 |
1745 |
1.052 |
158 |
549 |
|
|
3 |
Ag |
1350 |
1338 |
0.991 |
158 |
550 |
|
|
4 |
Ag |
982 |
1065 |
1.085 |
158 |
551 |
|
|
5 |
Ag |
527 |
551 |
1.046 |
158 |
552 |
|
|
6 |
Au |
833 |
801 |
0.962 |
158 |
553 |
|
|
7 |
Au |
195 |
127 |
0.651 |
158 |
554 |
|
|
8 |
Bg |
1076 |
1048 |
0.974 |
158 |
555 |
|
|
9 |
Bu |
2858 |
2835 |
0.992 |
158 |
556 |
|
|
10 |
Bu |
1658 |
1732 |
1.045 |
158 |
557 |
|
|
11 |
Bu |
1305 |
1312 |
1.006 |
158 |
558 |
|
|
12 |
Bu |
297 |
339 |
1.140 |
158 |
559 |
CH3SH |
Methanethiol |
1 |
A' |
3128 |
3000 |
0.959 |
159 |
560 |
|
|
2 |
A' |
3023 |
2931 |
0.970 |
159 |
561 |
|
|
3 |
A' |
2397 |
2597 |
1.084 |
159 |
562 |
|
|
4 |
A' |
1497 |
1475 |
0.985 |
159 |
563 |
|
|
5 |
A' |
1353 |
1335 |
0.987 |
159 |
564 |
|
|
6 |
A' |
1069 |
1074 |
1.005 |
159 |
565 |
|
|
7 |
A' |
773 |
803 |
1.039 |
159 |
566 |
|
|
8 |
A' |
635 |
708 |
1.115 |
159 |
567 |
|
|
9 |
A" |
3123 |
3000 |
0.961 |
159 |
568 |
|
|
10 |
A" |
1497 |
1430 |
0.955 |
159 |
569 |
|
|
11 |
A" |
955 |
976 |
1.022 |
159 |
570 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3219 |
3115 |
0.968 |
160 |
571 |
|
|
2 |
A' |
3132 |
3080 |
0.983 |
160 |
572 |
|
|
3 |
A' |
3114 |
3052 |
0.980 |
160 |
573 |
|
|
4 |
A' |
1681 |
1654 |
0.984 |
160 |
574 |
|
|
5 |
A' |
1434 |
1380 |
0.962 |
160 |
575 |
|
|
6 |
A' |
1344 |
1306 |
0.972 |
160 |
576 |
|
|
7 |
A' |
1160 |
1156 |
0.996 |
160 |
577 |
|
|
8 |
A' |
934 |
929 |
0.994 |
160 |
578 |
|
|
9 |
A' |
467 |
483 |
1.034 |
160 |
579 |
|
|
10 |
A" |
974 |
940 |
0.965 |
160 |
580 |
|
|
11 |
A" |
876 |
863 |
0.985 |
160 |
581 |
|
|
12 |
A" |
719 |
711 |
0.988 |
160 |
582 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3166 |
3070 |
0.970 |
161 |
583 |
|
|
2 |
A1 |
1741 |
1728 |
0.993 |
161 |
584 |
|
|
3 |
A1 |
1430 |
1360 |
0.951 |
161 |
585 |
|
|
4 |
A1 |
908 |
926 |
1.019 |
161 |
586 |
|
|
5 |
A1 |
509 |
550 |
1.080 |
161 |
587 |
|
|
6 |
A2 |
703 |
714 |
1.016 |
161 |
588 |
|
|
7 |
B1 |
840 |
803 |
0.956 |
161 |
589 |
|
|
8 |
B1 |
629 |
611 |
0.971 |
161 |
590 |
|
|
9 |
B2 |
3263 |
3154 |
0.967 |
161 |
591 |
|
|
10 |
B2 |
1321 |
1302 |
0.986 |
161 |
592 |
|
|
11 |
B2 |
952 |
955 |
1.003 |
161 |
593 |
|
|
12 |
B2 |
420 |
438 |
1.043 |
161 |
594 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2287 |
2275 |
0.995 |
162 |
595 |
|
|
2 |
A1 |
1171 |
1227 |
1.048 |
162 |
596 |
|
|
3 |
A1 |
753 |
802 |
1.065 |
162 |
597 |
|
|
4 |
A1 |
481 |
522 |
1.084 |
162 |
598 |
|
|
5 |
E |
1192 |
1214 |
1.019 |
162 |
599 |
|
|
6 |
E |
618 |
618 |
0.999 |
162 |
600 |
|
|
7 |
E |
438 |
463 |
1.058 |
162 |
601 |
|
|
8 |
E |
190 |
196 |
1.032 |
162 |
602 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1838 |
1872 |
1.018 |
163 |
603 |
|
|
2 |
Ag |
753 |
778 |
1.033 |
163 |
604 |
|
|
3 |
Ag |
371 |
394 |
1.061 |
163 |
605 |
|
|
4 |
Au |
184 |
190 |
1.033 |
163 |
606 |
|
|
5 |
B1u |
1161 |
1186 |
1.021 |
163 |
607 |
|
|
6 |
B1u |
512 |
558 |
1.090 |
163 |
608 |
|
|
7 |
B2g |
526 |
508 |
0.966 |
163 |
609 |
|
|
8 |
B2u |
1329 |
1337 |
1.006 |
163 |
610 |
|
|
9 |
B2u |
203 |
218 |
1.076 |
163 |
611 |
|
|
10 |
B3g |
1295 |
1340 |
1.035 |
163 |
612 |
|
|
11 |
B3g |
510 |
551 |
1.080 |
163 |
613 |
|
|
12 |
B3u |
422 |
406 |
0.962 |
163 |
614 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
712 |
816 |
1.146 |
164 |
615 |
|
|
2 |
A1' |
673 |
648 |
0.963 |
164 |
616 |
|
|
3 |
A2" |
988 |
947 |
0.959 |
164 |
617 |
|
|
4 |
A2" |
444 |
575 |
1.295 |
164 |
618 |
|
|
5 |
E' |
1000 |
1024 |
1.024 |
164 |
619 |
|
|
6 |
E' |
412 |
533 |
1.295 |
164 |
620 |
|
|
7 |
E' |
150 |
174 |
1.157 |
164 |
621 |
|
|
8 |
E" |
381 |
520 |
1.364 |
164 |
622 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3263 |
3602 |
1.104 |
165 |
623 |
|
|
2 |
A |
1219 |
1486 |
1.219 |
165 |
624 |
|
|
3 |
A |
1085 |
1243 |
1.146 |
165 |
625 |
|
|
4 |
A |
992 |
1150 |
1.160 |
165 |
626 |
|
|
5 |
A |
733 |
896 |
1.222 |
165 |
627 |
|
|
6 |
A |
645 |
823 |
1.276 |
165 |
628 |
|
|
7 |
A |
385 |
562 |
1.459 |
165 |
629 |
|
|
8 |
A |
358 |
551 |
1.540 |
165 |
630 |
|
|
9 |
A |
348 |
518 |
1.489 |
165 |
631 |
|
|
10 |
A |
296 |
409 |
1.382 |
165 |
632 |
|
|
11 |
A |
245 |
390 |
1.593 |
165 |
633 |
|
|
12 |
A |
179 |
266 |
1.489 |
165 |
634 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3202 |
3121 |
0.975 |
166 |
635 |
|
|
2 |
A' |
3186 |
3086 |
0.969 |
166 |
636 |
|
|
3 |
A' |
3101 |
3030 |
0.977 |
166 |
637 |
|
|
4 |
A' |
1637 |
1608 |
0.982 |
166 |
638 |
|
|
5 |
A' |
1412 |
1368 |
0.969 |
166 |
639 |
|
|
6 |
A' |
1265 |
1279 |
1.011 |
166 |
640 |
|
|
7 |
A' |
1024 |
1030 |
1.006 |
166 |
641 |
|
|
8 |
A' |
622 |
720 |
1.157 |
166 |
642 |
|
|
9 |
A' |
378 |
395 |
1.046 |
166 |
643 |
|
|
10 |
A" |
941 |
941 |
1.000 |
166 |
644 |
|
|
11 |
A" |
911 |
896 |
0.983 |
166 |
645 |
|
|
12 |
A" |
612 |
620 |
1.012 |
166 |
646 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3121 |
3035 |
0.972 |
167 |
647 |
|
|
2 |
A1 |
1650 |
1627 |
0.986 |
167 |
648 |
|
|
3 |
A1 |
1415 |
1400 |
0.990 |
167 |
649 |
|
|
4 |
A1 |
532 |
603 |
1.132 |
167 |
650 |
|
|
5 |
A1 |
264 |
299 |
1.134 |
167 |
651 |
|
|
6 |
A2 |
679 |
686 |
1.011 |
167 |
652 |
|
|
7 |
B1 |
898 |
875 |
0.974 |
167 |
653 |
|
|
8 |
B1 |
431 |
460 |
1.067 |
167 |
654 |
|
|
9 |
B2 |
3213 |
3130 |
0.974 |
167 |
655 |
|
|
10 |
B2 |
1084 |
1095 |
1.010 |
167 |
656 |
|
|
11 |
B2 |
690 |
800 |
1.159 |
167 |
657 |
|
|
12 |
B2 |
359 |
372 |
1.036 |
167 |
658 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3205 |
3077 |
0.960 |
168 |
659 |
|
|
2 |
A1 |
1631 |
1587 |
0.973 |
168 |
660 |
|
|
3 |
A1 |
1176 |
1179 |
1.003 |
168 |
661 |
|
|
4 |
A1 |
632 |
711 |
1.124 |
168 |
662 |
|
|
5 |
A1 |
161 |
173 |
1.078 |
168 |
663 |
|
|
6 |
A2 |
881 |
876 |
0.995 |
168 |
664 |
|
|
7 |
A2 |
391 |
406 |
1.039 |
168 |
665 |
|
|
8 |
B1 |
706 |
697 |
0.987 |
168 |
666 |
|
|
9 |
B2 |
3179 |
3072 |
0.966 |
168 |
667 |
|
|
10 |
B2 |
1272 |
1303 |
1.025 |
168 |
668 |
|
|
11 |
B2 |
765 |
857 |
1.120 |
168 |
669 |
|
|
12 |
B2 |
522 |
571 |
1.093 |
168 |
670 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3215 |
3073 |
0.956 |
169 |
671 |
|
|
2 |
Ag |
1624 |
1578 |
0.972 |
169 |
672 |
|
|
3 |
Ag |
1256 |
1274 |
1.014 |
169 |
673 |
|
|
4 |
Ag |
752 |
846 |
1.124 |
169 |
674 |
|
|
5 |
Ag |
321 |
350 |
1.090 |
169 |
675 |
|
|
6 |
Au |
900 |
900 |
1.000 |
169 |
676 |
|
|
7 |
Au |
200 |
227 |
1.134 |
169 |
677 |
|
|
8 |
Bg |
767 |
763 |
0.995 |
169 |
678 |
|
|
9 |
Bu |
3210 |
3090 |
0.963 |
169 |
679 |
|
|
10 |
Bu |
1178 |
1200 |
1.019 |
169 |
680 |
|
|
11 |
Bu |
719 |
828 |
1.152 |
169 |
681 |
|
|
12 |
Bu |
219 |
250 |
1.143 |
169 |
682 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3211 |
3082 |
0.960 |
170 |
683 |
|
|
2 |
A' |
1638 |
1586 |
0.968 |
170 |
684 |
|
|
3 |
A' |
1230 |
1247 |
1.014 |
170 |
685 |
|
|
4 |
A' |
826 |
931 |
1.127 |
170 |
686 |
|
|
5 |
A' |
743 |
840 |
1.131 |
170 |
687 |
|
|
6 |
A' |
567 |
630 |
1.111 |
170 |
688 |
|
|
7 |
A' |
350 |
384 |
1.099 |
170 |
689 |
|
|
8 |
A' |
247 |
277 |
1.120 |
170 |
690 |
|
|
9 |
A' |
160 |
178 |
1.113 |
170 |
691 |
|
|
10 |
A" |
791 |
780 |
0.986 |
170 |
692 |
|
|
11 |
A" |
437 |
451 |
1.031 |
170 |
693 |
|
|
12 |
A" |
189 |
215 |
1.138 |
170 |
694 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1128 |
1122 |
0.995 |
171 |
695 |
|
|
2 |
A1 |
380 |
401 |
1.055 |
171 |
696 |
|
|
3 |
A1 |
171 |
176 |
1.030 |
171 |
697 |
|
|
5 |
B2 |
670 |
728 |
1.087 |
171 |
698 |
|
|
6 |
B2 |
285 |
289 |
1.014 |
171 |
699 |
|
|
7 |
E |
829 |
917 |
1.107 |
171 |
700 |
|
|
8 |
E |
473 |
512 |
1.083 |
171 |
701 |
|
|
9 |
E |
89 |
104 |
1.165 |
171 |
702 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1638 |
1571 |
0.959 |
172 |
703 |
|
|
2 |
Ag |
397 |
447 |
1.125 |
172 |
704 |
|
|
3 |
Ag |
214 |
237 |
1.106 |
172 |
705 |
|
|
4 |
Au |
94 |
110 |
1.176 |
172 |
706 |
|
|
5 |
B1u |
695 |
777 |
1.118 |
172 |
707 |
|
|
6 |
B1u |
277 |
310 |
1.118 |
172 |
708 |
|
|
7 |
B2g |
504 |
512 |
1.016 |
172 |
709 |
|
|
8 |
B2u |
807 |
908 |
1.125 |
172 |
710 |
|
|
9 |
B2u |
163 |
176 |
1.080 |
172 |
711 |
|
|
10 |
B3g |
879 |
1000 |
1.137 |
172 |
712 |
|
|
11 |
B3g |
325 |
347 |
1.069 |
172 |
713 |
|
|
12 |
B3u |
266 |
288 |
1.083 |
172 |
714 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
293 |
394 |
1.344 |
173 |
715 |
|
|
2 |
A1' |
243 |
264 |
1.087 |
173 |
716 |
|
|
3 |
A2" |
409 |
465 |
1.137 |
173 |
717 |
|
|
4 |
A2" |
216 |
299 |
1.384 |
173 |
718 |
|
|
5 |
E' |
446 |
592 |
1.327 |
173 |
719 |
|
|
6 |
E' |
191 |
273 |
1.426 |
173 |
720 |
|
|
7 |
E' |
55 |
100 |
1.832 |
173 |
721 |
|
|
8 |
E" |
186 |
282 |
1.515 |
173 |
722 |
CH3CCH |
propyne |
1 |
A1 |
3424 |
3334 |
0.974 |
174 |
723 |
|
|
2 |
A1 |
2974 |
2918 |
0.981 |
174 |
724 |
|
|
3 |
A1 |
2186 |
2124 |
0.971 |
174 |
725 |
|
|
4 |
A1 |
1421 |
1382 |
0.973 |
174 |
726 |
|
|
5 |
A1 |
919 |
931 |
1.013 |
174 |
727 |
|
|
6 |
E |
3037 |
3008 |
0.990 |
174 |
728 |
|
|
7 |
E |
1502 |
1452 |
0.967 |
174 |
729 |
|
|
8 |
E |
1064 |
1053 |
0.990 |
174 |
730 |
|
|
9 |
E |
659 |
633 |
0.960 |
174 |
731 |
|
|
10 |
E |
333 |
328 |
0.986 |
174 |
732 |
CH2CCH2 |
allene |
1 |
A1 |
3069 |
3015 |
0.982 |
175 |
733 |
|
|
2 |
A1 |
1478 |
1443 |
0.976 |
175 |
734 |
|
|
3 |
A1 |
1099 |
1073 |
0.976 |
175 |
735 |
|
|
4 |
B1 |
878 |
865 |
0.985 |
175 |
736 |
|
|
5 |
B2 |
3066 |
3007 |
0.981 |
175 |
737 |
|
|
6 |
B2 |
2025 |
1957 |
0.967 |
175 |
738 |
|
|
7 |
B2 |
1438 |
1398 |
0.972 |
175 |
739 |
|
|
8 |
E |
3137 |
3086 |
0.984 |
175 |
740 |
|
|
9 |
E |
1026 |
999 |
0.973 |
175 |
741 |
|
|
10 |
E |
854 |
841 |
0.985 |
175 |
742 |
|
|
11 |
E |
349 |
355 |
1.017 |
175 |
743 |
C3H4 |
cyclopropene |
1 |
A1 |
3269 |
3158 |
0.966 |
176 |
744 |
|
|
2 |
A1 |
3024 |
2909 |
0.962 |
176 |
745 |
|
|
3 |
A1 |
1662 |
1653 |
0.994 |
176 |
746 |
|
|
4 |
A1 |
1513 |
1483 |
0.980 |
176 |
747 |
|
|
5 |
A1 |
1099 |
1110 |
1.010 |
176 |
748 |
|
|
6 |
A1 |
902 |
905 |
1.003 |
176 |
749 |
|
|
7 |
A2 |
1009 |
996 |
0.987 |
176 |
750 |
|
|
8 |
A2 |
859 |
820 |
0.955 |
176 |
751 |
|
|
9 |
B1 |
3102 |
2995 |
0.966 |
176 |
752 |
|
|
10 |
B1 |
1085 |
1088 |
1.003 |
176 |
753 |
|
|
11 |
B1 |
629 |
569 |
0.905 |
176 |
754 |
|
|
12 |
B2 |
3219 |
3124 |
0.971 |
176 |
755 |
|
|
13 |
B2 |
1056 |
1043 |
0.988 |
176 |
756 |
|
|
14 |
B2 |
1017 |
1011 |
0.994 |
176 |
757 |
|
|
15 |
B2 |
724 |
769 |
1.063 |
176 |
758 |
CH3NH2 |
methyl amine |
1 |
A' |
3299 |
3361 |
1.019 |
177 |
759 |
|
|
2 |
A' |
2997 |
2961 |
0.988 |
177 |
760 |
|
|
3 |
A' |
2840 |
2820 |
0.993 |
177 |
761 |
|
|
4 |
A' |
1681 |
1623 |
0.966 |
177 |
762 |
|
|
5 |
A' |
1518 |
1473 |
0.970 |
177 |
763 |
|
|
6 |
A' |
1456 |
1430 |
0.982 |
177 |
764 |
|
|
7 |
A' |
1137 |
1130 |
0.994 |
177 |
765 |
|
|
8 |
A' |
1031 |
1044 |
1.013 |
177 |
766 |
|
|
9 |
A' |
688 |
780 |
1.134 |
177 |
767 |
|
|
10 |
A" |
3399 |
3427 |
1.008 |
177 |
768 |
|
|
11 |
A" |
3042 |
2985 |
0.981 |
177 |
769 |
|
|
12 |
A" |
1545 |
1485 |
0.961 |
177 |
770 |
|
|
13 |
A" |
1334 |
1335 |
1.000 |
177 |
771 |
|
|
14 |
A" |
972 |
|
|
177 |
772 |
|
|
15 |
A" |
335 |
268 |
0.800 |
177 |
773 |
C3H3N |
acrylonitrile |
1 |
A' |
3196 |
3125 |
0.978 |
178 |
774 |
|
|
2 |
A' |
3107 |
3078 |
0.991 |
178 |
775 |
|
|
3 |
A' |
3101 |
3042 |
0.981 |
178 |
776 |
|
|
4 |
A' |
2239 |
2239 |
1.000 |
178 |
777 |
|
|
5 |
A' |
1628 |
1615 |
0.992 |
178 |
778 |
|
|
6 |
A' |
1450 |
1416 |
0.976 |
178 |
779 |
|
|
7 |
A' |
1318 |
1282 |
0.973 |
178 |
780 |
|
|
8 |
A' |
1113 |
1096 |
0.985 |
178 |
781 |
|
|
9 |
A' |
873 |
869 |
0.996 |
178 |
782 |
|
|
10 |
A' |
607 |
570 |
0.939 |
178 |
783 |
|
|
11 |
A' |
258 |
242 |
0.936 |
178 |
784 |
|
|
12 |
A" |
987 |
972 |
0.985 |
178 |
785 |
|
|
13 |
A" |
953 |
954 |
1.001 |
178 |
786 |
|
|
14 |
A" |
744 |
683 |
0.918 |
178 |
787 |
|
|
15 |
A" |
389 |
362 |
0.931 |
178 |
788 |
C3H2N2 |
Malononitrile |
1 |
A1 |
2982 |
2935 |
0.984 |
179 |
789 |
|
|
2 |
A1 |
2278 |
2275 |
0.999 |
179 |
790 |
|
|
3 |
A1 |
1451 |
1395 |
0.962 |
179 |
791 |
|
|
4 |
A1 |
890 |
890 |
1.000 |
179 |
792 |
|
|
5 |
A1 |
615 |
582 |
0.946 |
179 |
793 |
|
|
6 |
A1 |
166 |
167 |
1.006 |
179 |
794 |
|
|
7 |
A2 |
1284 |
1220 |
0.950 |
179 |
795 |
|
|
8 |
A2 |
447 |
367 |
0.820 |
179 |
796 |
|
|
9 |
B1 |
3019 |
2968 |
0.983 |
179 |
797 |
|
|
10 |
B1 |
938 |
933 |
0.995 |
179 |
798 |
|
|
11 |
B1 |
408 |
337 |
0.827 |
179 |
799 |
|
|
12 |
B2 |
2271 |
2275 |
1.002 |
179 |
800 |
|
|
13 |
B2 |
1337 |
1318 |
0.986 |
179 |
801 |
|
|
14 |
B2 |
970 |
982 |
1.013 |
179 |
802 |
|
|
15 |
B2 |
443 |
366 |
0.826 |
179 |
803 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3485 |
3447 |
0.989 |
180 |
804 |
|
|
2 |
A' |
3246 |
3102 |
0.956 |
180 |
805 |
|
|
3 |
A' |
1371 |
1441 |
1.051 |
180 |
806 |
|
|
4 |
A' |
1314 |
1384 |
1.054 |
180 |
807 |
|
|
5 |
A' |
1164 |
1259 |
1.082 |
180 |
808 |
|
|
6 |
A' |
1107 |
1159 |
1.047 |
180 |
809 |
|
|
7 |
A' |
1017 |
1084 |
1.066 |
180 |
810 |
|
|
8 |
A' |
970 |
1015 |
1.046 |
180 |
811 |
|
|
9 |
A' |
934 |
1002 |
1.073 |
180 |
812 |
|
|
10 |
A' |
803 |
969 |
1.207 |
180 |
813 |
|
|
11 |
A' |
731 |
925 |
1.265 |
180 |
814 |
|
|
12 |
A" |
866 |
906 |
1.046 |
180 |
815 |
|
|
13 |
A" |
659 |
663 |
1.006 |
180 |
816 |
|
|
14 |
A" |
651 |
658 |
1.011 |
180 |
817 |
|
|
15 |
A" |
596 |
578 |
0.969 |
180 |
818 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3101 |
3014 |
0.972 |
181 |
819 |
|
|
2 |
A' |
2975 |
2923 |
0.983 |
181 |
820 |
|
|
3 |
A' |
2784 |
2716 |
0.975 |
181 |
821 |
|
|
4 |
A' |
1699 |
1743 |
1.026 |
181 |
822 |
|
|
5 |
A' |
1470 |
1433 |
0.975 |
181 |
823 |
|
|
6 |
A' |
1410 |
1395 |
0.990 |
181 |
824 |
|
|
7 |
A' |
1372 |
1352 |
0.985 |
181 |
825 |
|
|
8 |
A' |
1099 |
1114 |
1.014 |
181 |
826 |
|
|
9 |
A' |
857 |
867 |
1.011 |
181 |
827 |
|
|
10 |
A' |
477 |
509 |
1.068 |
181 |
828 |
|
|
11 |
A" |
3033 |
2964 |
0.977 |
181 |
829 |
|
|
12 |
A" |
1490 |
1431 |
0.960 |
181 |
830 |
|
|
13 |
A" |
1120 |
1102 |
0.984 |
181 |
831 |
|
|
14 |
A" |
786 |
764 |
0.972 |
181 |
832 |
|
|
15 |
A" |
166 |
150 |
0.905 |
181 |
833 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3046 |
3006 |
0.987 |
182 |
834 |
|
|
2 |
A1 |
1523 |
1467 |
0.963 |
182 |
835 |
|
|
3 |
A1 |
1197 |
1267 |
1.059 |
182 |
836 |
|
|
4 |
A1 |
1086 |
1146 |
1.055 |
182 |
837 |
|
|
5 |
A1 |
822 |
857 |
1.042 |
182 |
838 |
|
|
6 |
A2 |
3119 |
3063 |
0.982 |
182 |
839 |
|
|
7 |
A2 |
1155 |
1050 |
0.909 |
182 |
840 |
|
|
8 |
A2 |
956 |
1020 |
1.067 |
182 |
841 |
|
|
9 |
B1 |
3139 |
3065 |
0.976 |
182 |
842 |
|
|
10 |
B1 |
1074 |
1146 |
1.067 |
182 |
843 |
|
|
11 |
B1 |
812 |
797 |
0.982 |
182 |
844 |
|
|
12 |
B2 |
3036 |
3006 |
0.990 |
182 |
845 |
|
|
13 |
B2 |
1503 |
1459 |
0.970 |
182 |
846 |
|
|
14 |
B2 |
1075 |
1159 |
1.078 |
182 |
847 |
|
|
15 |
B2 |
761 |
824 |
1.082 |
182 |
848 |
H2SO4 |
Sulfuric acid |
1 |
A |
3272 |
3563 |
1.089 |
183 |
849 |
|
|
2 |
A |
1162 |
1216 |
1.047 |
183 |
850 |
|
|
3 |
A |
978 |
1136 |
1.161 |
183 |
851 |
|
|
4 |
A |
634 |
831 |
1.311 |
183 |
852 |
|
|
5 |
A |
399 |
548 |
1.375 |
183 |
853 |
|
|
6 |
A |
360 |
422 |
1.172 |
183 |
854 |
|
|
7 |
A |
238 |
379 |
1.593 |
183 |
855 |
|
|
8 |
A |
154 |
224 |
1.457 |
183 |
856 |
|
|
9 |
B |
3273 |
3567 |
1.090 |
183 |
857 |
|
|
10 |
B |
1208 |
1452 |
1.203 |
183 |
858 |
|
|
11 |
B |
1079 |
1157 |
1.073 |
183 |
859 |
|
|
12 |
B |
710 |
882 |
1.243 |
183 |
860 |
|
|
13 |
B |
366 |
558 |
1.525 |
183 |
861 |
|
|
14 |
B |
362 |
506 |
1.399 |
183 |
862 |
|
|
15 |
B |
184 |
288 |
1.563 |
183 |
863 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3127 |
3043 |
0.973 |
184 |
864 |
|
|
2 |
A' |
3008 |
2955 |
0.982 |
184 |
865 |
|
|
3 |
A' |
1812 |
1870 |
1.032 |
184 |
866 |
|
|
4 |
A' |
1482 |
1440 |
0.972 |
184 |
867 |
|
|
5 |
A' |
1397 |
1378 |
0.986 |
184 |
868 |
|
|
6 |
A' |
1189 |
1188 |
0.999 |
184 |
869 |
|
|
7 |
A' |
989 |
1000 |
1.012 |
184 |
870 |
|
|
8 |
A' |
815 |
826 |
1.014 |
184 |
871 |
|
|
9 |
A' |
565 |
598 |
1.058 |
184 |
872 |
|
|
10 |
A' |
376 |
420 |
1.117 |
184 |
873 |
|
|
11 |
A" |
3068 |
3004 |
0.979 |
184 |
874 |
|
|
12 |
A" |
1494 |
1437 |
0.962 |
184 |
875 |
|
|
13 |
A" |
1067 |
1054 |
0.988 |
184 |
876 |
|
|
14 |
A" |
558 |
567 |
1.015 |
184 |
877 |
|
|
15 |
A" |
138 |
123 |
0.892 |
184 |
878 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
611 |
774 |
1.265 |
185 |
879 |
|
|
2 |
Eg |
608 |
642 |
1.056 |
185 |
880 |
|
|
3 |
T1u |
912 |
948 |
1.039 |
185 |
881 |
|
|
4 |
T1u |
406 |
616 |
1.514 |
185 |
882 |
|
|
5 |
T2g |
341 |
525 |
1.538 |
185 |
883 |
|
|
6 |
T2u |
215 |
347 |
1.615 |
185 |
884 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3100 |
3027 |
0.977 |
186 |
885 |
|
|
2 |
A' |
3006 |
2948 |
0.981 |
186 |
886 |
|
|
3 |
A' |
1847 |
1818 |
0.984 |
186 |
887 |
|
|
4 |
A' |
1471 |
1415 |
0.962 |
186 |
888 |
|
|
5 |
A' |
1393 |
1368 |
0.982 |
186 |
889 |
|
|
6 |
A' |
1084 |
1108 |
1.022 |
186 |
890 |
|
|
7 |
A' |
916 |
956 |
1.044 |
186 |
891 |
|
|
8 |
A' |
530 |
604 |
1.139 |
186 |
892 |
|
|
9 |
A' |
370 |
445 |
1.204 |
186 |
893 |
|
|
10 |
A' |
323 |
348 |
1.076 |
186 |
894 |
|
|
11 |
A" |
3083 |
2990 |
0.970 |
186 |
895 |
|
|
12 |
A" |
1478 |
1431 |
0.968 |
186 |
896 |
|
|
13 |
A" |
1053 |
1032 |
0.980 |
186 |
897 |
|
|
14 |
A" |
498 |
518 |
1.040 |
186 |
898 |
|
|
15 |
A" |
168 |
166 |
0.990 |
186 |
899 |
C2H6 |
Ethane |
1 |
A1g |
2983 |
2954 |
0.990 |
187 |
900 |
|
|
2 |
A1g |
1413 |
1388 |
0.982 |
187 |
901 |
|
|
3 |
A1g |
972 |
995 |
1.024 |
187 |
902 |
|
|
4 |
A1u |
306 |
289 |
0.945 |
187 |
903 |
|
|
5 |
A2u |
2984 |
2896 |
0.971 |
187 |
904 |
|
|
6 |
A2u |
1421 |
1379 |
0.971 |
187 |
905 |
|
|
7 |
Eg |
3038 |
2969 |
0.977 |
187 |
906 |
|
|
8 |
Eg |
1527 |
1468 |
0.961 |
187 |
907 |
|
|
9 |
Eg |
1217 |
1190 |
0.978 |
187 |
908 |
|
|
10 |
Eu |
3066 |
2985 |
0.974 |
187 |
909 |
|
|
11 |
Eu |
1528 |
1469 |
0.962 |
187 |
910 |
|
|
12 |
Eu |
838 |
822 |
0.981 |
187 |
911 |
CH3SiH3 |
methyl silane |
1 |
A1 |
2992 |
2898 |
0.969 |
188 |
912 |
|
|
2 |
A1 |
2118 |
2166 |
1.023 |
188 |
913 |
|
|
3 |
A1 |
1319 |
1260 |
0.955 |
188 |
914 |
|
|
4 |
A1 |
876 |
940 |
1.073 |
188 |
915 |
|
|
5 |
A1 |
678 |
700 |
1.032 |
188 |
916 |
|
|
6 |
A2 |
179 |
187 |
1.043 |
188 |
917 |
|
|
7 |
E |
3078 |
2982 |
0.969 |
188 |
918 |
|
|
8 |
E |
2132 |
2169 |
1.017 |
188 |
919 |
|
|
9 |
E |
1490 |
1403 |
0.941 |
188 |
920 |
|
|
10 |
E |
923 |
980 |
1.061 |
188 |
921 |
|
|
11 |
E |
897 |
868 |
0.967 |
188 |
922 |
|
|
12 |
E |
511 |
540 |
1.056 |
188 |
923 |
Si2H6 |
disilane |
1 |
A1g |
2130 |
2152 |
1.010 |
189 |
924 |
|
|
2 |
A1g |
844 |
909 |
1.077 |
189 |
925 |
|
|
3 |
A1g |
401 |
434 |
1.084 |
189 |
926 |
|
|
4 |
A1u |
134 |
131 |
0.976 |
189 |
927 |
|
|
5 |
A2u |
2122 |
2154 |
1.015 |
189 |
928 |
|
|
6 |
A2u |
788 |
844 |
1.071 |
189 |
929 |
|
|
7 |
Eg |
2145 |
2155 |
1.005 |
189 |
930 |
|
|
8 |
Eg |
899 |
929 |
1.034 |
189 |
931 |
|
|
9 |
Eg |
604 |
625 |
1.034 |
189 |
932 |
|
|
10 |
Eu |
2156 |
2179 |
1.011 |
189 |
933 |
|
|
11 |
Eu |
905 |
940 |
1.038 |
189 |
934 |
|
|
12 |
Eu |
383 |
379 |
0.991 |
189 |
935 |
C2H5N |
Aziridine |
1 |
A' |
3201 |
3338 |
1.043 |
190 |
936 |
|
|
2 |
A' |
3166 |
3079 |
0.973 |
190 |
937 |
|
|
3 |
A' |
3073 |
3015 |
0.981 |
190 |
938 |
|
|
4 |
A' |
1502 |
1482 |
0.987 |
190 |
939 |
|
|
5 |
A' |
1288 |
1237 |
0.960 |
190 |
940 |
|
|
6 |
A' |
1137 |
1211 |
1.065 |
190 |
941 |
|
|
7 |
A' |
1058 |
1090 |
1.030 |
190 |
942 |
|
|
8 |
A' |
970 |
998 |
1.028 |
190 |
943 |
|
|
9 |
A' |
818 |
856 |
1.047 |
190 |
944 |
|
|
10 |
A' |
687 |
773 |
1.125 |
190 |
945 |
|
|
11 |
A" |
3157 |
3079 |
0.975 |
190 |
946 |
|
|
12 |
A" |
3067 |
3015 |
0.983 |
190 |
947 |
|
|
13 |
A" |
1488 |
1463 |
0.983 |
190 |
948 |
|
|
14 |
A" |
1239 |
1268 |
1.024 |
190 |
949 |
|
|
15 |
A" |
1130 |
1131 |
1.001 |
190 |
950 |
|
|
16 |
A" |
1056 |
1095 |
1.036 |
190 |
951 |
|
|
17 |
A" |
862 |
904 |
1.049 |
190 |
952 |
|
|
18 |
A" |
757 |
817 |
1.080 |
190 |
953 |
CH3COOH |
Acetic acid |
1 |
A' |
3334 |
3583 |
1.075 |
191 |
954 |
|
|
2 |
A' |
3126 |
3051 |
0.976 |
191 |
955 |
|
|
3 |
A' |
3011 |
2944 |
0.978 |
191 |
956 |
|
|
4 |
A' |
1740 |
1788 |
1.028 |
191 |
957 |
|
|
5 |
A' |
1484 |
1430 |
0.963 |
191 |
958 |
|
|
6 |
A' |
1391 |
1382 |
0.993 |
191 |
959 |
|
|
7 |
A' |
1335 |
1264 |
0.947 |
191 |
960 |
|
|
8 |
A' |
1136 |
1182 |
1.040 |
191 |
961 |
|
|
9 |
A' |
957 |
989 |
1.033 |
191 |
962 |
|
|
10 |
A' |
818 |
847 |
1.036 |
191 |
963 |
|
|
11 |
A' |
542 |
657 |
1.212 |
191 |
964 |
|
|
12 |
A' |
392 |
|
|
191 |
965 |
|
|
13 |
A" |
3074 |
2996 |
0.975 |
191 |
966 |
|
|
14 |
A" |
1496 |
1430 |
0.956 |
191 |
967 |
|
|
15 |
A" |
1063 |
1048 |
0.986 |
191 |
968 |
|
|
16 |
A" |
673 |
642 |
0.953 |
191 |
969 |
|
|
17 |
A" |
540 |
534 |
0.988 |
191 |
970 |
|
|
18 |
A" |
78 |
93 |
1.191 |
191 |
971 |
CH3OCHO |
methyl formate |
1 |
A' |
3125 |
3045 |
0.975 |
192 |
972 |
|
|
2 |
A' |
3000 |
2969 |
0.990 |
192 |
973 |
|
|
3 |
A' |
2979 |
2943 |
0.988 |
192 |
974 |
|
|
4 |
A' |
1684 |
1754 |
1.042 |
192 |
975 |
|
|
5 |
A' |
1512 |
1454 |
0.962 |
192 |
976 |
|
|
6 |
A' |
1428 |
1445 |
1.012 |
192 |
977 |
|
|
7 |
A' |
1345 |
1371 |
1.019 |
192 |
978 |
|
|
8 |
A' |
1138 |
1207 |
1.061 |
192 |
979 |
|
|
9 |
A' |
1096 |
1166 |
1.064 |
192 |
980 |
|
|
10 |
A' |
869 |
925 |
1.065 |
192 |
981 |
|
|
11 |
A' |
729 |
767 |
1.053 |
192 |
982 |
|
|
12 |
A' |
280 |
318 |
1.136 |
192 |
983 |
|
|
13 |
A" |
3072 |
3012 |
0.981 |
192 |
984 |
|
|
14 |
A" |
1495 |
1443 |
0.965 |
192 |
985 |
|
|
15 |
A" |
1119 |
1168 |
1.044 |
192 |
986 |
|
|
16 |
A" |
993 |
1032 |
1.039 |
192 |
987 |
|
|
17 |
A" |
343 |
332 |
0.968 |
192 |
988 |
|
|
18 |
A" |
37 |
130 |
3.477 |
192 |
989 |
C3H3NO |
Isoxazole |
1 |
A' |
3250 |
3160 |
0.972 |
193 |
990 |
|
|
2 |
A' |
3219 |
3128 |
0.972 |
193 |
991 |
|
|
3 |
A' |
3197 |
3086 |
0.965 |
193 |
992 |
|
|
4 |
A' |
1506 |
1561 |
1.037 |
193 |
993 |
|
|
5 |
A' |
1364 |
1433 |
1.050 |
193 |
994 |
|
|
6 |
A' |
1324 |
1371 |
1.036 |
193 |
995 |
|
|
7 |
A' |
1174 |
1218 |
1.038 |
193 |
996 |
|
|
8 |
A' |
1112 |
1130 |
1.016 |
193 |
997 |
|
|
9 |
A' |
1059 |
1096 |
1.035 |
193 |
998 |
|
|
10 |
A' |
994 |
1024 |
1.030 |
193 |
999 |
|
|
11 |
A' |
909 |
920 |
1.011 |
193 |
1000 |
|
|
12 |
A' |
870 |
900 |
1.035 |
193 |
1001 |
|
|
13 |
A' |
756 |
857 |
1.134 |
193 |
1002 |
|
|
14 |
A" |
893 |
890 |
0.996 |
193 |
1003 |
|
|
15 |
A" |
852 |
866 |
1.017 |
193 |
1004 |
|
|
16 |
A" |
767 |
765 |
0.997 |
193 |
1005 |
|
|
17 |
A" |
615 |
631 |
1.025 |
193 |
1006 |
|
|
18 |
A" |
569 |
592 |
1.040 |
193 |
1007 |
C3H3NO |
Oxazole |
1 |
A' |
3274 |
3170 |
0.968 |
194 |
1008 |
|
|
2 |
A' |
3257 |
3144 |
0.965 |
194 |
1009 |
|
|
3 |
A' |
3238 |
3141 |
0.970 |
194 |
1010 |
|
|
4 |
A' |
1477 |
1537 |
1.041 |
194 |
1011 |
|
|
5 |
A' |
1423 |
1504 |
1.057 |
194 |
1012 |
|
|
6 |
A' |
1286 |
1324 |
1.029 |
194 |
1013 |
|
|
7 |
A' |
1224 |
1252 |
1.023 |
194 |
1014 |
|
|
8 |
A' |
1120 |
1139 |
1.017 |
194 |
1015 |
|
|
9 |
A' |
1032 |
1086 |
1.052 |
194 |
1016 |
|
|
10 |
A' |
1004 |
1078 |
1.074 |
194 |
1017 |
|
|
11 |
A' |
955 |
1046 |
1.095 |
194 |
1018 |
|
|
12 |
A' |
873 |
899 |
1.030 |
194 |
1019 |
|
|
13 |
A' |
853 |
854 |
1.001 |
194 |
1020 |
|
|
14 |
A" |
874 |
907 |
1.038 |
194 |
1021 |
|
|
15 |
A" |
807 |
830 |
1.028 |
194 |
1022 |
|
|
16 |
A" |
758 |
750 |
0.990 |
194 |
1023 |
|
|
17 |
A" |
644 |
647 |
1.005 |
194 |
1024 |
|
|
18 |
A" |
605 |
607 |
1.003 |
194 |
1025 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3038 |
2974 |
0.979 |
195 |
1026 |
|
|
2 |
A1 |
1439 |
1412 |
0.981 |
195 |
1027 |
|
|
3 |
A1 |
1248 |
1278 |
1.024 |
195 |
1028 |
|
|
4 |
A1 |
790 |
828 |
1.049 |
195 |
1029 |
|
|
5 |
A1 |
544 |
606 |
1.113 |
195 |
1030 |
|
|
6 |
A2 |
266 |
225 |
0.847 |
195 |
1031 |
|
|
7 |
E |
3120 |
3042 |
0.975 |
195 |
1032 |
|
|
8 |
E |
1509 |
1450 |
0.961 |
195 |
1033 |
|
|
9 |
E |
1265 |
1230 |
0.972 |
195 |
1034 |
|
|
10 |
E |
984 |
964 |
0.979 |
195 |
1035 |
|
|
11 |
E |
495 |
540 |
1.091 |
195 |
1036 |
|
|
12 |
E |
324 |
365 |
1.127 |
195 |
1037 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1303 |
1420 |
1.090 |
196 |
1038 |
|
|
2 |
A1g |
739 |
809 |
1.095 |
196 |
1039 |
|
|
3 |
A1g |
332 |
349 |
1.052 |
196 |
1040 |
|
|
4 |
A1u |
63 |
68 |
1.085 |
196 |
1041 |
|
|
5 |
A2u |
1080 |
1117 |
1.034 |
196 |
1042 |
|
|
6 |
A2u |
634 |
714 |
1.126 |
196 |
1043 |
|
|
7 |
Eg |
1204 |
1237 |
1.027 |
196 |
1044 |
|
|
8 |
Eg |
573 |
620 |
1.082 |
196 |
1045 |
|
|
9 |
Eg |
340 |
380 |
1.119 |
196 |
1046 |
|
|
10 |
Eu |
1249 |
1251 |
1.001 |
196 |
1047 |
|
|
11 |
Eu |
472 |
523 |
1.107 |
196 |
1048 |
|
|
12 |
Eu |
196 |
216 |
1.104 |
196 |
1049 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3066 |
2967 |
0.968 |
197 |
1050 |
|
|
2 |
A' |
3052 |
2946 |
0.965 |
197 |
1051 |
|
|
3 |
A' |
2984 |
2881 |
0.965 |
197 |
1052 |
|
|
4 |
A' |
1518 |
1463 |
0.963 |
197 |
1053 |
|
|
5 |
A' |
1489 |
1448 |
0.972 |
197 |
1054 |
|
|
6 |
A' |
1418 |
1385 |
0.977 |
197 |
1055 |
|
|
7 |
A' |
1275 |
1289 |
1.011 |
197 |
1056 |
|
|
8 |
A' |
1072 |
1081 |
1.008 |
197 |
1057 |
|
|
9 |
A' |
968 |
974 |
1.006 |
197 |
1058 |
|
|
10 |
A' |
594 |
677 |
1.140 |
197 |
1059 |
|
|
11 |
A' |
317 |
336 |
1.060 |
197 |
1060 |
|
|
12 |
A" |
3132 |
3014 |
0.962 |
197 |
1061 |
|
|
13 |
A" |
3084 |
2986 |
0.968 |
197 |
1062 |
|
|
14 |
A" |
1501 |
1448 |
0.965 |
197 |
1063 |
|
|
15 |
A" |
1264 |
1251 |
0.990 |
197 |
1064 |
|
|
16 |
A" |
1039 |
974 |
0.938 |
197 |
1065 |
|
|
17 |
A" |
789 |
786 |
0.996 |
197 |
1066 |
|
|
18 |
A" |
255 |
251 |
0.984 |
197 |
1067 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3074 |
2957 |
0.962 |
198 |
1068 |
|
|
1 |
A |
3120 |
3005 |
0.963 |
198 |
1069 |
|
|
2 |
A |
3050 |
2957 |
0.969 |
198 |
1070 |
|
|
2 |
Ag |
1488 |
1445 |
0.971 |
198 |
1071 |
|
|
3 |
Ag |
1278 |
1304 |
1.020 |
198 |
1072 |
|
|
3 |
A |
1461 |
1433 |
0.981 |
198 |
1073 |
|
|
4 |
A |
1305 |
1315 |
1.008 |
198 |
1074 |
|
|
4 |
Ag |
1052 |
1052 |
1.000 |
198 |
1075 |
|
|
5 |
Ag |
662 |
754 |
1.138 |
198 |
1076 |
|
|
5 |
A |
1191 |
1207 |
1.013 |
198 |
1077 |
|
|
6 |
A |
1024 |
1027 |
1.002 |
198 |
1078 |
|
|
6 |
Ag |
278 |
300 |
1.080 |
198 |
1079 |
|
|
7 |
Au |
3170 |
3005 |
0.948 |
198 |
1080 |
|
|
7 |
A |
909 |
948 |
1.043 |
198 |
1081 |
|
|
8 |
A |
600 |
669 |
1.116 |
198 |
1082 |
|
|
8 |
Au |
1106 |
1123 |
1.016 |
198 |
1083 |
|
|
9 |
Au |
777 |
773 |
0.994 |
198 |
1084 |
|
|
9 |
A |
257 |
272 |
1.060 |
198 |
1085 |
|
|
10 |
A |
105 |
125 |
1.193 |
198 |
1086 |
|
|
10 |
Au |
113 |
123 |
1.090 |
198 |
1087 |
|
|
11 |
Bg |
3144 |
3005 |
0.956 |
198 |
1088 |
|
|
11 |
B |
3136 |
3005 |
0.958 |
198 |
1089 |
|
|
12 |
B |
3042 |
2957 |
0.972 |
198 |
1090 |
|
|
12 |
Bg |
1286 |
1264 |
0.983 |
198 |
1091 |
|
|
13 |
Bg |
946 |
989 |
1.045 |
198 |
1092 |
|
|
13 |
B |
1464 |
1436 |
0.981 |
198 |
1093 |
|
|
14 |
B |
1282 |
1292 |
1.008 |
198 |
1094 |
|
|
14 |
Bu |
3083 |
2983 |
0.968 |
198 |
1095 |
|
|
15 |
Bu |
1487 |
1461 |
0.983 |
198 |
1096 |
|
|
15 |
B |
1135 |
1146 |
1.009 |
198 |
1097 |
|
|
16 |
B |
856 |
890 |
1.039 |
198 |
1098 |
|
|
16 |
Bu |
1220 |
1232 |
1.010 |
198 |
1099 |
|
|
17 |
Bu |
639 |
728 |
1.139 |
198 |
1100 |
|
|
17 |
B |
617 |
693 |
1.122 |
198 |
1101 |
|
|
18 |
B |
392 |
410 |
1.046 |
198 |
1102 |
|
|
18 |
Bu |
200 |
222 |
1.109 |
198 |
1103 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3010 |
2951 |
0.981 |
199 |
1104 |
|
|
2 |
A1 |
1422 |
1386 |
0.975 |
199 |
1105 |
|
|
3 |
A1 |
1069 |
1075 |
1.006 |
199 |
1106 |
|
|
4 |
A1 |
478 |
526 |
1.102 |
199 |
1107 |
|
|
5 |
A1 |
312 |
344 |
1.104 |
199 |
1108 |
|
|
6 |
A2 |
303 |
214 |
0.706 |
199 |
1109 |
|
|
7 |
E |
3097 |
3014 |
0.973 |
199 |
1110 |
|
|
8 |
E |
1488 |
1457 |
0.979 |
199 |
1111 |
|
|
9 |
E |
1104 |
1088 |
0.986 |
199 |
1112 |
|
|
10 |
E |
644 |
724 |
1.124 |
199 |
1113 |
|
|
11 |
E |
328 |
351 |
1.070 |
199 |
1114 |
|
|
12 |
E |
219 |
239 |
1.093 |
199 |
1115 |
C3H6 |
Cyclopropane |
1 |
A1' |
3103 |
3038 |
0.979 |
200 |
1116 |
|
|
2 |
A1' |
1492 |
1479 |
0.991 |
200 |
1117 |
|
|
3 |
A1' |
1147 |
1188 |
1.036 |
200 |
1118 |
|
|
4 |
A1" |
1129 |
1126 |
0.997 |
200 |
1119 |
|
|
5 |
A2' |
1078 |
1070 |
0.993 |
200 |
1120 |
|
|
6 |
A2" |
3201 |
3103 |
0.969 |
200 |
1121 |
|
|
7 |
A2" |
841 |
854 |
1.015 |
200 |
1122 |
|
|
8 |
E' |
3095 |
3025 |
0.977 |
200 |
1123 |
|
|
9 |
E' |
1469 |
1438 |
0.979 |
200 |
1124 |
|
|
10 |
E' |
1038 |
1029 |
0.991 |
200 |
1125 |
|
|
11 |
E' |
844 |
866 |
1.026 |
200 |
1126 |
|
|
12 |
E" |
3176 |
3082 |
0.970 |
200 |
1127 |
|
|
13 |
E" |
1190 |
1188 |
0.998 |
200 |
1128 |
|
|
14 |
E" |
736 |
739 |
1.004 |
200 |
1129 |
CH2CHCH3 |
Propene |
1 |
A' |
3163 |
3090 |
0.977 |
201 |
1130 |
|
|
2 |
A' |
3081 |
3013 |
0.978 |
201 |
1131 |
|
|
3 |
A' |
3074 |
2991 |
0.973 |
201 |
1132 |
|
|
4 |
A' |
3050 |
2954 |
0.968 |
201 |
1133 |
|
|
5 |
A' |
2965 |
2871 |
0.968 |
201 |
1134 |
|
|
6 |
A' |
1672 |
1650 |
0.987 |
201 |
1135 |
|
|
7 |
A' |
1512 |
1470 |
0.972 |
201 |
1136 |
|
|
8 |
A' |
1452 |
1420 |
0.978 |
201 |
1137 |
|
|
9 |
A' |
1412 |
1378 |
0.976 |
201 |
1138 |
|
|
10 |
A' |
1327 |
1297 |
0.978 |
201 |
1139 |
|
|
11 |
A' |
1185 |
1171 |
0.988 |
201 |
1140 |
|
|
12 |
A' |
959 |
963 |
1.005 |
201 |
1141 |
|
|
13 |
A' |
906 |
920 |
1.015 |
201 |
1142 |
|
|
14 |
A' |
426 |
428 |
1.004 |
201 |
1143 |
|
|
15 |
A" |
3016 |
2954 |
0.979 |
201 |
1144 |
|
|
16 |
A" |
1502 |
1443 |
0.961 |
201 |
1145 |
|
|
17 |
A" |
1068 |
1045 |
0.979 |
201 |
1146 |
|
|
18 |
A" |
1008 |
991 |
0.984 |
201 |
1147 |
|
|
19 |
A" |
914 |
912 |
0.998 |
201 |
1148 |
|
|
20 |
A" |
577 |
578 |
1.002 |
201 |
1149 |
|
|
21 |
A" |
201 |
174 |
0.864 |
201 |
1150 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3533 |
3523 |
0.997 |
202 |
1151 |
|
|
2 |
A' |
3242 |
3155 |
0.973 |
202 |
1152 |
|
|
3 |
A' |
3216 |
3137 |
0.975 |
202 |
1153 |
|
|
4 |
A' |
3211 |
3126 |
0.974 |
202 |
1154 |
|
|
5 |
A' |
1485 |
1531 |
1.031 |
202 |
1155 |
|
|
6 |
A' |
1399 |
1447 |
1.035 |
202 |
1156 |
|
|
7 |
A' |
1359 |
1395 |
1.027 |
202 |
1157 |
|
|
8 |
A' |
1308 |
1358 |
1.038 |
202 |
1158 |
|
|
9 |
A' |
1201 |
1254 |
1.044 |
202 |
1159 |
|
|
10 |
A' |
1117 |
1159 |
1.037 |
202 |
1160 |
|
|
11 |
A' |
1105 |
1121 |
1.014 |
202 |
1161 |
|
|
12 |
A' |
1041 |
1054 |
1.012 |
202 |
1162 |
|
|
13 |
A' |
955 |
1009 |
1.057 |
202 |
1163 |
|
|
14 |
A' |
920 |
924 |
1.004 |
202 |
1164 |
|
|
15 |
A' |
902 |
908 |
1.007 |
202 |
1165 |
|
|
16 |
A" |
892 |
879 |
0.985 |
202 |
1166 |
|
|
17 |
A" |
833 |
833 |
1.000 |
202 |
1167 |
|
|
18 |
A" |
745 |
745 |
1.000 |
202 |
1168 |
|
|
19 |
A" |
661 |
674 |
1.020 |
202 |
1169 |
|
|
20 |
A" |
633 |
623 |
0.985 |
202 |
1170 |
|
|
21 |
A" |
555 |
516 |
0.929 |
202 |
1171 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3488 |
3517 |
1.008 |
203 |
1172 |
|
|
2 |
A' |
3244 |
3143 |
0.969 |
203 |
1173 |
|
|
3 |
A' |
3222 |
3123 |
0.969 |
203 |
1174 |
|
|
4 |
A' |
3218 |
3110 |
0.967 |
203 |
1175 |
|
|
5 |
A' |
1482 |
1448 |
0.977 |
203 |
1176 |
|
|
6 |
A' |
1416 |
1404 |
0.991 |
203 |
1177 |
|
|
7 |
A' |
1349 |
1328 |
0.985 |
203 |
1178 |
|
|
8 |
A' |
1282 |
1265 |
0.987 |
203 |
1179 |
|
|
9 |
A' |
1238 |
1188 |
0.960 |
203 |
1180 |
|
|
10 |
A' |
1122 |
1098 |
0.978 |
203 |
1181 |
|
|
11 |
A' |
1088 |
1062 |
0.976 |
203 |
1182 |
|
|
12 |
A' |
1062 |
1013 |
0.954 |
203 |
1183 |
|
|
13 |
A' |
1023 |
988 |
0.965 |
203 |
1184 |
|
|
14 |
A' |
931 |
923 |
0.991 |
203 |
1185 |
|
|
15 |
A' |
884 |
898 |
1.016 |
203 |
1186 |
|
|
16 |
A" |
866 |
831 |
0.960 |
203 |
1187 |
|
|
17 |
A" |
799 |
758 |
0.948 |
203 |
1188 |
|
|
18 |
A" |
733 |
674 |
0.920 |
203 |
1189 |
|
|
19 |
A" |
666 |
663 |
0.996 |
203 |
1190 |
|
|
20 |
A" |
638 |
621 |
0.973 |
203 |
1191 |
|
|
21 |
A" |
611 |
539 |
0.882 |
203 |
1192 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3139 |
3042 |
0.969 |
204 |
1193 |
|
|
2 |
A1' |
1143 |
1132 |
0.990 |
204 |
1194 |
|
|
3 |
A1' |
918 |
992 |
1.081 |
204 |
1195 |
|
|
4 |
A2' |
1368 |
1278 |
0.934 |
204 |
1196 |
|
|
5 |
A2' |
1032 |
1068 |
1.035 |
204 |
1197 |
|
|
6 |
A2" |
916 |
925 |
1.010 |
204 |
1198 |
|
|
7 |
A2" |
756 |
737 |
0.975 |
204 |
1199 |
|
|
8 |
E' |
3128 |
3056 |
0.977 |
204 |
1200 |
|
|
9 |
E' |
1438 |
1555 |
1.082 |
204 |
1201 |
|
|
10 |
E' |
1368 |
1410 |
1.031 |
204 |
1202 |
|
|
11 |
E' |
1105 |
1176 |
1.064 |
204 |
1203 |
|
|
12 |
E' |
665 |
657 |
0.987 |
204 |
1204 |
|
|
13 |
E" |
1002 |
830 |
0.828 |
204 |
1205 |
|
|
14 |
E" |
321 |
340 |
1.059 |
204 |
1206 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3062 |
2996 |
0.978 |
205 |
1207 |
|
|
2 |
A1 |
2906 |
2817 |
0.969 |
205 |
1208 |
|
|
3 |
A1 |
1543 |
1464 |
0.949 |
205 |
1209 |
|
|
4 |
A1 |
1476 |
1452 |
0.984 |
205 |
1210 |
|
|
5 |
A1 |
1208 |
1244 |
1.030 |
205 |
1211 |
|
|
6 |
A1 |
869 |
928 |
1.068 |
205 |
1212 |
|
|
7 |
A1 |
394 |
418 |
1.060 |
205 |
1213 |
|
|
8 |
A2 |
2939 |
2952 |
1.005 |
205 |
1214 |
|
|
9 |
A2 |
1494 |
1464 |
0.980 |
205 |
1215 |
|
|
10 |
A2 |
1110 |
1150 |
1.036 |
205 |
1216 |
|
|
11 |
A2 |
256 |
203 |
0.793 |
205 |
1217 |
|
|
12 |
B1 |
2936 |
2925 |
0.996 |
205 |
1218 |
|
|
13 |
B1 |
1501 |
1464 |
0.975 |
205 |
1219 |
|
|
14 |
B1 |
1145 |
1179 |
1.029 |
205 |
1220 |
|
|
15 |
B1 |
249 |
242 |
0.970 |
205 |
1221 |
|
|
16 |
B2 |
3060 |
2996 |
0.979 |
205 |
1222 |
|
|
17 |
B2 |
2892 |
2817 |
0.974 |
205 |
1223 |
|
|
18 |
B2 |
1521 |
1464 |
0.962 |
205 |
1224 |
|
|
19 |
B2 |
1434 |
1452 |
1.012 |
205 |
1225 |
|
|
20 |
B2 |
1110 |
1227 |
1.106 |
205 |
1226 |
|
|
21 |
B2 |
1053 |
1102 |
1.046 |
205 |
1227 |
C4H4O |
Furan |
1 |
A1 |
3259 |
3161 |
0.970 |
206 |
1228 |
|
|
2 |
A1 |
3222 |
3140 |
0.975 |
206 |
1229 |
|
|
3 |
A1 |
1442 |
1491 |
1.034 |
206 |
1230 |
|
|
4 |
A1 |
1359 |
1384 |
1.019 |
206 |
1231 |
|
|
5 |
A1 |
1130 |
1140 |
1.009 |
206 |
1232 |
|
|
6 |
A1 |
1054 |
1066 |
1.011 |
206 |
1233 |
|
|
7 |
A1 |
974 |
995 |
1.021 |
206 |
1234 |
|
|
8 |
A1 |
853 |
871 |
1.021 |
206 |
1235 |
|
|
9 |
A2 |
867 |
838 |
0.967 |
206 |
1236 |
|
|
10 |
A2 |
714 |
728 |
1.019 |
206 |
1237 |
|
|
11 |
A2 |
604 |
603 |
0.998 |
206 |
1238 |
|
|
12 |
B1 |
835 |
863 |
1.033 |
206 |
1239 |
|
|
13 |
B1 |
737 |
745 |
1.011 |
206 |
1240 |
|
|
14 |
B1 |
600 |
613 |
1.021 |
206 |
1241 |
|
|
15 |
B2 |
3249 |
3154 |
0.971 |
206 |
1242 |
|
|
16 |
B2 |
3210 |
3129 |
0.975 |
206 |
1243 |
|
|
17 |
B2 |
1528 |
1556 |
1.018 |
206 |
1244 |
|
|
18 |
B2 |
1253 |
1267 |
1.011 |
206 |
1245 |
|
|
19 |
B2 |
1142 |
1180 |
1.033 |
206 |
1246 |
|
|
20 |
B2 |
1001 |
1040 |
1.039 |
206 |
1247 |
|
|
21 |
B2 |
880 |
873 |
0.993 |
206 |
1248 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3049 |
3001 |
0.984 |
207 |
1249 |
|
|
2 |
A' |
3041 |
2935 |
0.965 |
207 |
1250 |
|
|
3 |
A' |
1853 |
1882 |
1.016 |
207 |
1251 |
|
|
4 |
A' |
1509 |
1475 |
0.977 |
207 |
1252 |
|
|
5 |
A' |
1447 |
1427 |
0.986 |
207 |
1253 |
|
|
6 |
A' |
1261 |
1319 |
1.046 |
207 |
1254 |
|
|
7 |
A' |
1209 |
1199 |
0.991 |
207 |
1255 |
|
|
8 |
A' |
987 |
1093 |
1.107 |
207 |
1256 |
|
|
9 |
A' |
966 |
1005 |
1.040 |
207 |
1257 |
|
|
10 |
A' |
841 |
924 |
1.099 |
207 |
1258 |
|
|
11 |
A' |
832 |
891 |
1.071 |
207 |
1259 |
|
|
12 |
A' |
698 |
746 |
1.069 |
207 |
1260 |
|
|
13 |
A' |
456 |
513 |
1.125 |
207 |
1261 |
|
|
14 |
A" |
3120 |
3028 |
0.971 |
207 |
1262 |
|
|
15 |
A" |
3099 |
3000 |
0.968 |
207 |
1263 |
|
|
16 |
A" |
1193 |
1184 |
0.992 |
207 |
1264 |
|
|
17 |
A" |
1082 |
1139 |
1.053 |
207 |
1265 |
|
|
18 |
A" |
1023 |
1046 |
1.022 |
207 |
1266 |
|
|
19 |
A" |
785 |
790 |
1.006 |
207 |
1267 |
|
|
20 |
A" |
498 |
490 |
0.985 |
207 |
1268 |
|
|
21 |
A" |
165 |
113 |
0.683 |
207 |
1269 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3061 |
2966 |
0.969 |
208 |
1270 |
|
|
1 |
A |
3098 |
2980 |
0.962 |
208 |
1271 |
|
|
2 |
A |
3069 |
2967 |
0.967 |
208 |
1272 |
|
|
2 |
A' |
3026 |
2872 |
0.949 |
208 |
1273 |
|
|
3 |
A' |
2989 |
2872 |
0.961 |
208 |
1274 |
|
|
3 |
A |
3047 |
2930 |
0.961 |
208 |
1275 |
|
|
4 |
A |
3030 |
2902 |
0.958 |
208 |
1276 |
|
|
4 |
A' |
2406 |
2580 |
1.072 |
208 |
1277 |
|
|
5 |
A' |
1523 |
1453 |
0.954 |
208 |
1278 |
|
|
5 |
A |
2979 |
2875 |
0.965 |
208 |
1279 |
|
|
6 |
A |
2393 |
2591 |
1.083 |
208 |
1280 |
|
|
6 |
A' |
1489 |
1453 |
0.976 |
208 |
1281 |
|
|
7 |
A' |
1418 |
1385 |
0.977 |
208 |
1282 |
|
|
7 |
A |
1518 |
1462 |
0.963 |
208 |
1283 |
|
|
8 |
A |
1511 |
1452 |
0.961 |
208 |
1284 |
|
|
8 |
A' |
1277 |
1309 |
1.025 |
208 |
1285 |
|
|
9 |
A' |
1090 |
1097 |
1.006 |
208 |
1286 |
|
|
9 |
A |
1487 |
1437 |
0.967 |
208 |
1287 |
|
|
10 |
A |
1417 |
1377 |
0.971 |
208 |
1288 |
|
|
10 |
A' |
981 |
978 |
0.997 |
208 |
1289 |
|
|
11 |
A' |
810 |
870 |
1.074 |
208 |
1290 |
|
|
11 |
A |
1284 |
1269 |
0.988 |
208 |
1291 |
|
|
12 |
A |
1271 |
1246 |
0.981 |
208 |
1292 |
|
|
12 |
A' |
611 |
660 |
1.080 |
208 |
1293 |
|
|
13 |
A' |
297 |
332 |
1.116 |
208 |
1294 |
|
|
13 |
A |
1100 |
1093 |
0.994 |
208 |
1295 |
|
|
14 |
A |
1052 |
1051 |
0.999 |
208 |
1296 |
|
|
14 |
A" |
3098 |
2966 |
0.957 |
208 |
1297 |
|
|
15 |
A" |
3065 |
2930 |
0.956 |
208 |
1298 |
|
|
15 |
A |
971 |
970 |
0.999 |
208 |
1299 |
|
|
16 |
A |
856 |
867 |
1.012 |
208 |
1300 |
|
|
16 |
A" |
1513 |
1453 |
0.960 |
208 |
1301 |
|
|
17 |
A" |
1271 |
1269 |
0.999 |
208 |
1302 |
|
|
17 |
A |
727 |
735 |
1.012 |
208 |
1303 |
|
|
18 |
A |
602 |
658 |
1.094 |
208 |
1304 |
|
|
18 |
A" |
1030 |
1049 |
1.019 |
208 |
1305 |
|
|
19 |
A" |
787 |
745 |
0.946 |
208 |
1306 |
|
|
19 |
A |
319 |
319 |
1.000 |
208 |
1307 |
|
|
20 |
A |
263 |
|
|
208 |
1308 |
|
|
21 |
A |
205 |
|
|
208 |
1309 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3112 |
2997 |
0.963 |
209 |
1310 |
|
|
2 |
A1 |
3002 |
2925 |
0.974 |
209 |
1311 |
|
|
3 |
A1 |
1499 |
1447 |
0.965 |
209 |
1312 |
|
|
4 |
A1 |
1360 |
1337 |
0.983 |
209 |
1313 |
|
|
5 |
A1 |
1040 |
1030 |
0.991 |
209 |
1314 |
|
|
6 |
A1 |
623 |
695 |
1.115 |
209 |
1315 |
|
|
7 |
A1 |
236 |
280 |
1.186 |
209 |
1316 |
|
|
8 |
A2 |
3100 |
2970 |
0.958 |
209 |
1317 |
|
|
9 |
A2 |
1483 |
1427 |
0.962 |
209 |
1318 |
|
|
10 |
A2 |
937 |
946 |
1.010 |
209 |
1319 |
|
|
11 |
A2 |
164 |
175 |
1.067 |
209 |
1320 |
|
|
12 |
B1 |
3095 |
2970 |
0.960 |
209 |
1321 |
|
|
13 |
B1 |
1493 |
1439 |
0.964 |
209 |
1322 |
|
|
14 |
B1 |
973 |
973 |
1.001 |
209 |
1323 |
|
|
15 |
B1 |
159 |
183 |
1.149 |
209 |
1324 |
|
|
16 |
B2 |
3113 |
2999 |
0.963 |
209 |
1325 |
|
|
17 |
B2 |
3005 |
2919 |
0.972 |
209 |
1326 |
|
|
18 |
B2 |
1489 |
1442 |
0.968 |
209 |
1327 |
|
|
19 |
B2 |
1333 |
1315 |
0.987 |
209 |
1328 |
|
|
20 |
B2 |
916 |
903 |
0.985 |
209 |
1329 |
|
|
21 |
B2 |
662 |
742 |
1.121 |
209 |
1330 |
C4H4S |
Thiophene |
1 |
A1 |
3233 |
3126 |
0.967 |
210 |
1331 |
|
|
2 |
A1 |
3176 |
3098 |
0.975 |
210 |
1332 |
|
|
3 |
A1 |
1432 |
1409 |
0.984 |
210 |
1333 |
|
|
4 |
A1 |
1355 |
1360 |
1.004 |
210 |
1334 |
|
|
5 |
A1 |
1108 |
1083 |
0.977 |
210 |
1335 |
|
|
6 |
A1 |
1019 |
1036 |
1.017 |
210 |
1336 |
|
|
7 |
A1 |
773 |
872 |
1.129 |
210 |
1337 |
|
|
8 |
A1 |
590 |
608 |
1.031 |
210 |
1338 |
|
|
9 |
A2 |
909 |
867 |
0.953 |
210 |
1339 |
|
|
10 |
A2 |
693 |
688 |
0.993 |
210 |
1340 |
|
|
11 |
A2 |
570 |
567 |
0.995 |
210 |
1341 |
|
|
12 |
B1 |
877 |
839 |
0.956 |
210 |
1342 |
|
|
13 |
B1 |
718 |
712 |
0.992 |
210 |
1343 |
|
|
14 |
B1 |
432 |
452 |
1.045 |
210 |
1344 |
|
|
15 |
B2 |
3228 |
3125 |
0.968 |
210 |
1345 |
|
|
16 |
B2 |
3161 |
3086 |
0.976 |
210 |
1346 |
|
|
17 |
B2 |
1529 |
1504 |
0.984 |
210 |
1347 |
|
|
18 |
B2 |
1258 |
1256 |
0.999 |
210 |
1348 |
|
|
19 |
B2 |
1102 |
1085 |
0.984 |
210 |
1349 |
|
|
20 |
B2 |
855 |
903 |
1.056 |
210 |
1350 |
|
|
21 |
B2 |
671 |
751 |
1.120 |
210 |
1351 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3173 |
3087 |
0.973 |
211 |
1352 |
|
|
2 |
Ag |
3086 |
3003 |
0.973 |
211 |
1353 |
|
|
3 |
Ag |
3071 |
2992 |
0.974 |
211 |
1354 |
|
|
4 |
Ag |
1652 |
1630 |
0.987 |
211 |
1355 |
|
|
5 |
Ag |
1476 |
1438 |
0.974 |
211 |
1356 |
|
|
6 |
Ag |
1311 |
1280 |
0.976 |
211 |
1357 |
|
|
7 |
Ag |
1220 |
1196 |
0.980 |
211 |
1358 |
|
|
8 |
Ag |
887 |
894 |
1.008 |
211 |
1359 |
|
|
9 |
Ag |
522 |
512 |
0.981 |
211 |
1360 |
|
|
10 |
Au |
1032 |
1013 |
0.981 |
211 |
1361 |
|
|
11 |
Au |
906 |
908 |
1.002 |
211 |
1362 |
|
|
12 |
Au |
521 |
522 |
1.002 |
211 |
1363 |
|
|
13 |
Au |
175 |
162 |
0.924 |
211 |
1364 |
|
|
14 |
Bg |
972 |
976 |
1.004 |
211 |
1365 |
|
|
15 |
Bg |
909 |
912 |
1.003 |
211 |
1366 |
|
|
16 |
Bg |
761 |
770 |
1.012 |
211 |
1367 |
|
|
17 |
Bu |
3174 |
3101 |
0.977 |
211 |
1368 |
|
|
18 |
Bu |
3087 |
3055 |
0.990 |
211 |
1369 |
|
|
19 |
Bu |
3083 |
2984 |
0.968 |
211 |
1370 |
|
|
20 |
Bu |
1617 |
1596 |
0.987 |
211 |
1371 |
|
|
21 |
Bu |
1422 |
1381 |
0.971 |
211 |
1372 |
|
|
22 |
Bu |
1323 |
1294 |
0.978 |
211 |
1373 |
|
|
23 |
Bu |
1013 |
990 |
0.978 |
211 |
1374 |
|
|
24 |
Bu |
295 |
301 |
1.022 |
211 |
1375 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3082 |
3061 |
0.993 |
212 |
1376 |
|
|
2 |
A' |
3058 |
3010 |
0.984 |
212 |
1377 |
|
|
3 |
A' |
3056 |
2965 |
0.970 |
212 |
1378 |
|
|
4 |
A' |
2973 |
2905 |
0.977 |
212 |
1379 |
|
|
5 |
A' |
2026 |
1970 |
0.972 |
212 |
1380 |
|
|
6 |
A' |
1516 |
1453 |
0.959 |
212 |
1381 |
|
|
7 |
A' |
1473 |
1437 |
0.976 |
212 |
1382 |
|
|
8 |
A' |
1405 |
1389 |
0.988 |
212 |
1383 |
|
|
9 |
A' |
1352 |
1330 |
0.983 |
212 |
1384 |
|
|
10 |
A' |
1140 |
1132 |
0.993 |
212 |
1385 |
|
|
11 |
A' |
1083 |
1074 |
0.992 |
212 |
1386 |
|
|
12 |
A' |
864 |
876 |
1.014 |
212 |
1387 |
|
|
13 |
A' |
856 |
859 |
1.003 |
212 |
1388 |
|
|
14 |
A' |
558 |
555 |
0.995 |
212 |
1389 |
|
|
15 |
A' |
200 |
210 |
1.049 |
212 |
1390 |
|
|
16 |
A" |
3125 |
3061 |
0.980 |
212 |
1391 |
|
|
17 |
A" |
3026 |
2965 |
0.980 |
212 |
1392 |
|
|
18 |
A" |
1505 |
1453 |
0.965 |
212 |
1393 |
|
|
19 |
A" |
1059 |
1110 |
1.048 |
212 |
1394 |
|
|
20 |
A" |
1027 |
1011 |
0.984 |
212 |
1395 |
|
|
21 |
A" |
880 |
842 |
0.956 |
212 |
1396 |
|
|
22 |
A" |
524 |
523 |
0.997 |
212 |
1397 |
|
|
23 |
A" |
319 |
322 |
1.010 |
212 |
1398 |
C4H6 |
Cyclobutene |
1 |
A1 |
3179 |
3060 |
0.963 |
213 |
1399 |
|
|
2 |
A1 |
3013 |
2935 |
0.974 |
213 |
1400 |
|
|
3 |
A1 |
1568 |
1570 |
1.001 |
213 |
1401 |
|
|
4 |
A1 |
1473 |
1450 |
0.984 |
213 |
1402 |
|
|
5 |
A1 |
1172 |
1276 |
1.089 |
213 |
1403 |
|
|
6 |
A1 |
1098 |
1186 |
1.080 |
213 |
1404 |
|
|
7 |
A1 |
966 |
1113 |
1.153 |
213 |
1405 |
|
|
8 |
A1 |
842 |
886 |
1.052 |
213 |
1406 |
|
|
9 |
A2 |
3058 |
2955 |
0.966 |
213 |
1407 |
|
|
10 |
A2 |
1152 |
1276 |
1.107 |
213 |
1408 |
|
|
11 |
A2 |
1002 |
1081 |
1.079 |
213 |
1409 |
|
|
12 |
A2 |
919 |
850 |
0.925 |
213 |
1410 |
|
|
13 |
A2 |
309 |
325 |
1.053 |
213 |
1411 |
|
|
14 |
B1 |
3074 |
2955 |
0.961 |
213 |
1412 |
|
|
15 |
B1 |
1094 |
1074 |
0.981 |
213 |
1413 |
|
|
16 |
B1 |
853 |
846 |
0.992 |
213 |
1414 |
|
|
17 |
B1 |
640 |
635 |
0.992 |
213 |
1415 |
|
|
18 |
B2 |
3141 |
3047 |
0.970 |
213 |
1416 |
|
|
19 |
B2 |
3006 |
2916 |
0.970 |
213 |
1417 |
|
|
20 |
B2 |
1459 |
1427 |
0.978 |
213 |
1418 |
|
|
21 |
B2 |
1272 |
1294 |
1.017 |
213 |
1419 |
|
|
22 |
B2 |
1209 |
1214 |
1.004 |
213 |
1420 |
|
|
23 |
B2 |
871 |
888 |
1.019 |
213 |
1421 |
|
|
24 |
B2 |
851 |
740 |
0.869 |
213 |
1422 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3075 |
3010 |
0.979 |
214 |
1423 |
|
|
2 |
A1 |
3073 |
3002 |
0.977 |
214 |
1424 |
|
|
3 |
A1 |
1798 |
1743 |
0.970 |
214 |
1425 |
|
|
4 |
A1 |
1479 |
1437 |
0.972 |
214 |
1426 |
|
|
5 |
A1 |
1450 |
1410 |
0.972 |
214 |
1427 |
|
|
6 |
A1 |
1026 |
1036 |
1.010 |
214 |
1428 |
|
|
7 |
A1 |
1004 |
1002 |
0.998 |
214 |
1429 |
|
|
8 |
A1 |
704 |
723 |
1.028 |
214 |
1430 |
|
|
9 |
A2 |
3148 |
3051 |
0.969 |
214 |
1431 |
|
|
10 |
A2 |
1142 |
1144 |
1.002 |
214 |
1432 |
|
|
11 |
A2 |
952 |
937 |
0.984 |
214 |
1433 |
|
|
12 |
A2 |
618 |
616 |
0.996 |
214 |
1434 |
|
|
13 |
B1 |
3164 |
3071 |
0.971 |
214 |
1435 |
|
|
14 |
B1 |
1092 |
1072 |
0.982 |
214 |
1436 |
|
|
15 |
B1 |
906 |
889 |
0.981 |
214 |
1437 |
|
|
16 |
B1 |
751 |
748 |
0.997 |
214 |
1438 |
|
|
17 |
B1 |
309 |
360 |
1.163 |
214 |
1439 |
|
|
18 |
B2 |
3152 |
3086 |
0.979 |
214 |
1440 |
|
|
19 |
B2 |
3071 |
2999 |
0.977 |
214 |
1441 |
|
|
20 |
B2 |
1445 |
1353 |
0.936 |
214 |
1442 |
|
|
21 |
B2 |
1139 |
1174 |
1.031 |
214 |
1443 |
|
|
22 |
B2 |
1058 |
1125 |
1.063 |
214 |
1444 |
|
|
23 |
B2 |
876 |
792 |
0.904 |
214 |
1445 |
|
|
24 |
B2 |
357 |
290 |
0.812 |
214 |
1446 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3272 |
3345 |
1.022 |
215 |
1447 |
|
|
2 |
A' |
3042 |
2985 |
0.981 |
215 |
1448 |
|
|
3 |
A' |
2982 |
2840 |
0.952 |
215 |
1449 |
|
|
4 |
A' |
2966 |
2860 |
0.964 |
215 |
1450 |
|
|
5 |
A' |
1678 |
1622 |
0.967 |
215 |
1451 |
|
|
6 |
A' |
1517 |
1487 |
0.980 |
215 |
1452 |
|
|
7 |
A' |
1494 |
1465 |
0.981 |
215 |
1453 |
|
|
8 |
A' |
1402 |
1378 |
0.983 |
215 |
1454 |
|
|
9 |
A' |
1353 |
1397 |
1.033 |
215 |
1455 |
|
|
10 |
A' |
1132 |
1016 |
0.897 |
215 |
1456 |
|
|
11 |
A' |
1012 |
1086 |
1.073 |
215 |
1457 |
|
|
12 |
A' |
871 |
892 |
1.025 |
215 |
1458 |
|
|
13 |
A' |
716 |
773 |
1.079 |
215 |
1459 |
|
|
14 |
A' |
380 |
403 |
1.062 |
215 |
1460 |
|
|
15 |
A" |
3371 |
3412 |
1.012 |
215 |
1461 |
|
|
16 |
A" |
3051 |
2924 |
0.958 |
215 |
1462 |
|
|
17 |
A" |
3016 |
2906 |
0.963 |
215 |
1463 |
|
|
18 |
A" |
1518 |
1455 |
0.958 |
215 |
1464 |
|
|
19 |
A" |
1376 |
1238 |
0.900 |
215 |
1465 |
|
|
20 |
A" |
1267 |
1293 |
1.020 |
215 |
1466 |
|
|
21 |
A" |
1003 |
1117 |
1.114 |
215 |
1467 |
|
|
22 |
A" |
770 |
816 |
1.060 |
215 |
1468 |
|
|
23 |
A" |
314 |
259 |
0.824 |
215 |
1469 |
|
|
24 |
A" |
257 |
218 |
0.848 |
215 |
1470 |
C4H5N |
Pyrrole |
1 |
A1 |
3526 |
3531 |
1.001 |
216 |
1471 |
|
|
2 |
A1 |
3237 |
3149 |
0.973 |
216 |
1472 |
|
|
3 |
A1 |
3211 |
3128 |
0.974 |
216 |
1473 |
|
|
4 |
A1 |
1441 |
1472 |
1.021 |
216 |
1474 |
|
|
5 |
A1 |
1370 |
1401 |
1.023 |
216 |
1475 |
|
|
6 |
A1 |
1137 |
1148 |
1.010 |
216 |
1476 |
|
|
7 |
A1 |
1085 |
1075 |
0.990 |
216 |
1477 |
|
|
8 |
A1 |
1012 |
1017 |
1.005 |
216 |
1478 |
|
|
9 |
A1 |
901 |
882 |
0.979 |
216 |
1479 |
|
|
10 |
A2 |
862 |
864 |
1.002 |
216 |
1480 |
|
|
11 |
A2 |
674 |
692 |
1.028 |
216 |
1481 |
|
|
12 |
A2 |
622 |
614 |
0.987 |
216 |
1482 |
|
|
13 |
B1 |
818 |
827 |
1.011 |
216 |
1483 |
|
|
14 |
B1 |
713 |
722 |
1.013 |
216 |
1484 |
|
|
15 |
B1 |
631 |
621 |
0.984 |
216 |
1485 |
|
|
16 |
B1 |
558 |
475 |
0.850 |
216 |
1486 |
|
|
17 |
B2 |
3226 |
3143 |
0.974 |
216 |
1487 |
|
|
18 |
B2 |
3201 |
3119 |
0.974 |
216 |
1488 |
|
|
19 |
B2 |
1526 |
1519 |
0.995 |
216 |
1489 |
|
|
20 |
B2 |
1396 |
1424 |
1.020 |
216 |
1490 |
|
|
21 |
B2 |
1287 |
1288 |
1.001 |
216 |
1491 |
|
|
22 |
B2 |
1148 |
1134 |
0.988 |
216 |
1492 |
|
|
23 |
B2 |
1043 |
1049 |
1.006 |
216 |
1493 |
|
|
24 |
B2 |
883 |
866 |
0.980 |
216 |
1494 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3213 |
3120 |
0.971 |
217 |
1495 |
|
|
2 |
A' |
3131 |
3052 |
0.975 |
217 |
1496 |
|
|
3 |
A' |
3111 |
3044 |
0.978 |
217 |
1497 |
|
|
4 |
A' |
2254 |
2264 |
1.004 |
217 |
1498 |
|
|
5 |
A' |
1477 |
1468 |
0.994 |
217 |
1499 |
|
|
6 |
A' |
1345 |
1344 |
0.999 |
217 |
1500 |
|
|
7 |
A' |
1158 |
1195 |
1.032 |
217 |
1501 |
|
|
8 |
A' |
1129 |
1125 |
0.996 |
217 |
1502 |
|
|
9 |
A' |
1047 |
1049 |
1.002 |
217 |
1503 |
|
|
10 |
A' |
929 |
941 |
1.013 |
217 |
1504 |
|
|
11 |
A' |
798 |
808 |
1.012 |
217 |
1505 |
|
|
12 |
A' |
747 |
736 |
0.985 |
217 |
1506 |
|
|
13 |
A' |
548 |
527 |
0.961 |
217 |
1507 |
|
|
14 |
A' |
231 |
222 |
0.961 |
217 |
1508 |
|
|
15 |
A" |
3196 |
3094 |
0.968 |
217 |
1509 |
|
|
16 |
A" |
3108 |
3040 |
0.978 |
217 |
1510 |
|
|
17 |
A" |
1464 |
1442 |
0.985 |
217 |
1511 |
|
|
18 |
A" |
1178 |
1180 |
1.002 |
217 |
1512 |
|
|
19 |
A" |
1089 |
1070 |
0.982 |
217 |
1513 |
|
|
20 |
A" |
1071 |
1088 |
1.016 |
217 |
1514 |
|
|
21 |
A" |
870 |
880 |
1.012 |
217 |
1515 |
|
|
22 |
A" |
798 |
821 |
1.029 |
217 |
1516 |
|
|
23 |
A" |
589 |
543 |
0.922 |
217 |
1517 |
|
|
24 |
A" |
230 |
222 |
0.966 |
217 |
1518 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3158 |
3063 |
0.970 |
218 |
1519 |
|
|
2 |
A1 |
3121 |
3043 |
0.975 |
218 |
1520 |
|
|
3 |
A1 |
1548 |
1572 |
1.016 |
218 |
1521 |
|
|
4 |
A1 |
1400 |
1414 |
1.010 |
218 |
1522 |
|
|
5 |
A1 |
1187 |
1283 |
1.081 |
218 |
1523 |
|
|
6 |
A1 |
1111 |
1160 |
1.045 |
218 |
1524 |
|
|
7 |
A1 |
1023 |
1063 |
1.039 |
218 |
1525 |
|
|
8 |
A1 |
834 |
964 |
1.156 |
218 |
1526 |
|
|
9 |
A1 |
668 |
619 |
0.926 |
218 |
1527 |
|
|
10 |
A2 |
1018 |
936 |
0.920 |
218 |
1528 |
|
|
11 |
A2 |
933 |
863 |
0.925 |
218 |
1529 |
|
|
12 |
A2 |
758 |
751 |
0.991 |
218 |
1530 |
|
|
13 |
A2 |
341 |
421 |
1.235 |
218 |
1531 |
|
|
14 |
B1 |
977 |
|
|
218 |
1532 |
|
|
15 |
B1 |
749 |
760 |
1.015 |
218 |
1533 |
|
|
16 |
B1 |
346 |
370 |
1.068 |
218 |
1534 |
|
|
17 |
B2 |
3141 |
3075 |
0.979 |
218 |
1535 |
|
|
18 |
B2 |
3118 |
3043 |
0.976 |
218 |
1536 |
|
|
19 |
B2 |
1510 |
1565 |
1.036 |
218 |
1537 |
|
|
20 |
B2 |
1400 |
1444 |
1.032 |
218 |
1538 |
|
|
21 |
B2 |
1266 |
1239 |
0.979 |
218 |
1539 |
|
|
22 |
B2 |
1054 |
1052 |
0.998 |
218 |
1540 |
|
|
23 |
B2 |
1005 |
1009 |
1.004 |
218 |
1541 |
|
|
24 |
B2 |
617 |
664 |
1.075 |
218 |
1542 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3155 |
3082 |
0.977 |
219 |
1543 |
|
|
2 |
A1 |
3132 |
3053 |
0.975 |
219 |
1544 |
|
|
3 |
A1 |
3110 |
3049 |
0.980 |
219 |
1545 |
|
|
4 |
A1 |
1505 |
1572 |
1.044 |
219 |
1546 |
|
|
5 |
A1 |
1368 |
1465 |
1.071 |
219 |
1547 |
|
|
6 |
A1 |
1134 |
1155 |
1.019 |
219 |
1548 |
|
|
7 |
A1 |
1062 |
1065 |
1.003 |
219 |
1549 |
|
|
8 |
A1 |
942 |
969 |
1.029 |
219 |
1550 |
|
|
9 |
A1 |
682 |
679 |
0.995 |
219 |
1551 |
|
|
10 |
A2 |
977 |
960 |
0.982 |
219 |
1552 |
|
|
11 |
A2 |
396 |
398 |
1.006 |
219 |
1553 |
|
|
12 |
B1 |
1018 |
1033 |
1.015 |
219 |
1554 |
|
|
13 |
B1 |
972 |
980 |
1.008 |
219 |
1555 |
|
|
14 |
B1 |
813 |
804 |
0.989 |
219 |
1556 |
|
|
15 |
B1 |
741 |
719 |
0.971 |
219 |
1557 |
|
|
16 |
B1 |
325 |
347 |
1.066 |
219 |
1558 |
|
|
17 |
B2 |
3113 |
3047 |
0.979 |
219 |
1559 |
|
|
18 |
B2 |
1512 |
1569 |
1.038 |
219 |
1560 |
|
|
19 |
B2 |
1435 |
1411 |
0.984 |
219 |
1561 |
|
|
20 |
B2 |
1373 |
1356 |
0.988 |
219 |
1562 |
|
|
21 |
B2 |
1211 |
1224 |
1.010 |
219 |
1563 |
|
|
22 |
B2 |
1144 |
1158 |
1.012 |
219 |
1564 |
|
|
23 |
B2 |
1045 |
1071 |
1.025 |
219 |
1565 |
|
|
24 |
B2 |
625 |
621 |
0.994 |
219 |
1566 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3134 |
3055 |
0.975 |
220 |
1567 |
|
|
2 |
Ag |
1506 |
1580 |
1.049 |
220 |
1568 |
|
|
3 |
Ag |
1233 |
1233 |
1.000 |
220 |
1569 |
|
|
4 |
Ag |
992 |
1016 |
1.024 |
220 |
1570 |
|
|
5 |
Ag |
606 |
602 |
0.993 |
220 |
1571 |
|
|
6 |
Au |
1001 |
960 |
0.959 |
220 |
1572 |
|
|
7 |
Au |
297 |
350 |
1.179 |
220 |
1573 |
|
|
8 |
B1g |
937 |
927 |
0.989 |
220 |
1574 |
|
|
9 |
B1u |
3108 |
3012 |
0.969 |
220 |
1575 |
|
|
10 |
B1u |
1455 |
1483 |
1.019 |
220 |
1576 |
|
|
11 |
B1u |
1130 |
1130 |
1.000 |
220 |
1577 |
|
|
12 |
B1u |
974 |
1018 |
1.045 |
220 |
1578 |
|
|
13 |
B2g |
1002 |
983 |
0.981 |
220 |
1579 |
|
|
14 |
B2g |
781 |
756 |
0.969 |
220 |
1580 |
|
|
15 |
B2u |
3123 |
3069 |
0.983 |
220 |
1581 |
|
|
16 |
B2u |
1401 |
1411 |
1.007 |
220 |
1582 |
|
|
17 |
B2u |
1169 |
1149 |
0.983 |
220 |
1583 |
|
|
18 |
B2u |
1046 |
1063 |
1.016 |
220 |
1584 |
|
|
19 |
B3g |
3105 |
3040 |
0.979 |
220 |
1585 |
|
|
20 |
B3g |
1455 |
1525 |
1.048 |
220 |
1586 |
|
|
21 |
B3g |
1354 |
1346 |
0.994 |
220 |
1587 |
|
|
22 |
B3g |
707 |
704 |
0.996 |
220 |
1588 |
|
|
23 |
B3u |
796 |
785 |
0.987 |
220 |
1589 |
|
|
24 |
B3u |
423 |
418 |
0.988 |
220 |
1590 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3352 |
3675 |
1.096 |
221 |
1591 |
|
|
2 |
A |
3167 |
3102 |
0.980 |
221 |
1592 |
|
|
3 |
A |
3105 |
3022 |
0.973 |
221 |
1593 |
|
|
4 |
A |
3080 |
2995 |
0.972 |
221 |
1594 |
|
|
5 |
A |
2913 |
2934 |
1.007 |
221 |
1595 |
|
|
6 |
A |
2871 |
2866 |
0.998 |
221 |
1596 |
|
|
7 |
A |
1671 |
1654 |
0.990 |
221 |
1597 |
|
|
8 |
A |
1520 |
1453 |
0.956 |
221 |
1598 |
|
|
9 |
A |
1463 |
1414 |
0.967 |
221 |
1599 |
|
|
10 |
A |
1412 |
1384 |
0.980 |
221 |
1600 |
|
|
11 |
A |
1301 |
1320 |
1.015 |
221 |
1601 |
|
|
12 |
A |
1254 |
1293 |
1.031 |
221 |
1602 |
|
|
13 |
A |
1205 |
1191 |
0.989 |
221 |
1603 |
|
|
14 |
A |
1127 |
1132 |
1.004 |
221 |
1604 |
|
|
15 |
A |
1010 |
1110 |
1.099 |
221 |
1605 |
|
|
16 |
A |
991 |
1038 |
1.047 |
221 |
1606 |
|
|
17 |
A |
954 |
995 |
1.043 |
221 |
1607 |
|
|
18 |
A |
924 |
919 |
0.995 |
221 |
1608 |
|
|
19 |
A |
894 |
885 |
0.990 |
221 |
1609 |
|
|
20 |
A |
619 |
606 |
0.979 |
221 |
1610 |
|
|
22 |
A |
301 |
377 |
1.254 |
221 |
1611 |
|
|
23 |
A |
281 |
277 |
0.984 |
221 |
1612 |
|
|
24 |
A |
104 |
188 |
1.805 |
221 |
1613 |
CH3CH2CHO |
Propanal |
1 |
A' |
3080 |
2981 |
0.968 |
222 |
1614 |
|
|
2 |
A' |
3003 |
2904 |
0.967 |
222 |
1615 |
|
|
3 |
A' |
2959 |
2895 |
0.978 |
222 |
1616 |
|
|
4 |
A' |
2792 |
2809 |
1.006 |
222 |
1617 |
|
|
5 |
A' |
1685 |
1743 |
1.035 |
222 |
1618 |
|
|
6 |
A' |
1517 |
1460 |
0.962 |
222 |
1619 |
|
|
7 |
A' |
1452 |
1416 |
0.975 |
222 |
1620 |
|
|
8 |
A' |
1419 |
1390 |
0.979 |
222 |
1621 |
|
|
9 |
A' |
1393 |
1376 |
0.988 |
222 |
1622 |
|
|
10 |
A' |
1314 |
1335 |
1.016 |
222 |
1623 |
|
|
11 |
A' |
1090 |
1093 |
1.003 |
222 |
1624 |
|
|
12 |
A' |
999 |
993 |
0.994 |
222 |
1625 |
|
|
13 |
A' |
836 |
848 |
1.014 |
222 |
1626 |
|
|
14 |
A' |
666 |
668 |
1.003 |
222 |
1627 |
|
|
15 |
A' |
260 |
271 |
1.042 |
222 |
1628 |
|
|
16 |
A" |
3076 |
2992 |
0.973 |
222 |
1629 |
|
|
17 |
A" |
2987 |
2942 |
0.985 |
222 |
1630 |
|
|
18 |
A" |
1517 |
1451 |
0.957 |
222 |
1631 |
|
|
19 |
A" |
1275 |
1250 |
0.981 |
222 |
1632 |
|
|
20 |
A" |
1130 |
1118 |
0.990 |
222 |
1633 |
|
|
21 |
A" |
905 |
892 |
0.985 |
222 |
1634 |
|
|
22 |
A" |
674 |
660 |
0.980 |
222 |
1635 |
|
|
23 |
A" |
235 |
220 |
0.936 |
222 |
1636 |
|
|
24 |
A" |
108 |
135 |
1.254 |
222 |
1637 |
C3H6O |
Oxetane |
1 |
A1 |
3039 |
2959 |
0.974 |
223 |
1638 |
|
|
2 |
A1 |
2987 |
2930 |
0.981 |
223 |
1639 |
|
|
3 |
A1 |
1549 |
1473 |
0.951 |
223 |
1640 |
|
|
4 |
A1 |
1484 |
1461 |
0.985 |
223 |
1641 |
|
|
5 |
A1 |
1321 |
1342 |
1.016 |
223 |
1642 |
|
|
6 |
A1 |
990 |
1134 |
1.146 |
223 |
1643 |
|
|
7 |
A1 |
841 |
1018 |
1.211 |
223 |
1644 |
|
|
8 |
A1 |
773 |
908 |
1.174 |
223 |
1645 |
|
|
9 |
A2 |
3027 |
3000 |
0.991 |
223 |
1646 |
|
|
10 |
A2 |
1236 |
1283 |
1.038 |
223 |
1647 |
|
|
11 |
A2 |
1096 |
1185 |
1.081 |
223 |
1648 |
|
|
12 |
A2 |
856 |
986 |
1.152 |
223 |
1649 |
|
|
13 |
B1 |
3101 |
3007 |
0.970 |
223 |
1650 |
|
|
14 |
B1 |
3027 |
2940 |
0.971 |
223 |
1651 |
|
|
15 |
B1 |
1169 |
1225 |
1.048 |
223 |
1652 |
|
|
16 |
B1 |
1050 |
1142 |
1.087 |
223 |
1653 |
|
|
17 |
B1 |
745 |
836 |
1.122 |
223 |
1654 |
|
|
18 |
B1 |
76 |
90 |
1.174 |
223 |
1655 |
|
|
19 |
B2 |
2975 |
2966 |
0.997 |
223 |
1656 |
|
|
20 |
B2 |
1517 |
1508 |
0.994 |
223 |
1657 |
|
|
21 |
B2 |
1260 |
1458 |
1.157 |
223 |
1658 |
|
|
22 |
B2 |
1236 |
1363 |
1.103 |
223 |
1659 |
|
|
23 |
B2 |
956 |
1228 |
1.285 |
223 |
1660 |
|
|
24 |
B2 |
900 |
936 |
1.040 |
223 |
1661 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3085 |
3018 |
0.978 |
224 |
1662 |
|
|
2 |
A |
3038 |
2985 |
0.983 |
224 |
1663 |
|
|
3 |
A |
2990 |
2958 |
0.989 |
224 |
1664 |
|
|
4 |
A |
2931 |
2945 |
1.005 |
224 |
1665 |
|
|
5 |
A |
2918 |
2922 |
1.002 |
224 |
1666 |
|
|
6 |
A |
2248 |
2245 |
0.999 |
224 |
1667 |
|
|
7 |
A |
1528 |
1472 |
0.963 |
224 |
1668 |
|
|
8 |
A |
1497 |
1452 |
0.970 |
224 |
1669 |
|
|
9 |
A |
1474 |
1439 |
0.976 |
224 |
1670 |
|
|
10 |
A |
1453 |
1431 |
0.985 |
224 |
1671 |
|
|
11 |
A |
1343 |
1368 |
1.018 |
224 |
1672 |
|
|
12 |
A |
1278 |
1287 |
1.007 |
224 |
1673 |
|
|
13 |
A |
1156 |
1199 |
1.037 |
224 |
1674 |
|
|
14 |
A |
1125 |
1161 |
1.032 |
224 |
1675 |
|
|
15 |
A |
1047 |
1127 |
1.076 |
224 |
1676 |
|
|
16 |
A |
998 |
1016 |
1.018 |
224 |
1677 |
|
|
17 |
A |
889 |
925 |
1.041 |
224 |
1678 |
|
|
18 |
A |
858 |
890 |
1.038 |
224 |
1679 |
|
|
19 |
A |
606 |
586 |
0.967 |
224 |
1680 |
|
|
20 |
A |
433 |
404 |
0.933 |
224 |
1681 |
|
|
21 |
A |
377 |
347 |
0.921 |
224 |
1682 |
|
|
22 |
A |
261 |
243 |
0.932 |
224 |
1683 |
|
|
23 |
A |
189 |
170 |
0.902 |
224 |
1684 |
|
|
24 |
A |
124 |
113 |
0.910 |
224 |
1685 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3131 |
2990 |
0.955 |
225 |
1686 |
|
|
2 |
A |
3105 |
2983 |
0.961 |
225 |
1687 |
|
|
3 |
A |
3010 |
2913 |
0.968 |
225 |
1688 |
|
|
4 |
A |
1484 |
1426 |
0.961 |
225 |
1689 |
|
|
5 |
A |
1477 |
1419 |
0.960 |
225 |
1690 |
|
|
6 |
A |
1343 |
1311 |
0.976 |
225 |
1691 |
|
|
7 |
A |
962 |
955 |
0.993 |
225 |
1692 |
|
|
8 |
A |
958 |
949 |
0.990 |
225 |
1693 |
|
|
9 |
A |
622 |
694 |
1.115 |
225 |
1694 |
|
|
10 |
A |
416 |
509 |
1.223 |
225 |
1695 |
|
|
11 |
A |
188 |
240 |
1.276 |
225 |
1696 |
|
|
12 |
A |
114 |
134 |
1.176 |
225 |
1697 |
|
|
13 |
A |
73 |
117 |
1.605 |
225 |
1698 |
|
|
14 |
B |
3131 |
2990 |
0.955 |
225 |
1699 |
|
|
15 |
B |
3105 |
2983 |
0.961 |
225 |
1700 |
|
|
16 |
B |
3009 |
2915 |
0.969 |
225 |
1701 |
|
|
17 |
B |
1489 |
1430 |
0.961 |
225 |
1702 |
|
|
18 |
B |
1472 |
1415 |
0.961 |
225 |
1703 |
|
|
19 |
B |
1334 |
1303 |
0.977 |
225 |
1704 |
|
|
20 |
B |
968 |
955 |
0.987 |
225 |
1705 |
|
|
21 |
B |
954 |
949 |
0.994 |
225 |
1706 |
|
|
22 |
B |
622 |
691 |
1.110 |
225 |
1707 |
|
|
23 |
B |
220 |
274 |
1.244 |
225 |
1708 |
|
|
24 |
B |
137 |
134 |
0.980 |
225 |
1709 |
C3H8 |
Propane |
1 |
A1 |
3052 |
2977 |
0.975 |
226 |
1710 |
|
|
2 |
A1 |
2977 |
2962 |
0.995 |
226 |
1711 |
|
|
3 |
A1 |
2975 |
2887 |
0.971 |
226 |
1712 |
|
|
4 |
A1 |
1530 |
1476 |
0.965 |
226 |
1713 |
|
|
5 |
A1 |
1505 |
1462 |
0.971 |
226 |
1714 |
|
|
6 |
A1 |
1419 |
1392 |
0.981 |
226 |
1715 |
|
|
7 |
A1 |
1169 |
1158 |
0.990 |
226 |
1716 |
|
|
8 |
A1 |
858 |
869 |
1.013 |
226 |
1717 |
|
|
9 |
A1 |
367 |
369 |
1.005 |
226 |
1718 |
|
|
10 |
A2 |
3041 |
2967 |
0.976 |
226 |
1719 |
|
|
11 |
A2 |
1510 |
1451 |
0.961 |
226 |
1720 |
|
|
12 |
A2 |
1318 |
1278 |
0.970 |
226 |
1721 |
|
|
13 |
A2 |
924 |
940 |
1.017 |
226 |
1722 |
|
|
14 |
A2 |
226 |
216 |
0.955 |
226 |
1723 |
|
|
15 |
B1 |
3055 |
2973 |
0.973 |
226 |
1724 |
|
|
16 |
B1 |
3005 |
2968 |
0.988 |
226 |
1725 |
|
|
17 |
B1 |
1529 |
1472 |
0.963 |
226 |
1726 |
|
|
18 |
B1 |
1206 |
1192 |
0.988 |
226 |
1727 |
|
|
19 |
B1 |
752 |
748 |
0.995 |
226 |
1728 |
|
|
20 |
B1 |
271 |
268 |
0.989 |
226 |
1729 |
|
|
21 |
B2 |
3048 |
2968 |
0.974 |
226 |
1730 |
|
|
22 |
B2 |
2973 |
2887 |
0.971 |
226 |
1731 |
|
|
23 |
B2 |
1516 |
1464 |
0.966 |
226 |
1732 |
|
|
24 |
B2 |
1401 |
1378 |
0.983 |
226 |
1733 |
|
|
25 |
B2 |
1346 |
1338 |
0.994 |
226 |
1734 |
|
|
26 |
B2 |
1038 |
1054 |
1.016 |
226 |
1735 |
|
|
27 |
B2 |
933 |
922 |
0.988 |
226 |
1736 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3194 |
3091 |
0.968 |
227 |
1737 |
|
|
2 |
A1 |
3164 |
3075 |
0.972 |
227 |
1738 |
|
|
3 |
A1 |
2978 |
2886 |
0.969 |
227 |
1739 |
|
|
4 |
A1 |
1498 |
1500 |
1.001 |
227 |
1740 |
|
|
5 |
A1 |
1411 |
1378 |
0.976 |
227 |
1741 |
|
|
6 |
A1 |
1359 |
1365 |
1.004 |
227 |
1742 |
|
|
7 |
A1 |
1123 |
1106 |
0.985 |
227 |
1743 |
|
|
8 |
A1 |
985 |
994 |
1.009 |
227 |
1744 |
|
|
9 |
A1 |
893 |
915 |
1.025 |
227 |
1745 |
|
|
10 |
A1 |
819 |
802 |
0.979 |
227 |
1746 |
|
|
11 |
A2 |
1133 |
1100 |
0.970 |
227 |
1747 |
|
|
12 |
A2 |
928 |
941 |
1.014 |
227 |
1748 |
|
|
13 |
A2 |
695 |
700 |
1.007 |
227 |
1749 |
|
|
14 |
A2 |
517 |
516 |
0.998 |
227 |
1750 |
|
|
15 |
B1 |
3013 |
2900 |
0.963 |
227 |
1751 |
|
|
16 |
B1 |
923 |
925 |
1.002 |
227 |
1752 |
|
|
17 |
B1 |
888 |
891 |
1.003 |
227 |
1753 |
|
|
18 |
B1 |
665 |
664 |
0.998 |
227 |
1754 |
|
|
19 |
B1 |
338 |
350 |
1.035 |
227 |
1755 |
|
|
20 |
B2 |
3182 |
3105 |
0.976 |
227 |
1756 |
|
|
21 |
B2 |
3154 |
3043 |
0.965 |
227 |
1757 |
|
|
22 |
B2 |
1582 |
1580 |
0.999 |
227 |
1758 |
|
|
23 |
B2 |
1296 |
1292 |
0.997 |
227 |
1759 |
|
|
24 |
B2 |
1218 |
1239 |
1.017 |
227 |
1760 |
|
|
25 |
B2 |
1106 |
1090 |
0.985 |
227 |
1761 |
|
|
26 |
B2 |
956 |
959 |
1.003 |
227 |
1762 |
|
|
27 |
B2 |
817 |
805 |
0.985 |
227 |
1763 |
C5H5N |
Pyridine |
1 |
A1 |
3154 |
3094 |
0.981 |
228 |
1764 |
|
|
2 |
A1 |
3128 |
3073 |
0.982 |
228 |
1765 |
|
|
3 |
A1 |
3108 |
3030 |
0.975 |
228 |
1766 |
|
|
4 |
A1 |
1552 |
1584 |
1.021 |
228 |
1767 |
|
|
5 |
A1 |
1469 |
1483 |
1.010 |
228 |
1768 |
|
|
6 |
A1 |
1227 |
1218 |
0.993 |
228 |
1769 |
|
|
7 |
A1 |
1083 |
1072 |
0.990 |
228 |
1770 |
|
|
8 |
A1 |
1035 |
1032 |
0.997 |
228 |
1771 |
|
|
9 |
A1 |
963 |
991 |
1.030 |
228 |
1772 |
|
|
10 |
A1 |
615 |
601 |
0.978 |
228 |
1773 |
|
|
11 |
A2 |
994 |
980 |
0.986 |
228 |
1774 |
|
|
12 |
A2 |
889 |
880 |
0.990 |
228 |
1775 |
|
|
13 |
A2 |
365 |
373 |
1.022 |
228 |
1776 |
|
|
14 |
B1 |
1014 |
1007 |
0.993 |
228 |
1777 |
|
|
15 |
B1 |
945 |
937 |
0.991 |
228 |
1778 |
|
|
16 |
B1 |
764 |
744 |
0.974 |
228 |
1779 |
|
|
17 |
B1 |
711 |
700 |
0.985 |
228 |
1780 |
|
|
18 |
B1 |
413 |
403 |
0.976 |
228 |
1781 |
|
|
19 |
B2 |
3143 |
3087 |
0.982 |
228 |
1782 |
|
|
20 |
B2 |
3103 |
3042 |
0.980 |
228 |
1783 |
|
|
21 |
B2 |
1549 |
1581 |
1.020 |
228 |
1784 |
|
|
22 |
B2 |
1438 |
1442 |
1.003 |
228 |
1785 |
|
|
23 |
B2 |
1377 |
1362 |
0.990 |
228 |
1786 |
|
|
24 |
B2 |
1239 |
1227 |
0.990 |
228 |
1787 |
|
|
25 |
B2 |
1186 |
1143 |
0.964 |
228 |
1788 |
|
|
26 |
B2 |
1051 |
1079 |
1.027 |
228 |
1789 |
|
|
27 |
B2 |
668 |
652 |
0.976 |
228 |
1790 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3121 |
3058 |
0.980 |
229 |
1791 |
|
|
2 |
A' |
3075 |
2995 |
0.974 |
229 |
1792 |
|
|
3 |
A' |
3047 |
2963 |
0.972 |
229 |
1793 |
|
|
4 |
A' |
2968 |
2938 |
0.990 |
229 |
1794 |
|
|
5 |
A' |
2756 |
2805 |
1.018 |
229 |
1795 |
|
|
6 |
A' |
1656 |
1720 |
1.039 |
229 |
1796 |
|
|
7 |
A' |
1652 |
1649 |
0.998 |
229 |
1797 |
|
|
8 |
A' |
1498 |
1455 |
0.971 |
229 |
1798 |
|
|
9 |
A' |
1411 |
1391 |
0.986 |
229 |
1799 |
|
|
10 |
A' |
1398 |
1375 |
0.984 |
229 |
1800 |
|
|
11 |
A' |
1318 |
1304 |
0.989 |
229 |
1801 |
|
|
12 |
A' |
1267 |
1253 |
0.989 |
229 |
1802 |
|
|
13 |
A' |
1132 |
1147 |
1.013 |
229 |
1803 |
|
|
14 |
A' |
1062 |
1074 |
1.011 |
229 |
1804 |
|
|
15 |
A' |
942 |
973 |
1.033 |
229 |
1805 |
|
|
16 |
A' |
521 |
539 |
1.034 |
229 |
1806 |
|
|
17 |
A' |
456 |
464 |
1.018 |
229 |
1807 |
|
|
18 |
A' |
203 |
230 |
1.132 |
229 |
1808 |
|
|
19 |
A" |
3016 |
2980 |
0.988 |
229 |
1809 |
|
|
20 |
A" |
1496 |
1455 |
0.972 |
229 |
1810 |
|
|
21 |
A" |
1063 |
1042 |
0.980 |
229 |
1811 |
|
|
22 |
A" |
1023 |
973 |
0.951 |
229 |
1812 |
|
|
23 |
A" |
987 |
928 |
0.940 |
229 |
1813 |
|
|
24 |
A" |
789 |
780 |
0.988 |
229 |
1814 |
|
|
25 |
A" |
299 |
295 |
0.987 |
229 |
1815 |
|
|
26 |
A" |
195 |
173 |
0.889 |
229 |
1816 |
|
|
27 |
A" |
133 |
122 |
0.917 |
229 |
1817 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3095 |
3005 |
0.971 |
230 |
1818 |
|
|
2 |
A' |
3069 |
2955 |
0.963 |
230 |
1819 |
|
|
3 |
A' |
3053 |
2927 |
0.959 |
230 |
1820 |
|
|
4 |
A' |
2985 |
2878 |
0.964 |
230 |
1821 |
|
|
5 |
A' |
1523 |
1472 |
0.967 |
230 |
1822 |
|
|
6 |
A' |
1508 |
1454 |
0.964 |
230 |
1823 |
|
|
7 |
A' |
1420 |
1390 |
0.979 |
230 |
1824 |
|
|
8 |
A' |
1245 |
1270 |
1.020 |
230 |
1825 |
|
|
9 |
A' |
1178 |
1163 |
0.987 |
230 |
1826 |
|
|
10 |
A' |
1059 |
1065 |
1.005 |
230 |
1827 |
|
|
11 |
A' |
873 |
888 |
1.017 |
230 |
1828 |
|
|
12 |
A' |
568 |
633 |
1.114 |
230 |
1829 |
|
|
13 |
A' |
407 |
418 |
1.027 |
230 |
1830 |
|
|
14 |
A' |
325 |
336 |
1.034 |
230 |
1831 |
|
|
15 |
A' |
269 |
253 |
0.939 |
230 |
1832 |
|
|
16 |
A" |
3086 |
2997 |
0.971 |
230 |
1833 |
|
|
17 |
A" |
3056 |
2985 |
0.977 |
230 |
1834 |
|
|
18 |
A" |
2980 |
2947 |
0.989 |
230 |
1835 |
|
|
19 |
A" |
1500 |
1472 |
0.981 |
230 |
1836 |
|
|
20 |
A" |
1493 |
1454 |
0.974 |
230 |
1837 |
|
|
21 |
A" |
1405 |
1377 |
0.980 |
230 |
1838 |
|
|
22 |
A" |
1347 |
1334 |
0.990 |
230 |
1839 |
|
|
23 |
A" |
1131 |
1123 |
0.993 |
230 |
1840 |
|
|
24 |
A" |
960 |
972 |
1.013 |
230 |
1841 |
|
|
25 |
A" |
945 |
936 |
0.991 |
230 |
1842 |
|
|
26 |
A" |
306 |
317 |
1.037 |
230 |
1843 |
|
|
27 |
A" |
246 |
276 |
1.122 |
230 |
1844 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3156 |
3022 |
0.958 |
231 |
1845 |
|
|
2 |
A |
3101 |
3004 |
0.969 |
231 |
1846 |
|
|
3 |
A |
3086 |
2991 |
0.969 |
231 |
1847 |
|
|
4 |
A |
3072 |
2970 |
0.967 |
231 |
1848 |
|
|
5 |
A |
3068 |
2949 |
0.961 |
231 |
1849 |
|
|
6 |
A |
2997 |
2908 |
0.970 |
231 |
1850 |
|
|
7 |
A |
1509 |
1462 |
0.969 |
231 |
1851 |
|
|
8 |
A |
1502 |
1459 |
0.971 |
231 |
1852 |
|
|
9 |
A |
1473 |
1446 |
0.982 |
231 |
1853 |
|
|
10 |
A |
1412 |
1391 |
0.985 |
231 |
1854 |
|
|
11 |
A |
1363 |
1347 |
0.988 |
231 |
1855 |
|
|
12 |
A |
1256 |
1286 |
1.024 |
231 |
1856 |
|
|
13 |
A |
1235 |
1238 |
1.003 |
231 |
1857 |
|
|
14 |
A |
1174 |
1181 |
1.006 |
231 |
1858 |
|
|
15 |
A |
1132 |
1120 |
0.989 |
231 |
1859 |
|
|
16 |
A |
1050 |
1076 |
1.025 |
231 |
1860 |
|
|
17 |
A |
1019 |
1023 |
1.004 |
231 |
1861 |
|
|
18 |
A |
908 |
890 |
0.981 |
231 |
1862 |
|
|
19 |
A |
852 |
850 |
0.998 |
231 |
1863 |
|
|
20 |
A |
653 |
750 |
1.148 |
231 |
1864 |
|
|
21 |
A |
611 |
685 |
1.121 |
231 |
1865 |
|
|
22 |
A |
403 |
417 |
1.034 |
231 |
1866 |
|
|
23 |
A |
327 |
358 |
1.094 |
231 |
1867 |
|
|
24 |
A |
263 |
285 |
1.084 |
231 |
1868 |
|
|
25 |
A |
253 |
250 |
0.986 |
231 |
1869 |
|
|
26 |
A |
194 |
203 |
1.048 |
231 |
1870 |
|
|
27 |
A |
114 |
108 |
0.951 |
231 |
1871 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3079 |
2989 |
0.971 |
232 |
1872 |
|
|
2 |
A1 |
3064 |
2941 |
0.960 |
232 |
1873 |
|
|
3 |
A1 |
2967 |
2911 |
0.981 |
232 |
1874 |
|
|
4 |
A1 |
1686 |
1661 |
0.985 |
232 |
1875 |
|
|
5 |
A1 |
1516 |
1470 |
0.970 |
232 |
1876 |
|
|
6 |
A1 |
1445 |
1416 |
0.980 |
232 |
1877 |
|
|
7 |
A1 |
1414 |
1366 |
0.966 |
232 |
1878 |
|
|
8 |
A1 |
1083 |
1064 |
0.983 |
232 |
1879 |
|
|
9 |
A1 |
791 |
801 |
1.013 |
232 |
1880 |
|
|
10 |
A1 |
367 |
383 |
1.044 |
232 |
1881 |
|
|
11 |
A2 |
3014 |
2970 |
0.985 |
232 |
1882 |
|
|
12 |
A2 |
1491 |
1459 |
0.979 |
232 |
1883 |
|
|
13 |
A2 |
1025 |
1076 |
1.050 |
232 |
1884 |
|
|
14 |
A2 |
693 |
|
|
232 |
1885 |
|
|
15 |
A2 |
178 |
193 |
1.083 |
232 |
1886 |
|
|
16 |
B1 |
3018 |
2945 |
0.976 |
232 |
1887 |
|
|
17 |
B1 |
1511 |
1444 |
0.956 |
232 |
1888 |
|
|
18 |
B1 |
1103 |
1079 |
0.978 |
232 |
1889 |
|
|
19 |
B1 |
891 |
890 |
0.998 |
232 |
1890 |
|
|
20 |
B1 |
414 |
429 |
1.037 |
232 |
1891 |
|
|
21 |
B1 |
210 |
196 |
0.935 |
232 |
1892 |
|
|
22 |
B2 |
3161 |
3086 |
0.976 |
232 |
1893 |
|
|
23 |
B2 |
3062 |
2980 |
0.973 |
232 |
1894 |
|
|
24 |
B2 |
2962 |
2893 |
0.977 |
232 |
1895 |
|
|
25 |
B2 |
1501 |
1458 |
0.971 |
232 |
1896 |
|
|
26 |
B2 |
1400 |
1381 |
0.986 |
232 |
1897 |
|
|
27 |
B2 |
1273 |
1282 |
1.007 |
232 |
1898 |
|
|
28 |
B2 |
982 |
1043 |
1.062 |
232 |
1899 |
|
|
29 |
B2 |
950 |
974 |
1.025 |
232 |
1900 |
|
|
30 |
B2 |
429 |
430 |
1.003 |
232 |
1901 |
C6H6 |
Benzene |
1 |
A1g |
3151 |
3062 |
0.972 |
233 |
1902 |
|
|
2 |
A1g |
993 |
992 |
0.999 |
233 |
1903 |
|
|
3 |
A2g |
1385 |
1326 |
0.957 |
233 |
1904 |
|
|
4 |
A2u |
670 |
673 |
1.005 |
233 |
1905 |
|
|
5 |
B1u |
3112 |
3068 |
0.986 |
233 |
1906 |
|
|
6 |
B1u |
1028 |
1010 |
0.982 |
233 |
1907 |
|
|
7 |
B2g |
998 |
995 |
0.997 |
233 |
1908 |
|
|
8 |
B2g |
729 |
703 |
0.965 |
233 |
1909 |
|
|
9 |
B2u |
1318 |
1310 |
0.994 |
233 |
1910 |
|
|
10 |
B2u |
1194 |
1150 |
0.963 |
233 |
1911 |
|
|
11 |
E1g |
841 |
849 |
1.010 |
233 |
1912 |
|
|
12 |
E1u |
3138 |
3063 |
0.976 |
233 |
1913 |
|
|
13 |
E1u |
1490 |
1486 |
0.997 |
233 |
1914 |
|
|
14 |
E1u |
1043 |
1038 |
0.995 |
233 |
1915 |
|
|
15 |
E2g |
3121 |
3047 |
0.976 |
233 |
1916 |
|
|
16 |
E2g |
1582 |
1596 |
1.009 |
233 |
1917 |
|
|
17 |
E2g |
1203 |
1178 |
0.979 |
233 |
1918 |
|
|
18 |
E2g |
625 |
606 |
0.970 |
233 |
1919 |
|
|
19 |
E2u |
960 |
975 |
1.016 |
233 |
1920 |
|
|
20 |
E2u |
404 |
410 |
1.015 |
233 |
1921 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3173 |
3088 |
0.973 |
234 |
1922 |
|
|
2 |
A |
3104 |
3017 |
0.972 |
234 |
1923 |
|
|
3 |
A |
3091 |
3011 |
0.974 |
234 |
1924 |
|
|
4 |
A |
3085 |
2990 |
0.969 |
234 |
1925 |
|
|
5 |
A |
3070 |
2974 |
0.969 |
234 |
1926 |
|
|
6 |
A |
3059 |
2967 |
0.970 |
234 |
1927 |
|
|
7 |
A |
2987 |
2927 |
0.980 |
234 |
1928 |
|
|
8 |
A |
1656 |
1645 |
0.994 |
234 |
1929 |
|
|
9 |
A |
1508 |
1452 |
0.963 |
234 |
1930 |
|
|
10 |
A |
1502 |
1447 |
0.964 |
234 |
1931 |
|
|
11 |
A |
1461 |
1424 |
0.975 |
234 |
1932 |
|
|
12 |
A |
1411 |
1375 |
0.974 |
234 |
1933 |
|
|
13 |
A |
1322 |
1297 |
0.981 |
234 |
1934 |
|
|
14 |
A |
1313 |
1283 |
0.977 |
234 |
1935 |
|
|
15 |
A |
1218 |
1233 |
1.013 |
234 |
1936 |
|
|
16 |
A |
1171 |
1174 |
1.002 |
234 |
1937 |
|
|
17 |
A |
1085 |
1090 |
1.004 |
234 |
1938 |
|
|
18 |
A |
1035 |
1025 |
0.990 |
234 |
1939 |
|
|
19 |
A |
1001 |
988 |
0.987 |
234 |
1940 |
|
|
20 |
A |
981 |
966 |
0.984 |
234 |
1941 |
|
|
21 |
A |
935 |
931 |
0.995 |
234 |
1942 |
|
|
22 |
A |
859 |
864 |
1.006 |
234 |
1943 |
|
|
23 |
A |
691 |
708 |
1.024 |
234 |
1944 |
|
|
24 |
A |
589 |
625 |
1.062 |
234 |
1945 |
|
|
25 |
A |
436 |
456 |
1.047 |
234 |
1946 |
|
|
26 |
A |
316 |
319 |
1.009 |
234 |
1947 |
|
|
27 |
A |
291 |
305 |
1.047 |
234 |
1948 |
|
|
28 |
A |
274 |
283 |
1.034 |
234 |
1949 |
|
|
29 |
A |
255 |
245 |
0.960 |
234 |
1950 |
|
|
30 |
A |
100 |
92 |
0.917 |
234 |
1951 |
C5H8 |
Cyclopentene |
1 |
A' |
3158 |
3066 |
0.971 |
235 |
1952 |
|
|
2 |
A' |
3070 |
2958 |
0.964 |
235 |
1953 |
|
|
3 |
A' |
3025 |
2916 |
0.964 |
235 |
1954 |
|
|
4 |
A' |
3006 |
2902 |
0.966 |
235 |
1955 |
|
|
5 |
A' |
2962 |
2852 |
0.963 |
235 |
1956 |
|
|
6 |
A' |
1631 |
1616 |
0.991 |
235 |
1957 |
|
|
7 |
A' |
1506 |
1467 |
0.974 |
235 |
1958 |
|
|
8 |
A' |
1483 |
1449 |
0.977 |
235 |
1959 |
|
|
9 |
A' |
1288 |
1302 |
1.011 |
235 |
1960 |
|
|
10 |
A' |
1231 |
1284 |
1.043 |
235 |
1961 |
|
|
11 |
A' |
1126 |
1213 |
1.078 |
235 |
1962 |
|
|
12 |
A' |
1043 |
1048 |
1.004 |
235 |
1963 |
|
|
13 |
A' |
952 |
964 |
1.013 |
235 |
1964 |
|
|
14 |
A' |
884 |
962 |
1.088 |
235 |
1965 |
|
|
15 |
A' |
807 |
904 |
1.120 |
235 |
1966 |
|
|
16 |
A' |
701 |
692 |
0.986 |
235 |
1967 |
|
|
17 |
A' |
602 |
603 |
1.002 |
235 |
1968 |
|
|
18 |
A' |
127 |
254 |
1.997 |
235 |
1969 |
|
|
19 |
A" |
3129 |
3039 |
0.971 |
235 |
1970 |
|
|
20 |
A" |
3017 |
2967 |
0.983 |
235 |
1971 |
|
|
21 |
A" |
2963 |
2927 |
0.988 |
235 |
1972 |
|
|
22 |
A" |
1489 |
1467 |
0.985 |
235 |
1973 |
|
|
23 |
A" |
1350 |
1432 |
1.061 |
235 |
1974 |
|
|
24 |
A" |
1312 |
1356 |
1.034 |
235 |
1975 |
|
|
25 |
A" |
1295 |
1302 |
1.005 |
235 |
1976 |
|
|
26 |
A" |
1197 |
1297 |
1.083 |
235 |
1977 |
|
|
27 |
A" |
1162 |
1207 |
1.038 |
235 |
1978 |
|
|
28 |
A" |
1018 |
1113 |
1.093 |
235 |
1979 |
|
|
29 |
A" |
943 |
1082 |
1.147 |
235 |
1980 |
|
|
30 |
A" |
897 |
937 |
1.045 |
235 |
1981 |
|
|
31 |
A" |
872 |
800 |
0.917 |
235 |
1982 |
|
|
32 |
A" |
776 |
702 |
0.904 |
235 |
1983 |
|
|
33 |
A" |
377 |
387 |
1.028 |
235 |
1984 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3163 |
3080 |
0.974 |
236 |
1985 |
|
|
2 |
A |
3088 |
3012 |
0.976 |
236 |
1986 |
|
|
3 |
A |
3076 |
3012 |
0.979 |
236 |
1987 |
|
|
4 |
A |
2965 |
2900 |
0.978 |
236 |
1988 |
|
|
5 |
A |
1671 |
1644 |
0.984 |
236 |
1989 |
|
|
6 |
A |
1478 |
1433 |
0.970 |
236 |
1990 |
|
|
7 |
A |
1455 |
1413 |
0.971 |
236 |
1991 |
|
|
8 |
A |
1313 |
1295 |
0.986 |
236 |
1992 |
|
|
9 |
A |
1263 |
1263 |
1.000 |
236 |
1993 |
|
|
10 |
A |
1078 |
1120 |
1.039 |
236 |
1994 |
|
|
11 |
A |
1007 |
995 |
0.988 |
236 |
1995 |
|
|
12 |
A |
923 |
918 |
0.995 |
236 |
1996 |
|
|
13 |
A |
900 |
876 |
0.974 |
236 |
1997 |
|
|
14 |
A |
668 |
562 |
0.841 |
236 |
1998 |
|
|
15 |
A |
369 |
421 |
1.141 |
236 |
1999 |
|
|
16 |
A |
305 |
137 |
0.450 |
236 |
2000 |
|
|
17 |
A |
80 |
102 |
1.279 |
236 |
2001 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3080 |
2987 |
0.970 |
237 |
2002 |
|
|
2 |
A1 |
3050 |
2941 |
0.964 |
237 |
2003 |
|
|
3 |
A1 |
2969 |
2916 |
0.982 |
237 |
2004 |
|
|
4 |
A1 |
2026 |
1996 |
0.985 |
237 |
2005 |
|
|
5 |
A1 |
1523 |
1470 |
0.965 |
237 |
2006 |
|
|
6 |
A1 |
1475 |
1438 |
0.975 |
237 |
2007 |
|
|
7 |
A1 |
1409 |
1369 |
0.972 |
237 |
2008 |
|
|
8 |
A1 |
1305 |
1286 |
0.986 |
237 |
2009 |
|
|
9 |
A1 |
1019 |
973 |
0.955 |
237 |
2010 |
|
|
10 |
A1 |
714 |
726 |
1.017 |
237 |
2011 |
|
|
11 |
A1 |
329 |
349 |
1.059 |
237 |
2012 |
|
|
12 |
A2 |
3019 |
2941 |
0.974 |
237 |
2013 |
|
|
13 |
A2 |
1494 |
1470 |
0.984 |
237 |
2014 |
|
|
14 |
A2 |
1007 |
985 |
0.978 |
237 |
2015 |
|
|
15 |
A2 |
610 |
617 |
1.011 |
237 |
2016 |
|
|
17 |
B1 |
3116 |
3051 |
0.979 |
237 |
2017 |
|
|
18 |
B1 |
3022 |
2941 |
0.973 |
237 |
2018 |
|
|
19 |
B1 |
1512 |
1470 |
0.972 |
237 |
2019 |
|
|
20 |
B1 |
1095 |
1068 |
0.976 |
237 |
2020 |
|
|
21 |
B1 |
1028 |
1004 |
0.976 |
237 |
2021 |
|
|
22 |
B1 |
416 |
443 |
1.065 |
237 |
2022 |
|
|
23 |
B1 |
247 |
187 |
0.756 |
237 |
2023 |
|
|
25 |
B2 |
3079 |
2941 |
0.955 |
237 |
2024 |
|
|
26 |
B2 |
2965 |
2916 |
0.983 |
237 |
2025 |
|
|
27 |
B2 |
1497 |
1470 |
0.982 |
237 |
2026 |
|
|
28 |
B2 |
1393 |
1369 |
0.983 |
237 |
2027 |
|
|
29 |
B2 |
1164 |
1191 |
1.023 |
237 |
2028 |
|
|
30 |
B2 |
960 |
968 |
1.008 |
237 |
2029 |
|
|
31 |
B2 |
863 |
848 |
0.982 |
237 |
2030 |
|
|
32 |
B2 |
587 |
554 |
0.945 |
237 |
2031 |
|
|
33 |
B2 |
175 |
187 |
1.069 |
237 |
2032 |
C5H8 |
Spiropentane |
1 |
A1 |
3085 |
3000 |
0.972 |
238 |
2033 |
|
|
2 |
A1 |
1479 |
1423 |
0.962 |
238 |
2034 |
|
|
3 |
A1 |
1047 |
1160 |
1.108 |
238 |
2035 |
|
|
4 |
A1 |
1000 |
1037 |
1.037 |
238 |
2036 |
|
|
5 |
A1 |
568 |
588 |
1.036 |
238 |
2037 |
|
|
6 |
A2 |
3164 |
3070 |
0.970 |
238 |
2038 |
|
|
7 |
A2 |
1143 |
1174 |
1.027 |
238 |
2039 |
|
|
8 |
A2 |
824 |
919 |
1.115 |
238 |
2040 |
|
|
9 |
B1 |
3164 |
3066 |
0.969 |
238 |
2041 |
|
|
10 |
B1 |
1155 |
1166 |
1.010 |
238 |
2042 |
|
|
11 |
B1 |
1006 |
888 |
0.883 |
238 |
2043 |
|
|
12 |
B1 |
288 |
300 |
1.043 |
238 |
2044 |
|
|
13 |
B2 |
3085 |
3000 |
0.972 |
238 |
2045 |
|
|
14 |
B2 |
1499 |
1521 |
1.015 |
238 |
2046 |
|
|
15 |
B2 |
1422 |
1415 |
0.995 |
238 |
2047 |
|
|
16 |
B2 |
998 |
990 |
0.992 |
238 |
2048 |
|
|
17 |
B2 |
837 |
872 |
1.042 |
238 |
2049 |
|
|
18 |
E |
3179 |
3067 |
0.965 |
238 |
2050 |
|
|
19 |
E |
3081 |
2985 |
0.969 |
238 |
2051 |
|
|
20 |
E |
1458 |
1431 |
0.981 |
238 |
2052 |
|
|
21 |
E |
1163 |
1150 |
0.989 |
238 |
2053 |
|
|
22 |
E |
1058 |
1049 |
0.991 |
238 |
2054 |
|
|
23 |
E |
856 |
870 |
1.016 |
238 |
2055 |
|
|
24 |
E |
777 |
780 |
1.004 |
238 |
2056 |
|
|
25 |
E |
269 |
308 |
1.145 |
238 |
2057 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3002 |
2953 |
0.984 |
239 |
2058 |
|
|
2 |
A1 |
2851 |
2775 |
0.973 |
239 |
2059 |
|
|
3 |
A1 |
1518 |
1459 |
0.961 |
239 |
2060 |
|
|
4 |
A1 |
1467 |
1444 |
0.985 |
239 |
2061 |
|
|
5 |
A1 |
1172 |
1186 |
1.012 |
239 |
2062 |
|
|
6 |
A1 |
780 |
828 |
1.062 |
239 |
2063 |
|
|
7 |
A1 |
324 |
367 |
1.132 |
239 |
2064 |
|
|
8 |
A2 |
3046 |
2977 |
0.977 |
239 |
2065 |
|
|
9 |
A2 |
1510 |
1453 |
0.962 |
239 |
2066 |
|
|
10 |
A2 |
1043 |
1046 |
1.003 |
239 |
2067 |
|
|
11 |
A2 |
289 |
255 |
0.883 |
239 |
2068 |
|
|
12 |
E |
3051 |
2981 |
0.977 |
239 |
2069 |
|
|
13 |
E |
2998 |
2953 |
0.985 |
239 |
2070 |
|
|
14 |
E |
2832 |
2776 |
0.980 |
239 |
2071 |
|
|
15 |
E |
1531 |
1471 |
0.961 |
239 |
2072 |
|
|
16 |
E |
1495 |
1444 |
0.966 |
239 |
2073 |
|
|
17 |
E |
1428 |
1409 |
0.987 |
239 |
2074 |
|
|
18 |
E |
1256 |
1275 |
1.015 |
239 |
2075 |
|
|
19 |
E |
1104 |
1103 |
0.999 |
239 |
2076 |
|
|
20 |
E |
1023 |
1043 |
1.020 |
239 |
2077 |
|
|
21 |
E |
407 |
424 |
1.040 |
239 |
2078 |
|
|
22 |
E |
275 |
281 |
1.022 |
239 |
2079 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3065 |
2974 |
0.970 |
240 |
2080 |
|
|
2 |
A' |
3059 |
2953 |
0.965 |
240 |
2081 |
|
|
3 |
A' |
3029 |
2940 |
0.971 |
240 |
2082 |
|
|
4 |
A' |
2979 |
2876 |
0.966 |
240 |
2083 |
|
|
5 |
A' |
2734 |
2757 |
1.008 |
240 |
2084 |
|
|
6 |
A' |
1696 |
1752 |
1.033 |
240 |
2085 |
|
|
7 |
A' |
1527 |
1474 |
0.965 |
240 |
2086 |
|
|
8 |
A' |
1520 |
1449 |
0.953 |
240 |
2087 |
|
|
9 |
A' |
1418 |
1399 |
0.987 |
240 |
2088 |
|
|
10 |
A' |
1395 |
1381 |
0.990 |
240 |
2089 |
|
|
11 |
A' |
1285 |
1329 |
1.034 |
240 |
2090 |
|
|
12 |
A' |
1170 |
1182 |
1.010 |
240 |
2091 |
|
|
13 |
A' |
1151 |
1138 |
0.989 |
240 |
2092 |
|
|
14 |
A' |
891 |
922 |
1.034 |
240 |
2093 |
|
|
15 |
A' |
832 |
800 |
0.961 |
240 |
2094 |
|
|
16 |
A' |
526 |
632 |
1.202 |
240 |
2095 |
|
|
17 |
A' |
340 |
395 |
1.162 |
240 |
2096 |
|
|
18 |
A' |
332 |
272 |
0.820 |
240 |
2097 |
|
|
19 |
A' |
238 |
212 |
0.892 |
240 |
2098 |
|
|
20 |
A" |
3063 |
2990 |
0.976 |
240 |
2099 |
|
|
21 |
A" |
3048 |
2982 |
0.978 |
240 |
2100 |
|
|
22 |
A" |
2977 |
2885 |
0.969 |
240 |
2101 |
|
|
23 |
A" |
1507 |
1467 |
0.974 |
240 |
2102 |
|
|
24 |
A" |
1503 |
1452 |
0.966 |
240 |
2103 |
|
|
25 |
A" |
1398 |
1437 |
1.028 |
240 |
2104 |
|
|
26 |
A" |
1324 |
1290 |
0.974 |
240 |
2105 |
|
|
27 |
A" |
1108 |
1109 |
1.001 |
240 |
2106 |
|
|
28 |
A" |
975 |
965 |
0.989 |
240 |
2107 |
|
|
29 |
A" |
957 |
942 |
0.984 |
240 |
2108 |
|
|
30 |
A" |
939 |
933 |
0.993 |
240 |
2109 |
|
|
31 |
A" |
338 |
351 |
1.039 |
240 |
2110 |
|
|
32 |
A" |
223 |
227 |
1.018 |
240 |
2111 |
|
|
33 |
A" |
79 |
75 |
0.947 |
240 |
2112 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
422 |
1442 |
3.420 |
241 |
2113 |
|
|
|
Ag |
829 |
1151 |
1.389 |
241 |
2114 |
|
|
|
Au |
1293 |
1257 |
0.972 |
241 |
2115 |
|
|
|
Bg |
1519 |
1300 |
0.856 |
241 |
2116 |
|
|
|
Bu |
2973 |
2870 |
0.965 |
241 |
2117 |
|
|
|
Bu |
2978 |
1461 |
0.491 |
241 |
2118 |
|
|
|
Bu |
3052 |
964 |
0.316 |
241 |
2119 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3271 |
3345 |
1.023 |
242 |
2120 |
|
|
2 |
A' |
3116 |
2975 |
0.955 |
242 |
2121 |
|
|
3 |
A' |
3076 |
2950 |
0.959 |
242 |
2122 |
|
|
4 |
A' |
3039 |
2918 |
0.960 |
242 |
2123 |
|
|
5 |
A' |
3016 |
2905 |
0.963 |
242 |
2124 |
|
|
6 |
A' |
2882 |
2887 |
1.002 |
242 |
2125 |
|
|
7 |
A' |
1662 |
1614 |
0.971 |
242 |
2126 |
|
|
8 |
A' |
1489 |
1467 |
0.985 |
242 |
2127 |
|
|
9 |
A' |
1462 |
1443 |
0.987 |
242 |
2128 |
|
|
10 |
A' |
1336 |
1390 |
1.040 |
242 |
2129 |
|
|
11 |
A' |
1245 |
1291 |
1.037 |
242 |
2130 |
|
|
12 |
A' |
1210 |
1237 |
1.023 |
242 |
2131 |
|
|
13 |
A' |
1109 |
1137 |
1.026 |
242 |
2132 |
|
|
14 |
A' |
1050 |
1120 |
1.066 |
242 |
2133 |
|
|
15 |
A' |
928 |
1050 |
1.131 |
242 |
2134 |
|
|
16 |
A' |
874 |
965 |
1.104 |
242 |
2135 |
|
|
17 |
A' |
839 |
788 |
0.940 |
242 |
2136 |
|
|
18 |
A' |
704 |
752 |
1.069 |
242 |
2137 |
|
|
19 |
A' |
630 |
606 |
0.962 |
242 |
2138 |
|
|
20 |
A' |
387 |
448 |
1.157 |
242 |
2139 |
|
|
21 |
A' |
182 |
174 |
0.955 |
242 |
2140 |
|
|
22 |
A" |
3372 |
3411 |
1.012 |
242 |
2141 |
|
|
23 |
A" |
3079 |
2970 |
0.965 |
242 |
2142 |
|
|
24 |
A" |
3010 |
2957 |
0.982 |
242 |
2143 |
|
|
25 |
A" |
1461 |
1452 |
0.994 |
242 |
2144 |
|
|
26 |
A" |
1310 |
1213 |
0.926 |
242 |
2145 |
|
|
27 |
A" |
1266 |
1185 |
0.936 |
242 |
2146 |
|
|
28 |
A" |
1238 |
1168 |
0.944 |
242 |
2147 |
|
|
29 |
A" |
1193 |
1036 |
0.869 |
242 |
2148 |
|
|
30 |
A" |
1125 |
|
|
242 |
2149 |
|
|
31 |
A" |
1039 |
925 |
0.890 |
242 |
2150 |
|
|
32 |
A" |
898 |
912 |
1.016 |
242 |
2151 |
|
|
33 |
A" |
883 |
883 |
1.000 |
242 |
2152 |
|
|
34 |
A" |
754 |
788 |
1.045 |
242 |
2153 |
|
|
35 |
A" |
383 |
354 |
0.925 |
242 |
2154 |
|
|
36 |
A" |
282 |
240 |
0.852 |
242 |
2155 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3043 |
2968 |
0.975 |
243 |
2156 |
|
|
2 |
Ag |
2930 |
2856 |
0.975 |
243 |
2157 |
|
|
3 |
Ag |
1481 |
1444 |
0.975 |
243 |
2158 |
|
|
4 |
Ag |
1386 |
1397 |
1.008 |
243 |
2159 |
|
|
5 |
Ag |
1281 |
1305 |
1.019 |
243 |
2160 |
|
|
6 |
Ag |
1097 |
1128 |
1.028 |
243 |
2161 |
|
|
7 |
Ag |
973 |
1015 |
1.044 |
243 |
2162 |
|
|
8 |
Ag |
809 |
837 |
1.034 |
243 |
2163 |
|
|
9 |
Ag |
418 |
435 |
1.040 |
243 |
2164 |
|
|
10 |
Ag |
388 |
424 |
1.094 |
243 |
2165 |
|
|
11 |
Au |
3040 |
2970 |
0.977 |
243 |
2166 |
|
|
12 |
Au |
2924 |
2863 |
0.979 |
243 |
2167 |
|
|
13 |
Au |
1466 |
1449 |
0.989 |
243 |
2168 |
|
|
14 |
Au |
1346 |
1369 |
1.017 |
243 |
2169 |
|
|
15 |
Au |
1247 |
1256 |
1.007 |
243 |
2170 |
|
|
16 |
Au |
1058 |
1136 |
1.074 |
243 |
2171 |
|
|
17 |
Au |
1050 |
1086 |
1.034 |
243 |
2172 |
|
|
18 |
Au |
856 |
881 |
1.029 |
243 |
2173 |
|
|
19 |
Au |
225 |
288 |
1.278 |
243 |
2174 |
|
|
20 |
Bg |
3041 |
2968 |
0.976 |
243 |
2175 |
|
|
21 |
Bg |
2935 |
2856 |
0.973 |
243 |
2176 |
|
|
22 |
Bg |
1468 |
1459 |
0.994 |
243 |
2177 |
|
|
23 |
Bg |
1324 |
1335 |
1.008 |
243 |
2178 |
|
|
24 |
Bg |
1199 |
1217 |
1.015 |
243 |
2179 |
|
|
25 |
Bg |
1038 |
1110 |
1.069 |
243 |
2180 |
|
|
26 |
Bg |
841 |
853 |
1.014 |
243 |
2181 |
|
|
27 |
Bg |
448 |
490 |
1.094 |
243 |
2182 |
|
|
28 |
Bu |
3042 |
2970 |
0.976 |
243 |
2183 |
|
|
29 |
Bu |
2940 |
2863 |
0.974 |
243 |
2184 |
|
|
30 |
Bu |
1476 |
1457 |
0.987 |
243 |
2185 |
|
|
31 |
Bu |
1386 |
1378 |
0.994 |
243 |
2186 |
|
|
32 |
Bu |
1274 |
1291 |
1.013 |
243 |
2187 |
|
|
33 |
Bu |
1040 |
1052 |
1.011 |
243 |
2188 |
|
|
34 |
Bu |
816 |
889 |
1.090 |
243 |
2189 |
|
|
35 |
Bu |
564 |
610 |
1.081 |
243 |
2190 |
|
|
36 |
Bu |
262 |
274 |
1.048 |
243 |
2191 |
C8H8 |
cubane |
1 |
A1g |
3121 |
2995 |
0.960 |
244 |
2192 |
|
|
2 |
A1g |
997 |
1002 |
1.005 |
244 |
2193 |
|
|
3 |
A2u |
3076 |
2978 |
0.968 |
244 |
2194 |
|
|
4 |
A2u |
1060 |
839 |
0.791 |
244 |
2195 |
|
|
5 |
Eg |
1087 |
1083 |
0.996 |
244 |
2196 |
|
|
6 |
Eg |
919 |
912 |
0.993 |
244 |
2197 |
|
|
7 |
Eu |
1198 |
1151 |
0.961 |
244 |
2198 |
|
|
8 |
Eu |
631 |
617 |
0.979 |
244 |
2199 |
|
|
9 |
T1g |
1152 |
1130 |
0.981 |
244 |
2200 |
|
|
10 |
T1u |
3097 |
2978 |
0.962 |
244 |
2201 |
|
|
11 |
T1u |
1223 |
1230 |
1.006 |
244 |
2202 |
|
|
12 |
T1u |
861 |
853 |
0.990 |
244 |
2203 |
|
|
13 |
T2g |
3086 |
2970 |
0.962 |
244 |
2204 |
|
|
14 |
T2g |
1186 |
1182 |
0.996 |
244 |
2205 |
|
|
15 |
T2g |
830 |
821 |
0.989 |
244 |
2206 |
|
|
16 |
T2g |
698 |
665 |
0.953 |
244 |
2207 |
|
|
17 |
T2u |
1045 |
1036 |
0.991 |
244 |
2208 |
|
|
18 |
T2u |
840 |
829 |
0.987 |
244 |
2209 |
C5H12 |
Pentane |
1 |
A1 |
3052 |
2973 |
0.974 |
245 |
2210 |
|
|
2 |
A1 |
2978 |
2892 |
0.971 |
245 |
2211 |
|
|
3 |
A1 |
2975 |
2866 |
0.963 |
245 |
2212 |
|
|
4 |
A1 |
2957 |
2866 |
0.969 |
245 |
2213 |
|
|
5 |
A1 |
1527 |
1480 |
0.969 |
245 |
2214 |
|
|
6 |
A1 |
1512 |
1463 |
0.967 |
245 |
2215 |
|
|
7 |
A1 |
1496 |
1450 |
0.969 |
245 |
2216 |
|
|
8 |
A1 |
1410 |
1379 |
0.978 |
245 |
2217 |
|
|
9 |
A1 |
1349 |
1346 |
0.998 |
245 |
2218 |
|
|
10 |
A1 |
1147 |
1144 |
0.997 |
245 |
2219 |
|
|
11 |
A1 |
1018 |
1036 |
1.018 |
245 |
2220 |
|
|
12 |
A1 |
864 |
867 |
1.004 |
245 |
2221 |
|
|
13 |
A1 |
393 |
401 |
1.021 |
245 |
2222 |
|
|
14 |
A1 |
175 |
179 |
1.025 |
245 |
2223 |
|
|
15 |
A2 |
3050 |
2967 |
0.973 |
245 |
2224 |
|
|
16 |
A2 |
3003 |
2908 |
0.968 |
245 |
2225 |
|
|
17 |
A2 |
1521 |
1462 |
0.961 |
245 |
2226 |
|
|
18 |
A2 |
1333 |
1346 |
1.010 |
245 |
2227 |
|
|
19 |
A2 |
1268 |
1269 |
1.001 |
245 |
2228 |
|
|
20 |
A2 |
1010 |
993 |
0.983 |
245 |
2229 |
|
|
21 |
A2 |
769 |
766 |
0.996 |
245 |
2230 |
|
|
22 |
A2 |
248 |
210 |
0.846 |
245 |
2231 |
|
|
23 |
A2 |
120 |
131 |
1.092 |
245 |
2232 |
|
|
24 |
B1 |
3053 |
2965 |
0.971 |
245 |
2233 |
|
|
25 |
B1 |
3022 |
2930 |
0.970 |
245 |
2234 |
|
|
26 |
B1 |
2985 |
2930 |
0.982 |
245 |
2235 |
|
|
27 |
B1 |
1520 |
1469 |
0.967 |
245 |
2236 |
|
|
28 |
B1 |
1329 |
1303 |
0.980 |
245 |
2237 |
|
|
29 |
B1 |
1197 |
1170 |
0.977 |
245 |
2238 |
|
|
30 |
B1 |
876 |
858 |
0.979 |
245 |
2239 |
|
|
31 |
B1 |
733 |
727 |
0.992 |
245 |
2240 |
|
|
32 |
B1 |
242 |
215 |
0.887 |
245 |
2241 |
|
|
33 |
B1 |
118 |
88 |
0.747 |
245 |
2242 |
|
|
34 |
B2 |
3052 |
2965 |
0.972 |
245 |
2243 |
|
|
35 |
B2 |
2976 |
2879 |
0.967 |
245 |
2244 |
|
|
36 |
B2 |
2968 |
2866 |
0.966 |
245 |
2245 |
|
|
37 |
B2 |
1523 |
1476 |
0.969 |
245 |
2246 |
|
|
38 |
B2 |
1500 |
1456 |
0.971 |
245 |
2247 |
|
|
39 |
B2 |
1413 |
1389 |
0.983 |
245 |
2248 |
|
|
40 |
B2 |
1354 |
1379 |
1.018 |
245 |
2249 |
|
|
41 |
B2 |
1289 |
1269 |
0.984 |
245 |
2250 |
|
|
42 |
B2 |
1060 |
1073 |
1.012 |
245 |
2251 |
|
|
43 |
B2 |
1022 |
1024 |
1.002 |
245 |
2252 |
|
|
44 |
B2 |
912 |
910 |
0.998 |
245 |
2253 |
|
|
45 |
B2 |
393 |
406 |
1.034 |
245 |
2254 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
2975 |
2909 |
0.978 |
246 |
2255 |
|
|
2 |
A1 |
1429 |
1381 |
0.966 |
246 |
2256 |
|
|
3 |
A1 |
715 |
733 |
1.025 |
246 |
2257 |
|
|
4 |
A2 |
281 |
198 |
0.705 |
246 |
2258 |
|
|
5 |
E |
3046 |
2955 |
0.970 |
246 |
2259 |
|
|
6 |
E |
1512 |
1451 |
0.960 |
246 |
2260 |
|
|
7 |
E |
1096 |
999 |
0.912 |
246 |
2261 |
|
|
8 |
E |
338 |
335 |
0.991 |
246 |
2262 |
|
|
9 |
T1 |
3044 |
2975 |
0.977 |
246 |
2263 |
|
|
10 |
T1 |
1503 |
1461 |
0.972 |
246 |
2264 |
|
|
11 |
T1 |
974 |
932 |
0.956 |
246 |
2265 |
|
|
12 |
T1 |
334 |
203 |
0.607 |
246 |
2266 |
|
|
13 |
T2 |
3049 |
2959 |
0.970 |
246 |
2267 |
|
|
14 |
T2 |
2968 |
2876 |
0.969 |
246 |
2268 |
|
|
15 |
T2 |
1541 |
1475 |
0.957 |
246 |
2269 |
|
|
16 |
T2 |
1395 |
1372 |
0.983 |
246 |
2270 |
|
|
17 |
T2 |
1265 |
1256 |
0.993 |
246 |
2271 |
|
|
18 |
T2 |
929 |
925 |
0.995 |
246 |
2272 |
|
|
19 |
T2 |
413 |
418 |
1.011 |
246 |
2273 |
C5H11N |
Piperidine |
1 |
A' |
3319 |
3341 |
1.007 |
247 |
2274 |
|
|
2 |
A' |
3045 |
2947 |
0.968 |
247 |
2275 |
|
|
3 |
A' |
3019 |
2931 |
0.971 |
247 |
2276 |
|
|
4 |
A' |
3014 |
2917 |
0.968 |
247 |
2277 |
|
|
5 |
A' |
2984 |
2892 |
0.969 |
247 |
2278 |
|
|
6 |
A' |
2961 |
2850 |
0.962 |
247 |
2279 |
|
|
7 |
A' |
2829 |
2730 |
0.965 |
247 |
2280 |
|
|
8 |
A' |
1501 |
1476 |
0.983 |
247 |
2281 |
|
|
9 |
A' |
1489 |
1452 |
0.975 |
247 |
2282 |
|
|
10 |
A' |
1483 |
1444 |
0.974 |
247 |
2283 |
|
|
11 |
A' |
1394 |
1386 |
0.994 |
247 |
2284 |
|
|
12 |
A' |
1356 |
1365 |
1.007 |
247 |
2285 |
|
|
13 |
A' |
1292 |
1346 |
1.042 |
247 |
2286 |
|
|
14 |
A' |
1282 |
1266 |
0.987 |
247 |
2287 |
|
|
15 |
A' |
1134 |
1164 |
1.027 |
247 |
2288 |
|
|
16 |
A' |
1054 |
1035 |
0.982 |
247 |
2289 |
|
|
17 |
A' |
1030 |
1006 |
0.977 |
247 |
2290 |
|
|
18 |
A' |
898 |
906 |
1.009 |
247 |
2291 |
|
|
19 |
A' |
852 |
853 |
1.001 |
247 |
2292 |
|
|
20 |
A' |
807 |
822 |
1.018 |
247 |
2293 |
|
|
21 |
A' |
681 |
743 |
1.091 |
247 |
2294 |
|
|
22 |
A' |
518 |
546 |
1.054 |
247 |
2295 |
|
|
23 |
A' |
422 |
432 |
1.024 |
247 |
2296 |
|
|
24 |
A' |
383 |
404 |
1.054 |
247 |
2297 |
|
|
25 |
A' |
238 |
246 |
1.034 |
247 |
2298 |
|
|
26 |
A" |
3039 |
2940 |
0.968 |
247 |
2299 |
|
|
27 |
A" |
3013 |
2902 |
0.963 |
247 |
2300 |
|
|
28 |
A" |
2985 |
2850 |
0.955 |
247 |
2301 |
|
|
29 |
A" |
2820 |
2803 |
0.994 |
247 |
2302 |
|
|
30 |
A" |
1492 |
1468 |
0.984 |
247 |
2303 |
|
|
31 |
A" |
1472 |
1460 |
0.992 |
247 |
2304 |
|
|
32 |
A" |
1463 |
1436 |
0.982 |
247 |
2305 |
|
|
33 |
A" |
1356 |
1332 |
0.982 |
247 |
2306 |
|
|
34 |
A" |
1351 |
1318 |
0.975 |
247 |
2307 |
|
|
35 |
A" |
1322 |
1285 |
0.972 |
247 |
2308 |
|
|
36 |
A" |
1286 |
1258 |
0.978 |
247 |
2309 |
|
|
37 |
A" |
1173 |
1191 |
1.015 |
247 |
2310 |
|
|
38 |
A" |
1159 |
1146 |
0.989 |
247 |
2311 |
|
|
39 |
A" |
1081 |
1115 |
1.031 |
247 |
2312 |
|
|
40 |
A" |
1051 |
1052 |
1.001 |
247 |
2313 |
|
|
41 |
A" |
974 |
964 |
0.989 |
247 |
2314 |
|
|
42 |
A" |
861 |
874 |
1.015 |
247 |
2315 |
|
|
43 |
A" |
804 |
810 |
1.008 |
247 |
2316 |
|
|
44 |
A" |
437 |
445 |
1.018 |
247 |
2317 |
|
|
45 |
A" |
243 |
254 |
1.046 |
247 |
2318 |
C6H12 |
Cyclohexane |
1 |
A1g |
3012 |
2930 |
0.973 |
248 |
2319 |
|
|
2 |
A1g |
2964 |
2852 |
0.962 |
248 |
2320 |
|
|
3 |
A1g |
1508 |
1465 |
0.971 |
248 |
2321 |
|
|
4 |
A1g |
1158 |
1157 |
1.000 |
248 |
2322 |
|
|
5 |
A1g |
792 |
802 |
1.013 |
248 |
2323 |
|
|
6 |
A1g |
379 |
383 |
1.010 |
248 |
2324 |
|
|
7 |
A1u |
1346 |
1383 |
1.028 |
248 |
2325 |
|
|
8 |
A1u |
1132 |
1157 |
1.022 |
248 |
2326 |
|
|
9 |
A1u |
1062 |
1057 |
0.995 |
248 |
2327 |
|
|
10 |
A2g |
1347 |
1437 |
1.067 |
248 |
2328 |
|
|
11 |
A2g |
1086 |
1090 |
1.004 |
248 |
2329 |
|
|
12 |
A2u |
3029 |
2915 |
0.962 |
248 |
2330 |
|
|
13 |
A2u |
2964 |
2860 |
0.965 |
248 |
2331 |
|
|
14 |
A2u |
1500 |
1437 |
0.958 |
248 |
2332 |
|
|
15 |
A2u |
1032 |
1030 |
0.998 |
248 |
2333 |
|
|
16 |
A2u |
508 |
523 |
1.029 |
248 |
2334 |
|
|
17 |
Eg |
3017 |
2930 |
0.971 |
248 |
2335 |
|
|
18 |
Eg |
2964 |
2897 |
0.977 |
248 |
2336 |
|
|
19 |
Eg |
1486 |
1443 |
0.971 |
248 |
2337 |
|
|
20 |
Eg |
1349 |
1347 |
0.999 |
248 |
2338 |
|
|
21 |
Eg |
1278 |
1266 |
0.991 |
248 |
2339 |
|
|
22 |
Eg |
1028 |
1027 |
0.999 |
248 |
2340 |
|
|
23 |
Eg |
780 |
785 |
1.006 |
248 |
2341 |
|
|
24 |
Eg |
415 |
426 |
1.027 |
248 |
2342 |
|
|
25 |
Eu |
3009 |
2933 |
0.975 |
248 |
2343 |
|
|
26 |
Eu |
2962 |
2863 |
0.967 |
248 |
2344 |
|
|
27 |
Eu |
1486 |
1457 |
0.980 |
248 |
2345 |
|
|
28 |
Eu |
1365 |
1355 |
0.993 |
248 |
2346 |
|
|
29 |
Eu |
1284 |
1261 |
0.982 |
248 |
2347 |
|
|
30 |
Eu |
908 |
907 |
0.999 |
248 |
2348 |
|
|
31 |
Eu |
849 |
863 |
1.017 |
248 |
2349 |
|
|
32 |
Eu |
226 |
248 |
1.098 |
248 |
2350 |
C6H14 |
Hexane |
1 |
Ag |
3051 |
2966 |
0.972 |
249 |
2351 |
|
|
2 |
Ag |
2976 |
2877 |
0.967 |
249 |
2352 |
|
|
3 |
Ag |
2970 |
2863 |
0.964 |
249 |
2353 |
|
|
4 |
Ag |
2954 |
2852 |
0.965 |
249 |
2354 |
|
|
5 |
Ag |
1524 |
1460 |
0.958 |
249 |
2355 |
|
|
6 |
Ag |
1503 |
1460 |
0.972 |
249 |
2356 |
|
|
7 |
Ag |
1493 |
1440 |
0.965 |
249 |
2357 |
|
|
8 |
Ag |
1409 |
1397 |
0.992 |
249 |
2358 |
|
|
9 |
Ag |
1350 |
1366 |
1.012 |
249 |
2359 |
|
|
10 |
Ag |
1325 |
1305 |
0.985 |
249 |
2360 |
|
|
11 |
Ag |
1141 |
1140 |
0.999 |
249 |
2361 |
|
|
12 |
Ag |
1047 |
1065 |
1.017 |
249 |
2362 |
|
|
13 |
Ag |
984 |
1007 |
1.023 |
249 |
2363 |
|
|
14 |
Ag |
897 |
901 |
1.005 |
249 |
2364 |
|
|
15 |
Ag |
360 |
371 |
1.029 |
249 |
2365 |
|
|
16 |
Ag |
291 |
305 |
1.048 |
249 |
2366 |
|
|
17 |
Au |
3052 |
2967 |
0.972 |
249 |
2367 |
|
|
18 |
Au |
3025 |
2936 |
0.970 |
249 |
2368 |
|
|
19 |
Au |
2994 |
2920 |
0.975 |
249 |
2369 |
|
|
20 |
Au |
1520 |
1460 |
0.961 |
249 |
2370 |
|
|
21 |
Au |
1334 |
1303 |
0.977 |
249 |
2371 |
|
|
22 |
Au |
1251 |
1222 |
0.977 |
249 |
2372 |
|
|
23 |
Au |
1028 |
1010 |
0.983 |
249 |
2373 |
|
|
24 |
Au |
808 |
824 |
1.020 |
249 |
2374 |
|
|
25 |
Au |
728 |
726 |
0.997 |
249 |
2375 |
|
|
26 |
Au |
253 |
216 |
0.853 |
249 |
2376 |
|
|
27 |
Au |
104 |
94 |
0.903 |
249 |
2377 |
|
|
28 |
Au |
72 |
61 |
0.851 |
249 |
2378 |
|
|
29 |
Bg |
3050 |
2966 |
0.972 |
249 |
2379 |
|
|
30 |
Bg |
3010 |
2908 |
0.966 |
249 |
2380 |
|
|
31 |
Bg |
2981 |
2908 |
0.975 |
249 |
2381 |
|
|
32 |
Bg |
1520 |
1460 |
0.960 |
249 |
2382 |
|
|
33 |
Bg |
1328 |
1305 |
0.983 |
249 |
2383 |
|
|
34 |
Bg |
1308 |
1283 |
0.981 |
249 |
2384 |
|
|
35 |
Bg |
1194 |
1168 |
0.978 |
249 |
2385 |
|
|
36 |
Bg |
913 |
894 |
0.979 |
249 |
2386 |
|
|
37 |
Bg |
744 |
740 |
0.994 |
249 |
2387 |
|
|
38 |
Bg |
242 |
208 |
0.860 |
249 |
2388 |
|
|
39 |
Bg |
147 |
125 |
0.849 |
249 |
2389 |
|
|
40 |
Bu |
3051 |
2967 |
0.972 |
249 |
2390 |
|
|
41 |
Bu |
2977 |
2884 |
0.969 |
249 |
2391 |
|
|
42 |
Bu |
2973 |
2867 |
0.964 |
249 |
2392 |
|
|
43 |
Bu |
2959 |
2851 |
0.963 |
249 |
2393 |
|
|
44 |
Bu |
1525 |
1476 |
0.968 |
249 |
2394 |
|
|
45 |
Bu |
1512 |
1465 |
0.969 |
249 |
2395 |
|
|
46 |
Bu |
1493 |
1452 |
0.972 |
249 |
2396 |
|
|
47 |
Bu |
1407 |
1387 |
0.986 |
249 |
2397 |
|
|
48 |
Bu |
1354 |
1375 |
1.015 |
249 |
2398 |
|
|
49 |
Bu |
1268 |
1249 |
0.985 |
249 |
2399 |
|
|
50 |
Bu |
1067 |
1061 |
0.994 |
249 |
2400 |
|
|
51 |
Bu |
1026 |
1035 |
1.008 |
249 |
2401 |
|
|
52 |
Bu |
873 |
888 |
1.017 |
249 |
2402 |
|
|
53 |
Bu |
459 |
470 |
1.023 |
249 |
2403 |
|
|
54 |
Bu |
132 |
139 |
1.054 |
249 |
2404 |