H2 |
Hydrogen diatomic |
1 |
Σg |
4047 |
4161 |
1.028 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
3061 |
1360 |
0.444 |
2 |
2 |
NaH |
sodium hydride |
1 |
Σ |
2924 |
1133 |
0.388 |
3 |
3 |
BeH |
beryllium monohydride |
1 |
Σ |
3018 |
1987 |
0.658 |
4 |
4 |
MgH |
magnesium monohydride |
1 |
Σ |
2921 |
1432 |
0.490 |
5 |
5 |
BH |
Boron monohydride |
1 |
Σ |
2990 |
2269 |
0.759 |
6 |
6 |
AlH |
aluminum monohydride |
1 |
Σ |
2915 |
1625 |
0.558 |
7 |
7 |
CH |
Methylidyne |
1 |
Σ |
2980 |
2733 |
0.917 |
8 |
8 |
C2 |
Carbon diatomic |
1 |
Σg |
2032 |
1827 |
0.900 |
9 |
9 |
SiH |
Silylidyne |
1 |
Σ |
2913 |
1971 |
0.677 |
10 |
10 |
NH |
Imidogen |
1 |
Σ |
2963 |
3126 |
1.055 |
11 |
11 |
CN |
Cyano radical |
1 |
Σ |
1958 |
2042 |
1.043 |
12 |
12 |
N2 |
Nitrogen diatomic |
1 |
Σg |
1881 |
2330 |
1.239 |
13 |
13 |
SiN |
Silicon nitride |
1 |
Σ |
1330 |
1138 |
0.856 |
14 |
14 |
PH |
phosphorus monohydride |
1 |
Σ |
2908 |
2276 |
0.783 |
15 |
15 |
CP |
Carbon monophosphide |
1 |
Σ |
1382 |
1226 |
0.887 |
16 |
16 |
PN |
Phosphorus mononitride |
1 |
Σ |
1308 |
1323 |
1.011 |
17 |
17 |
P2 |
Phosphorus diatomic |
1 |
Σg |
1265 |
775 |
0.613 |
18 |
18 |
OH |
Hydroxyl radical |
1 |
Σ |
2951 |
3570 |
1.210 |
19 |
19 |
LiO |
lithium oxide |
1 |
Σ |
1301 |
799 |
0.614 |
20 |
20 |
BeO |
beryllium oxide |
1 |
Σ |
1197 |
1435 |
1.199 |
21 |
21 |
BO |
boron monoxide |
1 |
Σ |
1591 |
1862 |
1.170 |
22 |
22 |
CO |
Carbon monoxide |
1 |
Σ |
1900 |
2143 |
1.128 |
23 |
23 |
NaO |
sodium monoxide |
1 |
Σ |
935 |
|
|
24 |
24 |
MgO |
magnesium oxide |
1 |
Σ |
927 |
775 |
0.836 |
25 |
25 |
SiO |
Silicon monoxide |
1 |
Σ |
1274 |
1230 |
0.965 |
26 |
26 |
HS |
Mercapto radical |
1 |
Σ |
2907 |
2599 |
0.894 |
27 |
27 |
BeS |
beryllium sulfide |
1 |
Σ |
1532 |
986 |
0.643 |
28 |
28 |
BS |
boron sulfide |
1 |
Σ |
1420 |
1167 |
0.822 |
29 |
29 |
CS |
carbon monosulfide |
1 |
Σ |
1685 |
1272 |
0.755 |
30 |
30 |
SO |
Sulfur monoxide |
1 |
Σ |
1244 |
1138 |
0.915 |
31 |
31 |
MgS |
magnesium sulfide |
1 |
Σ |
1098 |
523 |
0.477 |
32 |
32 |
AlS |
Aluminum sulfide |
1 |
Σ |
1062 |
610 |
0.575 |
33 |
33 |
SiS |
silicon monosulfide |
1 |
Σ |
1052 |
744 |
0.708 |
34 |
34 |
S2 |
Sulfur diatomic |
1 |
Σg |
1016 |
720 |
0.709 |
35 |
35 |
HF |
Hydrogen fluoride |
1 |
Σ |
2937 |
3961 |
1.349 |
36 |
36 |
LiF |
lithium fluoride |
1 |
Σ |
1269 |
896 |
0.706 |
37 |
37 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1162 |
|
|
38 |
38 |
CF |
Fluoromethylidyne |
1 |
Σ |
1059 |
1286 |
1.214 |
39 |
39 |
NF |
nitrogen fluoride |
1 |
Σ |
1012 |
1123 |
1.110 |
40 |
40 |
F2 |
Fluorine diatomic |
1 |
Σg |
932 |
894 |
0.959 |
41 |
41 |
NaF |
sodium fluoride |
1 |
Σ |
891 |
529 |
0.593 |
42 |
42 |
MgF |
Magnesium monofluoride |
1 |
Σ |
882 |
|
|
43 |
43 |
AlF |
Aluminum monofluoride |
1 |
Σ |
860 |
793 |
0.921 |
44 |
44 |
SiF |
silicon monofluoride |
1 |
Σ |
854 |
848 |
0.993 |
45 |
45 |
PF |
phosphorus monofluoride |
1 |
Σ |
837 |
838 |
1.001 |
46 |
46 |
SF |
Monosulfur monofluoride |
1 |
Σ |
832 |
829 |
0.996 |
47 |
47 |
HCl |
Hydrogen chloride |
1 |
Σ |
2903 |
2886 |
0.994 |
48 |
48 |
LiCl |
lithium chloride |
1 |
Σ |
1189 |
634 |
0.534 |
49 |
49 |
BeCl |
beryllium monochloride |
1 |
Σ |
1073 |
847 |
0.789 |
50 |
50 |
BCl |
boron monochloride |
1 |
Σ |
993 |
829 |
0.835 |
51 |
51 |
CCl |
carbon monochloride |
1 |
Σ |
961 |
866 |
0.901 |
52 |
52 |
ClO |
Monochlorine monoxide |
1 |
Σ |
867 |
843 |
0.972 |
53 |
53 |
ClF |
Chlorine monofluoride |
1 |
Σ |
819 |
773 |
0.945 |
54 |
54 |
NaCl |
Sodium Chloride |
1 |
Σ |
771 |
361 |
0.468 |
55 |
55 |
MgCl |
magnesium monochloride |
1 |
Σ |
762 |
|
|
56 |
56 |
SiCl |
Clorosilylidyne |
1 |
Σ |
729 |
531 |
0.729 |
57 |
57 |
PCl |
phosphorus chloride |
1 |
Σ |
709 |
547 |
0.772 |
58 |
58 |
SCl |
sulfur monochloride |
1 |
Σ |
703 |
577 |
0.821 |
59 |
59 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
687 |
554 |
0.807 |
60 |
60 |
BeH2 |
beryllium dihydride |
2 |
Σu |
3166 |
2159 |
0.682 |
61 |
61 |
|
|
3 |
Πu |
5286 |
698 |
0.132 |
61 |
62 |
MgH2 |
magnesium dihydride |
2 |
Σu |
2980 |
1572 |
0.528 |
62 |
63 |
|
|
3 |
Πu |
4975 |
440 |
0.088 |
62 |
64 |
BH2 |
boron dihydride |
2 |
A1 |
1345 |
954 |
0.709 |
63 |
65 |
AlH2 |
aluminum dihydride |
1 |
A1 |
2898 |
1770 |
0.611 |
64 |
66 |
|
|
2 |
A1 |
1146 |
760 |
0.663 |
64 |
67 |
|
|
3 |
B2 |
2932 |
1807 |
0.616 |
64 |
68 |
SiH2 |
silicon dihydride |
1 |
A1 |
2896 |
1996 |
0.689 |
65 |
69 |
|
|
2 |
A1 |
1245 |
999 |
0.802 |
65 |
70 |
|
|
3 |
B2 |
2930 |
1993 |
0.680 |
65 |
71 |
NH2 |
Amino radical |
1 |
A1 |
2915 |
3219 |
1.104 |
66 |
72 |
|
|
2 |
A1 |
1656 |
1497 |
0.904 |
66 |
73 |
|
|
3 |
B2 |
3012 |
3301 |
1.096 |
66 |
74 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3024 |
3312 |
1.095 |
67 |
75 |
|
|
2 |
Σ |
1888 |
2089 |
1.106 |
67 |
76 |
|
|
3 |
Π |
1348 |
712 |
0.528 |
67 |
77 |
PH2 |
Phosphino radical |
1 |
A1 |
2906 |
2310 |
0.795 |
68 |
78 |
|
|
2 |
A1 |
1285 |
1102 |
0.857 |
68 |
79 |
HCP |
Phosphaethyne |
1 |
Σ |
3018 |
3217 |
1.066 |
69 |
80 |
|
|
2 |
Σ |
1623 |
1278 |
0.787 |
69 |
81 |
|
|
3 |
Π |
1303 |
674 |
0.517 |
69 |
82 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2908 |
2095 |
0.720 |
70 |
83 |
|
|
2 |
A' |
1259 |
1188 |
0.944 |
70 |
84 |
|
|
3 |
A' |
928 |
986 |
1.062 |
70 |
85 |
H2O |
Water |
1 |
A1 |
2931 |
3657 |
1.248 |
71 |
86 |
|
|
2 |
A1 |
1617 |
1595 |
0.986 |
71 |
87 |
|
|
3 |
B2 |
2972 |
3756 |
1.264 |
71 |
88 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1381 |
1246 |
0.902 |
72 |
89 |
HNO |
Nitrosyl hydride |
1 |
A' |
2968 |
2684 |
0.904 |
73 |
90 |
|
|
2 |
A' |
1522 |
1565 |
1.028 |
73 |
91 |
|
|
3 |
A' |
1222 |
1501 |
1.228 |
73 |
92 |
HO2 |
Hydroperoxy radical |
1 |
A' |
2951 |
3436 |
1.164 |
74 |
93 |
|
|
2 |
A' |
1221 |
1392 |
1.140 |
74 |
94 |
|
|
3 |
A' |
973 |
1098 |
1.128 |
74 |
95 |
CO2 |
Carbon dioxide |
1 |
Σg |
1016 |
1333 |
1.312 |
75 |
96 |
|
|
2 |
Σu |
1945 |
2349 |
1.208 |
75 |
97 |
|
|
3 |
Πu |
638 |
667 |
1.045 |
75 |
98 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2905 |
2615 |
0.900 |
76 |
99 |
|
|
2 |
A1 |
1142 |
1183 |
1.036 |
76 |
100 |
|
|
3 |
B2 |
2908 |
2626 |
0.903 |
76 |
101 |
OCS |
Carbonyl sulfide |
1 |
Σ |
1884 |
2062 |
1.094 |
77 |
102 |
|
|
2 |
Σ |
866 |
859 |
0.992 |
77 |
103 |
|
|
3 |
Π |
534 |
520 |
0.974 |
77 |
104 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1241 |
1151 |
0.928 |
78 |
105 |
|
|
2 |
A1 |
280 |
518 |
1.850 |
78 |
106 |
|
|
3 |
B2 |
1252 |
1362 |
1.087 |
78 |
107 |
CS2 |
Carbon disulfide |
1 |
Σg |
719 |
658 |
0.916 |
79 |
108 |
|
|
2 |
Σu |
1808 |
1535 |
0.849 |
79 |
109 |
|
|
3 |
Πu |
419 |
397 |
0.948 |
79 |
110 |
SSO |
Disulfur monoxide |
1 |
A' |
1246 |
1166 |
0.936 |
80 |
111 |
|
|
2 |
A' |
1020 |
679 |
0.666 |
80 |
112 |
|
|
3 |
A' |
226 |
380 |
1.682 |
80 |
113 |
HOF |
Hypofluorous acid |
1 |
A' |
2952 |
3578 |
1.212 |
81 |
114 |
|
|
2 |
A' |
1216 |
1362 |
1.120 |
81 |
115 |
|
|
3 |
A' |
936 |
893 |
0.954 |
81 |
116 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1855 |
1844 |
0.994 |
82 |
117 |
|
|
2 |
A' |
986 |
766 |
0.777 |
82 |
118 |
|
|
3 |
A' |
421 |
520 |
1.235 |
82 |
119 |
NF2 |
Difluoroamino radical |
1 |
A1 |
902 |
1075 |
1.192 |
83 |
120 |
|
|
2 |
A1 |
397 |
573 |
1.443 |
83 |
121 |
|
|
3 |
B2 |
1148 |
942 |
0.821 |
83 |
122 |
F2O |
Difluorine monoxide |
1 |
A1 |
941 |
928 |
0.986 |
84 |
123 |
|
|
2 |
A1 |
359 |
461 |
1.282 |
84 |
124 |
|
|
3 |
B2 |
1039 |
831 |
0.800 |
84 |
125 |
HOCl |
hypochlorous acid |
1 |
A' |
2951 |
3609 |
1.223 |
85 |
126 |
|
|
2 |
A' |
1189 |
1239 |
1.042 |
85 |
127 |
|
|
3 |
A' |
832 |
724 |
0.870 |
85 |
128 |
ClCN |
chlorocyanogen |
1 |
Σ |
2190 |
2216 |
1.012 |
86 |
129 |
|
|
2 |
Σ |
941 |
744 |
0.791 |
86 |
130 |
|
|
3 |
Π |
546 |
378 |
0.692 |
86 |
131 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1851 |
1800 |
0.972 |
87 |
132 |
|
|
2 |
A' |
886 |
596 |
0.673 |
87 |
133 |
|
|
3 |
A' |
343 |
332 |
0.968 |
87 |
134 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
818 |
639 |
0.782 |
88 |
135 |
|
|
2 |
A1 |
217 |
296 |
1.363 |
88 |
136 |
|
|
3 |
B2 |
939 |
686 |
0.731 |
88 |
137 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
669 |
522 |
0.780 |
89 |
138 |
|
|
2 |
A1 |
183 |
201 |
1.094 |
89 |
139 |
|
|
3 |
B2 |
793 |
509 |
0.642 |
89 |
140 |
ClS2 |
Sulfur chloride |
1 |
A' |
723 |
662 |
0.916 |
90 |
141 |
|
|
2 |
A' |
706 |
450 |
0.638 |
90 |
142 |
|
|
3 |
A' |
159 |
196 |
1.229 |
90 |
143 |
C2H2 |
Acetylene |
1 |
Σg |
3069 |
3374 |
1.099 |
91 |
144 |
|
|
2 |
Σg |
1895 |
1974 |
1.042 |
91 |
145 |
|
|
3 |
Σu |
2980 |
3289 |
1.104 |
91 |
146 |
|
|
4 |
Πg |
1458 |
612 |
0.420 |
91 |
147 |
|
|
5 |
Πu |
1222 |
730 |
0.597 |
91 |
148 |
SiH3 |
Silyl radical |
1 |
A1 |
2879 |
2136 |
0.742 |
92 |
149 |
|
|
2 |
A1 |
900 |
728 |
0.809 |
92 |
150 |
|
|
3 |
E |
2931 |
2185 |
0.746 |
92 |
151 |
|
|
4 |
E |
1385 |
922 |
0.666 |
92 |
152 |
NH3 |
Ammonia |
1 |
A1 |
2907 |
3337 |
1.148 |
93 |
153 |
|
|
2 |
A1 |
1255 |
950 |
0.757 |
93 |
154 |
|
|
3 |
E |
2995 |
3444 |
1.150 |
93 |
155 |
|
|
4 |
E |
1690 |
1627 |
0.963 |
93 |
156 |
C2N2 |
Cyanogen |
1 |
Σg |
2395 |
2330 |
0.973 |
94 |
157 |
|
|
2 |
Σg |
922 |
846 |
0.918 |
94 |
158 |
|
|
3 |
Σu |
1958 |
2158 |
1.102 |
94 |
159 |
|
|
4 |
Πg |
838 |
503 |
0.601 |
94 |
160 |
|
|
5 |
Πu |
373 |
234 |
0.628 |
94 |
161 |
PH3 |
Phosphine |
1 |
A1 |
2903 |
2323 |
0.800 |
95 |
162 |
|
|
2 |
A1 |
1265 |
992 |
0.784 |
95 |
163 |
|
|
3 |
E |
2911 |
2328 |
0.800 |
95 |
164 |
|
|
4 |
E |
1295 |
1118 |
0.863 |
95 |
165 |
P4 |
Phosphorus tetramer |
1 |
A1 |
1032 |
601 |
0.582 |
96 |
166 |
|
|
2 |
E |
552 |
361 |
0.654 |
96 |
167 |
|
|
3 |
T2 |
762 |
467 |
0.613 |
96 |
168 |
H2CO |
Formaldehyde |
1 |
A1 |
2943 |
2782 |
0.945 |
97 |
169 |
|
|
2 |
A1 |
2065 |
1746 |
0.846 |
97 |
170 |
|
|
3 |
A1 |
1432 |
1500 |
1.047 |
97 |
171 |
|
|
4 |
B1 |
1137 |
1167 |
1.027 |
97 |
172 |
|
|
5 |
B2 |
3044 |
2843 |
0.934 |
97 |
173 |
|
|
6 |
B2 |
1261 |
1249 |
0.990 |
97 |
174 |
H2O2 |
Hydrogen peroxide |
1 |
A |
2976 |
3599 |
1.209 |
98 |
175 |
|
|
2 |
A |
1284 |
1402 |
1.092 |
98 |
176 |
|
|
3 |
A |
965 |
877 |
0.909 |
98 |
177 |
|
|
4 |
A |
391 |
371 |
0.948 |
98 |
178 |
|
|
5 |
B |
2950 |
3608 |
1.223 |
98 |
179 |
|
|
6 |
B |
1174 |
1266 |
1.078 |
98 |
180 |
HNCO |
Isocyanic acid |
1 |
A' |
2971 |
3538 |
1.191 |
99 |
181 |
|
|
2 |
A' |
1965 |
2269 |
1.154 |
99 |
182 |
|
|
3 |
A' |
1312 |
1327 |
1.011 |
99 |
183 |
|
|
4 |
A' |
1016 |
777 |
0.764 |
99 |
184 |
|
|
5 |
A' |
593 |
577 |
0.973 |
99 |
185 |
|
|
6 |
A" |
630 |
656 |
1.042 |
99 |
186 |
H2CS |
Thioformaldehyde |
1 |
A1 |
2942 |
2971 |
1.010 |
100 |
187 |
|
|
2 |
A1 |
2053 |
1456 |
0.709 |
100 |
188 |
|
|
3 |
A1 |
1262 |
1059 |
0.839 |
100 |
189 |
|
|
4 |
B1 |
1108 |
990 |
0.894 |
100 |
190 |
|
|
5 |
B2 |
3042 |
3025 |
0.994 |
100 |
191 |
|
|
6 |
B2 |
1193 |
991 |
0.831 |
100 |
192 |
H2S2 |
Disulfane |
1 |
A |
2907 |
2556 |
0.879 |
101 |
193 |
|
|
2 |
A |
852 |
882 |
1.035 |
101 |
194 |
|
|
3 |
A |
684 |
515 |
0.752 |
101 |
195 |
|
|
4 |
A |
235 |
417 |
1.778 |
101 |
196 |
|
|
5 |
B |
2907 |
2559 |
0.880 |
101 |
197 |
|
|
6 |
B |
819 |
878 |
1.073 |
101 |
198 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1688 |
1928 |
1.142 |
102 |
199 |
|
|
2 |
A1 |
737 |
965 |
1.310 |
102 |
200 |
|
|
3 |
A1 |
429 |
584 |
1.362 |
102 |
201 |
|
|
4 |
B1 |
525 |
774 |
1.474 |
102 |
202 |
|
|
5 |
B2 |
1304 |
1249 |
0.958 |
102 |
203 |
|
|
6 |
B2 |
439 |
626 |
1.427 |
102 |
204 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1612 |
1523 |
0.945 |
103 |
205 |
|
|
2 |
Ag |
1029 |
1018 |
0.989 |
103 |
206 |
|
|
3 |
Ag |
406 |
603 |
1.485 |
103 |
207 |
|
|
4 |
Au |
488 |
364 |
0.747 |
103 |
208 |
|
|
5 |
Bu |
1012 |
991 |
0.979 |
103 |
209 |
|
|
6 |
Bu |
315 |
423 |
1.344 |
103 |
210 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
659 |
1089 |
1.652 |
104 |
211 |
|
|
2 |
A1 |
515 |
701 |
1.362 |
104 |
212 |
|
|
3 |
E |
1298 |
1260 |
0.971 |
104 |
213 |
|
|
4 |
E |
413 |
509 |
1.230 |
104 |
214 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
868 |
1032 |
1.188 |
105 |
215 |
|
|
2 |
A1 |
357 |
647 |
1.811 |
105 |
216 |
|
|
3 |
E |
1129 |
907 |
0.803 |
105 |
217 |
|
|
4 |
E |
349 |
492 |
1.411 |
105 |
218 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
836 |
892 |
1.068 |
106 |
219 |
|
|
2 |
A1 |
304 |
487 |
1.600 |
106 |
220 |
|
|
3 |
E |
852 |
860 |
1.010 |
106 |
221 |
|
|
4 |
E |
263 |
344 |
1.309 |
106 |
222 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1451 |
1267 |
0.874 |
107 |
223 |
|
|
2 |
A1 |
763 |
793 |
1.038 |
107 |
224 |
|
|
3 |
A1 |
420 |
364 |
0.866 |
107 |
225 |
|
|
4 |
B1 |
470 |
652 |
1.388 |
107 |
226 |
|
|
5 |
B2 |
1708 |
1684 |
0.986 |
107 |
227 |
|
|
6 |
B2 |
369 |
408 |
1.106 |
107 |
228 |
CCl2O |
Phosgene |
1 |
A1 |
1657 |
1827 |
1.103 |
108 |
229 |
|
|
2 |
A1 |
607 |
567 |
0.934 |
108 |
230 |
|
|
3 |
A1 |
269 |
285 |
1.059 |
108 |
231 |
|
|
4 |
B1 |
437 |
580 |
1.326 |
108 |
232 |
|
|
5 |
B2 |
1222 |
849 |
0.695 |
108 |
233 |
|
|
6 |
B2 |
366 |
440 |
1.203 |
108 |
234 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
704 |
504 |
0.716 |
109 |
235 |
|
|
2 |
A1 |
194 |
252 |
1.299 |
109 |
236 |
|
|
3 |
E |
725 |
482 |
0.665 |
109 |
237 |
|
|
4 |
E |
159 |
198 |
1.246 |
109 |
238 |
CH4 |
Methane |
1 |
A1 |
2862 |
2917 |
1.019 |
110 |
239 |
|
|
2 |
E |
1719 |
1534 |
0.892 |
110 |
240 |
|
|
3 |
T2 |
3028 |
3019 |
0.997 |
110 |
241 |
|
|
4 |
T2 |
1533 |
1306 |
0.852 |
110 |
242 |
SiH4 |
Silane |
1 |
A1 |
2862 |
2187 |
0.764 |
111 |
243 |
|
|
2 |
E |
1491 |
975 |
0.654 |
111 |
244 |
|
|
3 |
T2 |
2931 |
2191 |
0.747 |
111 |
245 |
|
|
4 |
T2 |
1271 |
914 |
0.719 |
111 |
246 |
CH2NH |
Methanimine |
1 |
A' |
3051 |
3263 |
1.069 |
112 |
247 |
|
|
2 |
A' |
2991 |
3024 |
1.011 |
112 |
248 |
|
|
3 |
A' |
2940 |
2914 |
0.991 |
112 |
249 |
|
|
4 |
A' |
2089 |
1638 |
0.784 |
112 |
250 |
|
|
5 |
A' |
1509 |
1452 |
0.962 |
112 |
251 |
|
|
6 |
A' |
1314 |
1344 |
1.023 |
112 |
252 |
|
|
7 |
A' |
1262 |
1058 |
0.839 |
112 |
253 |
|
|
8 |
A" |
1642 |
1127 |
0.686 |
112 |
254 |
|
|
9 |
A" |
1475 |
1061 |
0.719 |
112 |
255 |
CH2CO |
Ketene |
1 |
A1 |
2946 |
3070 |
1.042 |
113 |
256 |
|
|
2 |
A1 |
2126 |
2152 |
1.012 |
113 |
257 |
|
|
3 |
A1 |
1861 |
1388 |
0.746 |
113 |
258 |
|
|
4 |
A1 |
1039 |
1118 |
1.076 |
113 |
259 |
|
|
5 |
B1 |
1159 |
588 |
0.507 |
113 |
260 |
|
|
6 |
B1 |
581 |
528 |
0.908 |
113 |
261 |
|
|
7 |
B2 |
3047 |
3166 |
1.039 |
113 |
262 |
|
|
8 |
B2 |
1297 |
977 |
0.753 |
113 |
263 |
|
|
9 |
B2 |
556 |
433 |
0.778 |
113 |
264 |
HCOOH |
Formic acid |
1 |
A' |
2994 |
3570 |
1.192 |
114 |
265 |
|
|
2 |
A' |
2957 |
2943 |
0.995 |
114 |
266 |
|
|
3 |
A' |
1903 |
1770 |
0.930 |
114 |
267 |
|
|
4 |
A' |
1454 |
1387 |
0.954 |
114 |
268 |
|
|
5 |
A' |
1331 |
1229 |
0.924 |
114 |
269 |
|
|
6 |
A' |
1022 |
1105 |
1.081 |
114 |
270 |
|
|
7 |
A' |
577 |
625 |
1.084 |
114 |
271 |
|
|
8 |
A" |
915 |
1033 |
1.128 |
114 |
272 |
|
|
9 |
A" |
26 |
638 |
24.848 |
114 |
273 |
C3O2 |
Carbon suboxide |
1 |
Σg |
1833 |
2196 |
1.198 |
115 |
274 |
|
|
2 |
Σg |
651 |
786 |
1.207 |
115 |
275 |
|
|
3 |
Σu |
2211 |
2258 |
1.021 |
115 |
276 |
|
|
4 |
Σu |
1283 |
1573 |
1.226 |
115 |
277 |
|
|
5 |
Πg |
585 |
573 |
0.980 |
115 |
278 |
|
|
6 |
Πu |
917 |
550 |
0.599 |
115 |
279 |
|
|
7 |
Πu |
227 |
61 |
0.268 |
115 |
280 |
CH3F |
Methyl fluoride |
1 |
A1 |
2909 |
2930 |
1.007 |
116 |
281 |
|
|
2 |
A1 |
1607 |
1464 |
0.911 |
116 |
282 |
|
|
3 |
A1 |
954 |
1049 |
1.100 |
116 |
283 |
|
|
4 |
E |
3026 |
3006 |
0.993 |
116 |
284 |
|
|
5 |
E |
1650 |
1467 |
0.889 |
116 |
285 |
|
|
6 |
E |
1051 |
1182 |
1.124 |
116 |
286 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
2950 |
2948 |
0.999 |
117 |
287 |
|
|
2 |
A1 |
1644 |
1508 |
0.917 |
117 |
288 |
|
|
3 |
A1 |
950 |
1111 |
1.169 |
117 |
289 |
|
|
4 |
A1 |
377 |
529 |
1.403 |
117 |
290 |
|
|
5 |
A2 |
1235 |
1262 |
1.022 |
117 |
291 |
|
|
6 |
B1 |
3024 |
3014 |
0.997 |
117 |
292 |
|
|
7 |
B1 |
907 |
1178 |
1.298 |
117 |
293 |
|
|
8 |
B2 |
1510 |
1435 |
0.950 |
117 |
294 |
|
|
9 |
B2 |
980 |
1090 |
1.113 |
117 |
295 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
2987 |
3036 |
1.016 |
118 |
296 |
|
|
2 |
A1 |
875 |
1117 |
1.277 |
118 |
297 |
|
|
3 |
A1 |
448 |
700 |
1.562 |
118 |
298 |
|
|
4 |
E |
1432 |
1372 |
0.958 |
118 |
299 |
|
|
5 |
E |
1055 |
1152 |
1.092 |
118 |
300 |
|
|
6 |
E |
343 |
507 |
1.477 |
118 |
301 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
659 |
909 |
1.378 |
119 |
302 |
|
|
2 |
E |
315 |
435 |
1.382 |
119 |
303 |
|
|
3 |
T2 |
1250 |
1283 |
1.027 |
119 |
304 |
|
|
4 |
T2 |
367 |
631 |
1.720 |
119 |
305 |
SiH3F |
monofluorosilane |
1 |
A1 |
2880 |
2206 |
0.766 |
120 |
306 |
|
|
2 |
A1 |
1290 |
990 |
0.767 |
120 |
307 |
|
|
3 |
A1 |
826 |
872 |
1.056 |
120 |
308 |
|
|
4 |
E |
2931 |
2196 |
0.749 |
120 |
309 |
|
|
5 |
E |
1415 |
956 |
0.676 |
120 |
310 |
|
|
6 |
E |
864 |
728 |
0.842 |
120 |
311 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
659 |
800 |
1.214 |
121 |
312 |
|
|
2 |
E |
281 |
268 |
0.955 |
121 |
313 |
|
|
3 |
T2 |
938 |
1032 |
1.101 |
121 |
314 |
|
|
4 |
T2 |
310 |
389 |
1.253 |
121 |
315 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1276 |
1417 |
1.111 |
122 |
316 |
|
|
2 |
A1 |
694 |
873 |
1.258 |
122 |
317 |
|
|
3 |
A1 |
236 |
472 |
1.998 |
122 |
318 |
|
|
4 |
E |
902 |
991 |
1.099 |
122 |
319 |
|
|
5 |
E |
284 |
482 |
1.698 |
122 |
320 |
|
|
6 |
E |
238 |
336 |
1.410 |
122 |
321 |
CH3Cl |
Methyl chloride |
1 |
A1 |
2909 |
2966 |
1.020 |
123 |
322 |
|
|
2 |
A1 |
1601 |
1355 |
0.846 |
123 |
323 |
|
|
3 |
A1 |
856 |
732 |
0.856 |
123 |
324 |
|
|
4 |
E |
3025 |
3042 |
1.006 |
123 |
325 |
|
|
5 |
E |
1652 |
1455 |
0.880 |
123 |
326 |
|
|
6 |
E |
1012 |
1015 |
1.003 |
123 |
327 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2880 |
2201 |
0.764 |
124 |
328 |
|
|
2 |
A1 |
1287 |
949 |
0.737 |
124 |
329 |
|
|
3 |
A1 |
701 |
551 |
0.786 |
124 |
330 |
|
|
4 |
E |
2931 |
2195 |
0.749 |
124 |
331 |
|
|
5 |
E |
1415 |
954 |
0.674 |
124 |
332 |
|
|
6 |
E |
840 |
664 |
0.790 |
124 |
333 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
2950 |
2999 |
1.017 |
125 |
334 |
|
|
2 |
A1 |
1646 |
1467 |
0.891 |
125 |
335 |
|
|
3 |
A1 |
827 |
717 |
0.867 |
125 |
336 |
|
|
4 |
A1 |
233 |
282 |
1.212 |
125 |
337 |
|
|
5 |
A2 |
1222 |
1153 |
0.943 |
125 |
338 |
|
|
6 |
B1 |
3022 |
3040 |
1.006 |
125 |
339 |
|
|
7 |
B1 |
842 |
898 |
1.066 |
125 |
340 |
|
|
8 |
B2 |
1473 |
1268 |
0.861 |
125 |
341 |
|
|
9 |
B2 |
910 |
758 |
0.833 |
125 |
342 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1201 |
1105 |
0.920 |
126 |
343 |
|
|
2 |
A1 |
620 |
781 |
1.261 |
126 |
344 |
|
|
3 |
A1 |
326 |
476 |
1.462 |
126 |
345 |
|
|
4 |
E |
1236 |
1212 |
0.981 |
126 |
346 |
|
|
5 |
E |
349 |
563 |
1.614 |
126 |
347 |
|
|
6 |
E |
268 |
350 |
1.308 |
126 |
348 |
CHCl3 |
Chloroform |
1 |
A1 |
2985 |
3034 |
1.016 |
127 |
349 |
|
|
2 |
A1 |
733 |
680 |
0.928 |
127 |
350 |
|
|
3 |
A1 |
294 |
366 |
1.243 |
127 |
351 |
|
|
4 |
E |
1388 |
1220 |
0.879 |
127 |
352 |
|
|
5 |
E |
984 |
774 |
0.787 |
127 |
353 |
|
|
6 |
E |
205 |
260 |
1.269 |
127 |
354 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1200 |
1101 |
0.918 |
128 |
355 |
|
|
2 |
A1 |
577 |
667 |
1.155 |
128 |
356 |
|
|
3 |
A1 |
328 |
458 |
1.398 |
128 |
357 |
|
|
4 |
A1 |
208 |
262 |
1.262 |
128 |
358 |
|
|
5 |
A2 |
257 |
322 |
1.254 |
128 |
359 |
|
|
6 |
B1 |
1170 |
902 |
0.771 |
128 |
360 |
|
|
7 |
B1 |
299 |
437 |
1.462 |
128 |
361 |
|
|
8 |
B2 |
1222 |
1159 |
0.949 |
128 |
362 |
|
|
9 |
B2 |
294 |
446 |
1.517 |
128 |
363 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1197 |
1085 |
0.906 |
129 |
364 |
|
|
2 |
A1 |
532 |
535 |
1.006 |
129 |
365 |
|
|
3 |
A1 |
250 |
350 |
1.399 |
129 |
366 |
|
|
4 |
E |
1154 |
847 |
0.734 |
129 |
367 |
|
|
5 |
E |
284 |
394 |
1.387 |
129 |
368 |
|
|
6 |
E |
197 |
241 |
1.226 |
129 |
369 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2914 |
2261 |
0.776 |
130 |
370 |
|
|
2 |
A1 |
593 |
499 |
0.842 |
130 |
371 |
|
|
3 |
A1 |
238 |
254 |
1.068 |
130 |
372 |
|
|
4 |
E |
1106 |
811 |
0.734 |
130 |
373 |
|
|
5 |
E |
779 |
600 |
0.771 |
130 |
374 |
|
|
6 |
E |
182 |
176 |
0.968 |
130 |
375 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
486 |
459 |
0.945 |
131 |
376 |
|
|
2 |
E |
181 |
217 |
1.199 |
131 |
377 |
|
|
3 |
T2 |
1138 |
776 |
0.682 |
131 |
378 |
|
|
4 |
T2 |
225 |
314 |
1.398 |
131 |
379 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1270 |
1322 |
1.041 |
132 |
380 |
|
|
2 |
A1 |
540 |
481 |
0.891 |
132 |
381 |
|
|
3 |
A1 |
160 |
266 |
1.665 |
132 |
382 |
|
|
4 |
E |
785 |
590 |
0.752 |
132 |
383 |
|
|
5 |
E |
232 |
333 |
1.435 |
132 |
384 |
|
|
6 |
E |
151 |
187 |
1.236 |
132 |
385 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
486 |
424 |
0.873 |
133 |
386 |
|
|
2 |
E |
165 |
150 |
0.907 |
133 |
387 |
|
|
3 |
T2 |
818 |
621 |
0.759 |
133 |
388 |
|
|
4 |
T2 |
196 |
221 |
1.126 |
133 |
389 |
C2H4 |
Ethylene |
1 |
Ag |
2984 |
3026 |
1.014 |
134 |
390 |
|
|
2 |
Ag |
2163 |
1623 |
0.750 |
134 |
391 |
|
|
3 |
Ag |
1483 |
1342 |
0.905 |
134 |
392 |
|
|
4 |
Au |
1189 |
1023 |
0.861 |
134 |
393 |
|
|
5 |
B1u |
2925 |
2989 |
1.022 |
134 |
394 |
|
|
6 |
B1u |
2011 |
1444 |
0.718 |
134 |
395 |
|
|
7 |
B2g |
1596 |
940 |
0.589 |
134 |
396 |
|
|
8 |
B2u |
3052 |
3105 |
1.017 |
134 |
397 |
|
|
9 |
B2u |
1240 |
826 |
0.666 |
134 |
398 |
|
|
10 |
B3g |
3053 |
3086 |
1.011 |
134 |
399 |
|
|
11 |
B3g |
1365 |
1217 |
0.891 |
134 |
400 |
|
|
12 |
B3u |
1412 |
949 |
0.672 |
134 |
401 |
C3H3 |
Propargyl radical |
1 |
A1 |
3033 |
3322 |
1.095 |
135 |
402 |
|
|
6 |
B1 |
1371 |
687 |
0.501 |
135 |
403 |
|
|
7 |
B1 |
1151 |
490 |
0.426 |
135 |
404 |
N2H4 |
Hydrazine |
1 |
A |
3007 |
3398 |
1.130 |
136 |
405 |
|
|
2 |
A |
2969 |
3329 |
1.121 |
136 |
406 |
|
|
3 |
A |
1731 |
1642 |
0.949 |
136 |
407 |
|
|
4 |
A |
1241 |
1275 |
1.027 |
136 |
408 |
|
|
5 |
A |
1129 |
1076 |
0.953 |
136 |
409 |
|
|
6 |
A |
1007 |
780 |
0.774 |
136 |
410 |
|
|
7 |
A |
426 |
377 |
0.884 |
136 |
411 |
|
|
8 |
B |
3009 |
3350 |
1.114 |
136 |
412 |
|
|
9 |
B |
2930 |
3314 |
1.131 |
136 |
413 |
|
|
10 |
B |
1680 |
1628 |
0.969 |
136 |
414 |
|
|
11 |
B |
1200 |
1275 |
1.063 |
136 |
415 |
|
|
12 |
B |
993 |
966 |
0.973 |
136 |
416 |
CH3CN |
Acetonitrile |
1 |
A1 |
2911 |
2954 |
1.015 |
137 |
417 |
|
|
2 |
A1 |
2081 |
2267 |
1.089 |
137 |
418 |
|
|
3 |
A1 |
1592 |
1385 |
0.870 |
137 |
419 |
|
|
4 |
A1 |
858 |
920 |
1.072 |
137 |
420 |
|
|
5 |
E |
3028 |
3009 |
0.994 |
137 |
421 |
|
|
6 |
E |
1651 |
1448 |
0.877 |
137 |
422 |
|
|
7 |
E |
1101 |
1041 |
0.946 |
137 |
423 |
|
|
8 |
E |
547 |
362 |
0.662 |
137 |
424 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2527 |
2290 |
0.906 |
138 |
425 |
|
|
2 |
Σg |
1982 |
2119 |
1.069 |
138 |
426 |
|
|
3 |
Σg |
635 |
692 |
1.090 |
138 |
427 |
|
|
4 |
Σu |
2250 |
2241 |
0.996 |
138 |
428 |
|
|
5 |
Σu |
1235 |
1154 |
0.934 |
138 |
429 |
|
|
6 |
Πg |
964 |
504 |
0.523 |
138 |
430 |
|
|
7 |
Πg |
427 |
263 |
0.616 |
138 |
431 |
|
|
8 |
Πu |
729 |
472 |
0.647 |
138 |
432 |
|
|
9 |
Πu |
163 |
107 |
0.658 |
138 |
433 |
CH3OH |
Methyl alcohol |
1 |
A' |
3029 |
3681 |
1.215 |
139 |
434 |
|
|
2 |
A' |
2967 |
3000 |
1.011 |
139 |
435 |
|
|
3 |
A' |
2914 |
2844 |
0.976 |
139 |
436 |
|
|
4 |
A' |
1656 |
1477 |
0.892 |
139 |
437 |
|
|
5 |
A' |
1648 |
1455 |
0.883 |
139 |
438 |
|
|
6 |
A' |
1270 |
1345 |
1.059 |
139 |
439 |
|
|
7 |
A' |
1084 |
1060 |
0.978 |
139 |
440 |
|
|
8 |
A' |
1002 |
1033 |
1.031 |
139 |
441 |
|
|
9 |
A" |
3034 |
2960 |
0.976 |
139 |
442 |
|
|
10 |
A" |
1676 |
1477 |
0.881 |
139 |
443 |
|
|
11 |
A" |
1101 |
1165 |
1.058 |
139 |
444 |
|
|
12 |
A" |
471 |
200 |
0.424 |
139 |
445 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3008 |
2843 |
0.945 |
140 |
446 |
|
|
2 |
Ag |
2003 |
1745 |
0.871 |
140 |
447 |
|
|
3 |
Ag |
1426 |
1338 |
0.938 |
140 |
448 |
|
|
4 |
Ag |
1130 |
1065 |
0.942 |
140 |
449 |
|
|
5 |
Ag |
515 |
551 |
1.069 |
140 |
450 |
|
|
6 |
Au |
872 |
801 |
0.919 |
140 |
451 |
|
|
7 |
Au |
126 |
127 |
1.011 |
140 |
452 |
|
|
8 |
Bg |
1012 |
1048 |
1.035 |
140 |
453 |
|
|
9 |
Bu |
2994 |
2835 |
0.947 |
140 |
454 |
|
|
10 |
Bu |
1795 |
1732 |
0.965 |
140 |
455 |
|
|
11 |
Bu |
1464 |
1312 |
0.896 |
140 |
456 |
|
|
12 |
Bu |
462 |
339 |
0.734 |
140 |
457 |
CH3SH |
Methanethiol |
1 |
A' |
3025 |
3000 |
0.992 |
141 |
458 |
|
|
2 |
A' |
2912 |
2931 |
1.007 |
141 |
459 |
|
|
3 |
A' |
2907 |
2597 |
0.893 |
141 |
460 |
|
|
4 |
A' |
1661 |
1475 |
0.888 |
141 |
461 |
|
|
5 |
A' |
1610 |
1335 |
0.829 |
141 |
462 |
|
|
6 |
A' |
1025 |
1074 |
1.048 |
141 |
463 |
|
|
7 |
A' |
895 |
803 |
0.897 |
141 |
464 |
|
|
8 |
A' |
849 |
708 |
0.834 |
141 |
465 |
|
|
9 |
A" |
3026 |
3000 |
0.991 |
141 |
466 |
|
|
10 |
A" |
1667 |
1430 |
0.858 |
141 |
467 |
|
|
11 |
A" |
1026 |
976 |
0.951 |
141 |
468 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3051 |
3115 |
1.021 |
142 |
469 |
|
|
2 |
A' |
3008 |
3080 |
1.024 |
142 |
470 |
|
|
3 |
A' |
2948 |
3052 |
1.035 |
142 |
471 |
|
|
4 |
A' |
2130 |
1654 |
0.777 |
142 |
472 |
|
|
5 |
A' |
1841 |
1380 |
0.749 |
142 |
473 |
|
|
6 |
A' |
1468 |
1306 |
0.890 |
142 |
474 |
|
|
7 |
A' |
1349 |
1156 |
0.857 |
142 |
475 |
|
|
8 |
A' |
955 |
929 |
0.972 |
142 |
476 |
|
|
9 |
A' |
520 |
483 |
0.929 |
142 |
477 |
|
|
10 |
A" |
1539 |
940 |
0.611 |
142 |
478 |
|
|
11 |
A" |
1309 |
863 |
0.659 |
142 |
479 |
|
|
12 |
A" |
794 |
711 |
0.896 |
142 |
480 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
2954 |
3070 |
1.039 |
143 |
481 |
|
|
2 |
A1 |
2129 |
1728 |
0.812 |
143 |
482 |
|
|
3 |
A1 |
1673 |
1360 |
0.813 |
143 |
483 |
|
|
4 |
A1 |
775 |
926 |
1.196 |
143 |
484 |
|
|
5 |
A1 |
449 |
550 |
1.226 |
143 |
485 |
|
|
6 |
A2 |
850 |
714 |
0.840 |
143 |
486 |
|
|
7 |
B1 |
1523 |
803 |
0.527 |
143 |
487 |
|
|
8 |
B1 |
666 |
611 |
0.918 |
143 |
488 |
|
|
9 |
B2 |
3050 |
3154 |
1.034 |
143 |
489 |
|
|
10 |
B2 |
1463 |
1302 |
0.890 |
143 |
490 |
|
|
11 |
B2 |
1143 |
955 |
0.836 |
143 |
491 |
|
|
12 |
B2 |
449 |
438 |
0.975 |
143 |
492 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2081 |
2275 |
1.093 |
144 |
493 |
|
|
2 |
A1 |
1175 |
1227 |
1.045 |
144 |
494 |
|
|
3 |
A1 |
629 |
802 |
1.275 |
144 |
495 |
|
|
4 |
A1 |
347 |
522 |
1.503 |
144 |
496 |
|
|
5 |
E |
1277 |
1214 |
0.950 |
144 |
497 |
|
|
6 |
E |
630 |
618 |
0.981 |
144 |
498 |
|
|
7 |
E |
341 |
463 |
1.357 |
144 |
499 |
|
|
8 |
E |
234 |
196 |
0.838 |
144 |
500 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1859 |
1872 |
1.007 |
145 |
501 |
|
|
2 |
Ag |
628 |
778 |
1.239 |
145 |
502 |
|
|
3 |
Ag |
376 |
394 |
1.049 |
145 |
503 |
|
|
4 |
Au |
210 |
190 |
0.905 |
145 |
504 |
|
|
5 |
B1u |
986 |
1186 |
1.203 |
145 |
505 |
|
|
6 |
B1u |
470 |
558 |
1.186 |
145 |
506 |
|
|
7 |
B2g |
858 |
508 |
0.592 |
145 |
507 |
|
|
8 |
B2u |
1214 |
1337 |
1.101 |
145 |
508 |
|
|
9 |
B2u |
294 |
218 |
0.741 |
145 |
509 |
|
|
10 |
B3g |
1417 |
1340 |
0.946 |
145 |
510 |
|
|
11 |
B3g |
421 |
551 |
1.308 |
145 |
511 |
|
|
12 |
B3u |
488 |
406 |
0.831 |
145 |
512 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
2952 |
3602 |
1.220 |
146 |
513 |
|
|
2 |
A |
1324 |
1486 |
1.122 |
146 |
514 |
|
|
3 |
A |
1214 |
1243 |
1.024 |
146 |
515 |
|
|
4 |
A |
1195 |
1150 |
0.962 |
146 |
516 |
|
|
5 |
A |
895 |
896 |
1.001 |
146 |
517 |
|
|
6 |
A |
748 |
823 |
1.100 |
146 |
518 |
|
|
7 |
A |
271 |
562 |
2.077 |
146 |
519 |
|
|
8 |
A |
265 |
551 |
2.076 |
146 |
520 |
|
|
9 |
A |
226 |
518 |
2.290 |
146 |
521 |
|
|
10 |
A |
222 |
409 |
1.842 |
146 |
522 |
|
|
11 |
A |
211 |
390 |
1.847 |
146 |
523 |
|
|
12 |
A |
127 |
266 |
2.094 |
146 |
524 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3050 |
3121 |
1.023 |
147 |
525 |
|
|
2 |
A' |
3006 |
3086 |
1.026 |
147 |
526 |
|
|
3 |
A' |
2946 |
3030 |
1.028 |
147 |
527 |
|
|
4 |
A' |
2133 |
1608 |
0.754 |
147 |
528 |
|
|
5 |
A' |
1832 |
1368 |
0.747 |
147 |
529 |
|
|
6 |
A' |
1477 |
1279 |
0.866 |
147 |
530 |
|
|
7 |
A' |
1346 |
1030 |
0.765 |
147 |
531 |
|
|
8 |
A' |
858 |
720 |
0.839 |
147 |
532 |
|
|
9 |
A' |
439 |
395 |
0.900 |
147 |
533 |
|
|
10 |
A" |
1537 |
941 |
0.612 |
147 |
534 |
|
|
11 |
A" |
1303 |
896 |
0.688 |
147 |
535 |
|
|
12 |
A" |
753 |
620 |
0.823 |
147 |
536 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
2951 |
3035 |
1.029 |
148 |
537 |
|
|
2 |
A1 |
2140 |
1627 |
0.760 |
148 |
538 |
|
|
3 |
A1 |
1651 |
1400 |
0.848 |
148 |
539 |
|
|
4 |
A1 |
652 |
603 |
0.924 |
148 |
540 |
|
|
5 |
A1 |
284 |
299 |
1.053 |
148 |
541 |
|
|
6 |
A2 |
836 |
686 |
0.821 |
148 |
542 |
|
|
7 |
B1 |
1523 |
875 |
0.574 |
148 |
543 |
|
|
8 |
B1 |
555 |
460 |
0.829 |
148 |
544 |
|
|
9 |
B2 |
3047 |
3130 |
1.027 |
148 |
545 |
|
|
10 |
B2 |
1437 |
1095 |
0.762 |
148 |
546 |
|
|
11 |
B2 |
1092 |
800 |
0.732 |
148 |
547 |
|
|
12 |
B2 |
389 |
372 |
0.956 |
148 |
548 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3015 |
3077 |
1.021 |
149 |
549 |
|
|
2 |
A1 |
1990 |
1587 |
0.798 |
149 |
550 |
|
|
3 |
A1 |
1514 |
1179 |
0.779 |
149 |
551 |
|
|
4 |
A1 |
797 |
711 |
0.892 |
149 |
552 |
|
|
5 |
A1 |
223 |
173 |
0.775 |
149 |
553 |
|
|
6 |
A2 |
1421 |
876 |
0.616 |
149 |
554 |
|
|
7 |
A2 |
461 |
406 |
0.881 |
149 |
555 |
|
|
8 |
B1 |
1026 |
697 |
0.680 |
149 |
556 |
|
|
9 |
B2 |
2986 |
3072 |
1.029 |
149 |
557 |
|
|
10 |
B2 |
1791 |
1303 |
0.728 |
149 |
558 |
|
|
11 |
B2 |
976 |
857 |
0.878 |
149 |
559 |
|
|
12 |
B2 |
521 |
571 |
1.095 |
149 |
560 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3005 |
3073 |
1.022 |
150 |
561 |
|
|
2 |
Ag |
2009 |
1578 |
0.786 |
150 |
562 |
|
|
3 |
Ag |
1481 |
1274 |
0.860 |
150 |
563 |
|
|
4 |
Ag |
980 |
846 |
0.863 |
150 |
564 |
|
|
5 |
Ag |
341 |
350 |
1.027 |
150 |
565 |
|
|
6 |
Au |
1309 |
900 |
0.687 |
150 |
566 |
|
|
7 |
Au |
241 |
227 |
0.940 |
150 |
567 |
|
|
8 |
Bg |
1240 |
763 |
0.616 |
150 |
568 |
|
|
9 |
Bu |
2985 |
3090 |
1.035 |
150 |
569 |
|
|
10 |
Bu |
1737 |
1200 |
0.691 |
150 |
570 |
|
|
11 |
Bu |
935 |
828 |
0.886 |
150 |
571 |
|
|
12 |
Bu |
309 |
250 |
0.809 |
150 |
572 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
2994 |
3082 |
1.029 |
151 |
573 |
|
|
2 |
A' |
1967 |
1586 |
0.806 |
151 |
574 |
|
|
3 |
A' |
1629 |
1247 |
0.766 |
151 |
575 |
|
|
4 |
A' |
1229 |
931 |
0.758 |
151 |
576 |
|
|
5 |
A' |
945 |
840 |
0.889 |
151 |
577 |
|
|
6 |
A' |
660 |
630 |
0.954 |
151 |
578 |
|
|
7 |
A' |
360 |
384 |
1.067 |
151 |
579 |
|
|
8 |
A' |
271 |
277 |
1.022 |
151 |
580 |
|
|
9 |
A' |
221 |
178 |
0.806 |
151 |
581 |
|
|
10 |
A" |
1263 |
780 |
0.617 |
151 |
582 |
|
|
11 |
A" |
591 |
451 |
0.763 |
151 |
583 |
|
|
12 |
A" |
236 |
215 |
0.911 |
151 |
584 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1829 |
1571 |
0.859 |
152 |
585 |
|
|
2 |
Ag |
466 |
447 |
0.959 |
152 |
586 |
|
|
3 |
Ag |
254 |
237 |
0.932 |
152 |
587 |
|
|
4 |
Au |
114 |
110 |
0.964 |
152 |
588 |
|
|
5 |
B1u |
867 |
777 |
0.896 |
152 |
589 |
|
|
6 |
B1u |
291 |
310 |
1.066 |
152 |
590 |
|
|
7 |
B2g |
761 |
512 |
0.673 |
152 |
591 |
|
|
8 |
B2u |
1111 |
908 |
0.817 |
152 |
592 |
|
|
9 |
B2u |
227 |
176 |
0.775 |
152 |
593 |
|
|
10 |
B3g |
1325 |
1000 |
0.755 |
152 |
594 |
|
|
11 |
B3g |
300 |
347 |
1.158 |
152 |
595 |
|
|
12 |
B3u |
369 |
288 |
0.781 |
152 |
596 |
CH3CCH |
propyne |
1 |
A1 |
3029 |
3334 |
1.101 |
153 |
597 |
|
|
2 |
A1 |
2911 |
2918 |
1.002 |
153 |
598 |
|
|
3 |
A1 |
2078 |
2124 |
1.022 |
153 |
599 |
|
|
4 |
A1 |
1594 |
1382 |
0.867 |
153 |
600 |
|
|
5 |
A1 |
868 |
931 |
1.072 |
153 |
601 |
|
|
6 |
E |
3028 |
3008 |
0.993 |
153 |
602 |
|
|
7 |
E |
1651 |
1452 |
0.879 |
153 |
603 |
|
|
8 |
E |
1372 |
1053 |
0.768 |
153 |
604 |
|
|
9 |
E |
1088 |
633 |
0.582 |
153 |
605 |
|
|
10 |
E |
503 |
328 |
0.652 |
153 |
606 |
CH3NH2 |
methyl amine |
1 |
A' |
3034 |
3361 |
1.108 |
154 |
607 |
|
|
2 |
A' |
2953 |
2961 |
1.003 |
154 |
608 |
|
|
3 |
A' |
2913 |
2820 |
0.968 |
154 |
609 |
|
|
4 |
A' |
1730 |
1623 |
0.938 |
154 |
610 |
|
|
5 |
A' |
1675 |
1473 |
0.879 |
154 |
611 |
|
|
6 |
A' |
1629 |
1430 |
0.878 |
154 |
612 |
|
|
7 |
A' |
1126 |
1130 |
1.003 |
154 |
613 |
|
|
8 |
A' |
1061 |
1044 |
0.984 |
154 |
614 |
|
|
9 |
A' |
994 |
780 |
0.785 |
154 |
615 |
|
|
10 |
A" |
3031 |
3427 |
1.131 |
154 |
616 |
|
|
11 |
A" |
3003 |
2985 |
0.994 |
154 |
617 |
|
|
12 |
A" |
1662 |
1485 |
0.894 |
154 |
618 |
|
|
13 |
A" |
1205 |
1335 |
1.108 |
154 |
619 |
|
|
14 |
A" |
1078 |
|
|
154 |
620 |
|
|
15 |
A" |
372 |
268 |
0.721 |
154 |
621 |
C3H3N |
acrylonitrile |
1 |
A' |
3054 |
3125 |
1.023 |
155 |
622 |
|
|
2 |
A' |
3011 |
3078 |
1.022 |
155 |
623 |
|
|
3 |
A' |
2954 |
3042 |
1.030 |
155 |
624 |
|
|
4 |
A' |
2165 |
2239 |
1.034 |
155 |
625 |
|
|
5 |
A' |
2076 |
1615 |
0.778 |
155 |
626 |
|
|
6 |
A' |
1848 |
1416 |
0.766 |
155 |
627 |
|
|
7 |
A' |
1489 |
1282 |
0.861 |
155 |
628 |
|
|
8 |
A' |
1369 |
1096 |
0.801 |
155 |
629 |
|
|
9 |
A' |
914 |
869 |
0.950 |
155 |
630 |
|
|
10 |
A' |
709 |
570 |
0.803 |
155 |
631 |
|
|
11 |
A' |
340 |
242 |
0.712 |
155 |
632 |
|
|
12 |
A" |
1547 |
972 |
0.628 |
155 |
633 |
|
|
13 |
A" |
1316 |
954 |
0.725 |
155 |
634 |
|
|
14 |
A" |
878 |
683 |
0.778 |
155 |
635 |
|
|
15 |
A" |
508 |
362 |
0.712 |
155 |
636 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3031 |
3014 |
0.995 |
156 |
637 |
|
|
2 |
A' |
3001 |
2923 |
0.974 |
156 |
638 |
|
|
3 |
A' |
2915 |
2716 |
0.932 |
156 |
639 |
|
|
4 |
A' |
1899 |
1743 |
0.918 |
156 |
640 |
|
|
5 |
A' |
1675 |
1433 |
0.855 |
156 |
641 |
|
|
6 |
A' |
1631 |
1395 |
0.855 |
156 |
642 |
|
|
7 |
A' |
1436 |
1352 |
0.942 |
156 |
643 |
|
|
8 |
A' |
1153 |
1114 |
0.966 |
156 |
644 |
|
|
9 |
A' |
994 |
867 |
0.872 |
156 |
645 |
|
|
10 |
A' |
537 |
509 |
0.948 |
156 |
646 |
|
|
11 |
A" |
3029 |
2964 |
0.979 |
156 |
647 |
|
|
12 |
A" |
1666 |
1431 |
0.859 |
156 |
648 |
|
|
13 |
A" |
1108 |
1102 |
0.994 |
156 |
649 |
|
|
14 |
A" |
864 |
764 |
0.884 |
156 |
650 |
|
|
15 |
A" |
210 |
150 |
0.714 |
156 |
651 |
C2H4O |
Ethylene oxide |
1 |
A1 |
2945 |
3006 |
1.021 |
157 |
652 |
|
|
2 |
A1 |
1808 |
1467 |
0.812 |
157 |
653 |
|
|
3 |
A1 |
1253 |
1267 |
1.011 |
157 |
654 |
|
|
4 |
A1 |
1014 |
1146 |
1.130 |
157 |
655 |
|
|
5 |
A1 |
400 |
857 |
2.141 |
157 |
656 |
|
|
6 |
A2 |
3051 |
3063 |
1.004 |
157 |
657 |
|
|
7 |
A2 |
1304 |
1050 |
0.805 |
157 |
658 |
|
|
8 |
A2 |
702 |
1020 |
1.452 |
157 |
659 |
|
|
9 |
B1 |
3047 |
3065 |
1.006 |
157 |
660 |
|
|
10 |
B1 |
1222 |
1146 |
0.938 |
157 |
661 |
|
|
11 |
B1 |
778 |
797 |
1.024 |
157 |
662 |
|
|
12 |
B2 |
2926 |
3006 |
1.027 |
157 |
663 |
|
|
13 |
B2 |
1706 |
1459 |
0.855 |
157 |
664 |
|
|
14 |
B2 |
959 |
1159 |
1.208 |
157 |
665 |
|
|
15 |
B2 |
349 |
824 |
2.361 |
157 |
666 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3030 |
3043 |
1.004 |
158 |
667 |
|
|
2 |
A' |
2917 |
2955 |
1.013 |
158 |
668 |
|
|
3 |
A' |
1740 |
1870 |
1.074 |
158 |
669 |
|
|
4 |
A' |
1671 |
1440 |
0.862 |
158 |
670 |
|
|
5 |
A' |
1640 |
1378 |
0.840 |
158 |
671 |
|
|
6 |
A' |
1315 |
1188 |
0.903 |
158 |
672 |
|
|
7 |
A' |
1089 |
1000 |
0.919 |
158 |
673 |
|
|
8 |
A' |
784 |
826 |
1.053 |
158 |
674 |
|
|
9 |
A' |
473 |
598 |
1.263 |
158 |
675 |
|
|
10 |
A' |
435 |
420 |
0.966 |
158 |
676 |
|
|
11 |
A" |
3029 |
3004 |
0.992 |
158 |
677 |
|
|
12 |
A" |
1679 |
1437 |
0.856 |
158 |
678 |
|
|
13 |
A" |
1103 |
1054 |
0.955 |
158 |
679 |
|
|
14 |
A" |
527 |
567 |
1.076 |
158 |
680 |
|
|
15 |
A" |
269 |
123 |
0.457 |
158 |
681 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3029 |
3027 |
0.999 |
159 |
682 |
|
|
2 |
A' |
2916 |
2948 |
1.011 |
159 |
683 |
|
|
3 |
A' |
1733 |
1818 |
1.049 |
159 |
684 |
|
|
4 |
A' |
1668 |
1415 |
0.848 |
159 |
685 |
|
|
5 |
A' |
1636 |
1368 |
0.836 |
159 |
686 |
|
|
6 |
A' |
1289 |
1108 |
0.859 |
159 |
687 |
|
|
7 |
A' |
1084 |
956 |
0.882 |
159 |
688 |
|
|
8 |
A' |
731 |
604 |
0.826 |
159 |
689 |
|
|
9 |
A' |
422 |
445 |
1.054 |
159 |
690 |
|
|
10 |
A' |
361 |
348 |
0.965 |
159 |
691 |
|
|
11 |
A" |
3029 |
2990 |
0.987 |
159 |
692 |
|
|
12 |
A" |
1682 |
1431 |
0.851 |
159 |
693 |
|
|
13 |
A" |
1102 |
1032 |
0.937 |
159 |
694 |
|
|
14 |
A" |
485 |
518 |
1.069 |
159 |
695 |
|
|
15 |
A" |
272 |
166 |
0.610 |
159 |
696 |
C2H6 |
Ethane |
1 |
A1g |
2929 |
2954 |
1.008 |
160 |
697 |
|
|
2 |
A1g |
1707 |
1388 |
0.813 |
160 |
698 |
|
|
3 |
A1g |
1021 |
995 |
0.974 |
160 |
699 |
|
|
4 |
A1u |
310 |
289 |
0.933 |
160 |
700 |
|
|
5 |
A2u |
2904 |
2896 |
0.997 |
160 |
701 |
|
|
6 |
A2u |
1570 |
1379 |
0.878 |
160 |
702 |
|
|
7 |
Eg |
3031 |
2969 |
0.979 |
160 |
703 |
|
|
8 |
Eg |
1666 |
1468 |
0.881 |
160 |
704 |
|
|
9 |
Eg |
1144 |
1190 |
1.040 |
160 |
705 |
|
|
10 |
Eu |
3030 |
2985 |
0.985 |
160 |
706 |
|
|
11 |
Eu |
1670 |
1469 |
0.880 |
160 |
707 |
|
|
12 |
Eu |
1019 |
822 |
0.806 |
160 |
708 |
CH3SiH3 |
methyl silane |
1 |
A1 |
2911 |
2898 |
0.996 |
161 |
709 |
|
|
2 |
A1 |
2882 |
2166 |
0.752 |
161 |
710 |
|
|
3 |
A1 |
1614 |
1260 |
0.781 |
161 |
711 |
|
|
4 |
A1 |
1298 |
940 |
0.724 |
161 |
712 |
|
|
5 |
A1 |
872 |
700 |
0.803 |
161 |
713 |
|
|
6 |
A2 |
257 |
187 |
0.728 |
161 |
714 |
|
|
7 |
E |
3027 |
2982 |
0.985 |
161 |
715 |
|
|
8 |
E |
2933 |
2169 |
0.740 |
161 |
716 |
|
|
9 |
E |
1664 |
1403 |
0.843 |
161 |
717 |
|
|
10 |
E |
1425 |
980 |
0.688 |
161 |
718 |
|
|
11 |
E |
1048 |
868 |
0.828 |
161 |
719 |
|
|
12 |
E |
857 |
540 |
0.630 |
161 |
720 |
Si2H6 |
disilane |
1 |
A1g |
2882 |
2152 |
0.747 |
162 |
721 |
|
|
2 |
A1g |
1307 |
909 |
0.695 |
162 |
722 |
|
|
3 |
A1g |
716 |
434 |
0.607 |
162 |
723 |
|
|
4 |
A1u |
229 |
131 |
0.573 |
162 |
724 |
|
|
5 |
A2u |
2879 |
2154 |
0.748 |
162 |
725 |
|
|
6 |
A2u |
1275 |
844 |
0.662 |
162 |
726 |
|
|
7 |
Eg |
2932 |
2155 |
0.735 |
162 |
727 |
|
|
8 |
Eg |
1420 |
929 |
0.655 |
162 |
728 |
|
|
9 |
Eg |
885 |
625 |
0.706 |
162 |
729 |
|
|
10 |
Eu |
2931 |
2179 |
0.743 |
162 |
730 |
|
|
11 |
Eu |
1427 |
940 |
0.658 |
162 |
731 |
|
|
12 |
Eu |
814 |
379 |
0.466 |
162 |
732 |
C3H3NO |
Isoxazole |
1 |
A' |
3020 |
3160 |
1.046 |
163 |
733 |
|
|
2 |
A' |
3009 |
3128 |
1.040 |
163 |
734 |
|
|
3 |
A' |
2997 |
3086 |
1.030 |
163 |
735 |
|
|
4 |
A' |
1938 |
1561 |
0.806 |
163 |
736 |
|
|
5 |
A' |
1855 |
1433 |
0.772 |
163 |
737 |
|
|
6 |
A' |
1665 |
1371 |
0.823 |
163 |
738 |
|
|
7 |
A' |
1416 |
1218 |
0.860 |
163 |
739 |
|
|
8 |
A' |
1304 |
1130 |
0.867 |
163 |
740 |
|
|
9 |
A' |
1256 |
1096 |
0.872 |
163 |
741 |
|
|
10 |
A' |
1117 |
1024 |
0.917 |
163 |
742 |
|
|
11 |
A' |
967 |
920 |
0.951 |
163 |
743 |
|
|
12 |
A' |
712 |
900 |
1.264 |
163 |
744 |
|
|
13 |
A' |
656 |
857 |
1.306 |
163 |
745 |
|
|
14 |
A" |
1231 |
890 |
0.723 |
163 |
746 |
|
|
15 |
A" |
924 |
866 |
0.937 |
163 |
747 |
|
|
16 |
A" |
830 |
765 |
0.922 |
163 |
748 |
|
|
17 |
A" |
413 |
631 |
1.525 |
163 |
749 |
|
|
18 |
A" |
278 |
592 |
2.132 |
163 |
750 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
2918 |
2974 |
1.019 |
164 |
751 |
|
|
2 |
A1 |
1674 |
1412 |
0.843 |
164 |
752 |
|
|
3 |
A1 |
1252 |
1278 |
1.021 |
164 |
753 |
|
|
4 |
A1 |
697 |
828 |
1.187 |
164 |
754 |
|
|
5 |
A1 |
406 |
606 |
1.493 |
164 |
755 |
|
|
6 |
A2 |
256 |
225 |
0.880 |
164 |
756 |
|
|
7 |
E |
3030 |
3042 |
1.004 |
164 |
757 |
|
|
8 |
E |
1674 |
1450 |
0.866 |
164 |
758 |
|
|
9 |
E |
1304 |
1230 |
0.943 |
164 |
759 |
|
|
10 |
E |
1030 |
964 |
0.936 |
164 |
760 |
|
|
11 |
E |
372 |
540 |
1.450 |
164 |
761 |
|
|
12 |
E |
323 |
365 |
1.130 |
164 |
762 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3030 |
2967 |
0.979 |
165 |
763 |
|
|
2 |
A' |
2959 |
2946 |
0.996 |
165 |
764 |
|
|
3 |
A' |
2914 |
2881 |
0.989 |
165 |
765 |
|
|
4 |
A' |
1697 |
1463 |
0.862 |
165 |
766 |
|
|
5 |
A' |
1667 |
1448 |
0.869 |
165 |
767 |
|
|
6 |
A' |
1645 |
1385 |
0.842 |
165 |
768 |
|
|
7 |
A' |
1501 |
1289 |
0.859 |
165 |
769 |
|
|
8 |
A' |
1113 |
1081 |
0.971 |
165 |
770 |
|
|
9 |
A' |
1037 |
974 |
0.939 |
165 |
771 |
|
|
10 |
A' |
825 |
677 |
0.820 |
165 |
772 |
|
|
11 |
A' |
334 |
336 |
1.005 |
165 |
773 |
|
|
12 |
A" |
3030 |
3014 |
0.995 |
165 |
774 |
|
|
13 |
A" |
3027 |
2986 |
0.986 |
165 |
775 |
|
|
14 |
A" |
1676 |
1448 |
0.864 |
165 |
776 |
|
|
15 |
A" |
1278 |
1251 |
0.979 |
165 |
777 |
|
|
16 |
A" |
1106 |
974 |
0.881 |
165 |
778 |
|
|
17 |
A" |
865 |
786 |
0.909 |
165 |
779 |
|
|
18 |
A" |
257 |
251 |
0.978 |
165 |
780 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
2963 |
2957 |
0.998 |
166 |
781 |
|
|
2 |
Ag |
1683 |
1445 |
0.859 |
166 |
782 |
|
|
3 |
Ag |
1613 |
1304 |
0.809 |
166 |
783 |
|
|
4 |
Ag |
1050 |
1052 |
1.002 |
166 |
784 |
|
|
5 |
Ag |
904 |
754 |
0.834 |
166 |
785 |
|
|
6 |
Ag |
275 |
300 |
1.090 |
166 |
786 |
|
|
7 |
Au |
3026 |
3005 |
0.993 |
166 |
787 |
|
|
8 |
Au |
1296 |
1123 |
0.866 |
166 |
788 |
|
|
9 |
Au |
828 |
773 |
0.933 |
166 |
789 |
|
|
10 |
Au |
116 |
123 |
1.061 |
166 |
790 |
|
|
11 |
Bg |
3027 |
3005 |
0.993 |
166 |
791 |
|
|
12 |
Bg |
1296 |
1264 |
0.975 |
166 |
792 |
|
|
13 |
Bg |
940 |
989 |
1.052 |
166 |
793 |
|
|
14 |
Bu |
2948 |
2983 |
1.012 |
166 |
794 |
|
|
15 |
Bu |
1656 |
1461 |
0.882 |
166 |
795 |
|
|
16 |
Bu |
1435 |
1232 |
0.859 |
166 |
796 |
|
|
17 |
Bu |
890 |
728 |
0.818 |
166 |
797 |
|
|
18 |
Bu |
250 |
222 |
0.888 |
166 |
798 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
2917 |
2951 |
1.012 |
167 |
799 |
|
|
2 |
A1 |
1685 |
1386 |
0.822 |
167 |
800 |
|
|
3 |
A1 |
1213 |
1075 |
0.886 |
167 |
801 |
|
|
4 |
A1 |
585 |
526 |
0.899 |
167 |
802 |
|
|
5 |
A1 |
277 |
344 |
1.241 |
167 |
803 |
|
|
6 |
A2 |
290 |
214 |
0.738 |
167 |
804 |
|
|
7 |
E |
3028 |
3014 |
0.995 |
167 |
805 |
|
|
8 |
E |
1680 |
1457 |
0.867 |
167 |
806 |
|
|
9 |
E |
1240 |
1088 |
0.877 |
167 |
807 |
|
|
10 |
E |
1000 |
724 |
0.724 |
167 |
808 |
|
|
11 |
E |
304 |
351 |
1.155 |
167 |
809 |
|
|
12 |
E |
201 |
239 |
1.190 |
167 |
810 |
C3H6 |
Cyclopropane |
1 |
A1' |
2958 |
3038 |
1.027 |
168 |
811 |
|
|
2 |
A1' |
1857 |
1479 |
0.796 |
168 |
812 |
|
|
3 |
A1' |
1275 |
1188 |
0.932 |
168 |
813 |
|
|
4 |
A1" |
697 |
1126 |
1.617 |
168 |
814 |
|
|
5 |
A2' |
432 |
1070 |
2.478 |
168 |
815 |
|
|
6 |
A2" |
3047 |
3103 |
1.018 |
168 |
816 |
|
|
7 |
A2" |
1177 |
854 |
0.725 |
168 |
817 |
|
|
8 |
E' |
2929 |
3025 |
1.033 |
168 |
818 |
|
|
9 |
E' |
1718 |
1438 |
0.837 |
168 |
819 |
|
|
10 |
E' |
1025 |
1029 |
1.004 |
168 |
820 |
|
|
11 |
E' |
491 |
866 |
1.765 |
168 |
821 |
|
|
12 |
E" |
3053 |
3082 |
1.010 |
168 |
822 |
|
|
13 |
E" |
1308 |
1188 |
0.908 |
168 |
823 |
|
|
14 |
E" |
804 |
739 |
0.919 |
168 |
824 |
CH2CHCH3 |
Propene |
1 |
A' |
3051 |
3090 |
1.013 |
169 |
825 |
|
|
2 |
A' |
3030 |
3013 |
0.994 |
169 |
826 |
|
|
3 |
A' |
3015 |
2991 |
0.992 |
169 |
827 |
|
|
4 |
A' |
2949 |
2954 |
1.002 |
169 |
828 |
|
|
5 |
A' |
2916 |
2871 |
0.984 |
169 |
829 |
|
|
6 |
A' |
2151 |
1650 |
0.767 |
169 |
830 |
|
|
7 |
A' |
1897 |
1470 |
0.775 |
169 |
831 |
|
|
8 |
A' |
1695 |
1420 |
0.838 |
169 |
832 |
|
|
9 |
A' |
1639 |
1378 |
0.841 |
169 |
833 |
|
|
10 |
A' |
1509 |
1297 |
0.859 |
169 |
834 |
|
|
11 |
A' |
1373 |
1171 |
0.853 |
169 |
835 |
|
|
12 |
A' |
1154 |
963 |
0.834 |
169 |
836 |
|
|
13 |
A' |
972 |
920 |
0.946 |
169 |
837 |
|
|
14 |
A' |
576 |
428 |
0.743 |
169 |
838 |
|
|
15 |
A" |
3030 |
2954 |
0.975 |
169 |
839 |
|
|
16 |
A" |
1667 |
1443 |
0.866 |
169 |
840 |
|
|
17 |
A" |
1545 |
1045 |
0.676 |
169 |
841 |
|
|
18 |
A" |
1314 |
991 |
0.754 |
169 |
842 |
|
|
19 |
A" |
1089 |
912 |
0.837 |
169 |
843 |
|
|
20 |
A" |
763 |
578 |
0.758 |
169 |
844 |
|
|
21 |
A" |
186 |
174 |
0.937 |
169 |
845 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3021 |
3523 |
1.166 |
170 |
846 |
|
|
2 |
A' |
3013 |
3155 |
1.047 |
170 |
847 |
|
|
3 |
A' |
3001 |
3137 |
1.045 |
170 |
848 |
|
|
4 |
A' |
2989 |
3126 |
1.046 |
170 |
849 |
|
|
5 |
A' |
1958 |
1531 |
0.782 |
170 |
850 |
|
|
6 |
A' |
1919 |
1447 |
0.754 |
170 |
851 |
|
|
7 |
A' |
1825 |
1395 |
0.764 |
170 |
852 |
|
|
8 |
A' |
1689 |
1358 |
0.804 |
170 |
853 |
|
|
9 |
A' |
1479 |
1254 |
0.848 |
170 |
854 |
|
|
10 |
A' |
1313 |
1159 |
0.883 |
170 |
855 |
|
|
11 |
A' |
1300 |
1121 |
0.862 |
170 |
856 |
|
|
12 |
A' |
1237 |
1054 |
0.852 |
170 |
857 |
|
|
13 |
A' |
1203 |
1009 |
0.839 |
170 |
858 |
|
|
14 |
A' |
738 |
924 |
1.252 |
170 |
859 |
|
|
15 |
A' |
731 |
908 |
1.243 |
170 |
860 |
|
|
16 |
A" |
1471 |
879 |
0.598 |
170 |
861 |
|
|
17 |
A" |
1281 |
833 |
0.650 |
170 |
862 |
|
|
18 |
A" |
1032 |
745 |
0.722 |
170 |
863 |
|
|
19 |
A" |
946 |
674 |
0.713 |
170 |
864 |
|
|
20 |
A" |
527 |
623 |
1.182 |
170 |
865 |
|
|
21 |
A" |
409 |
516 |
1.262 |
170 |
866 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3021 |
3517 |
1.164 |
171 |
867 |
|
|
2 |
A' |
3016 |
3143 |
1.042 |
171 |
868 |
|
|
3 |
A' |
3002 |
3123 |
1.040 |
171 |
869 |
|
|
4 |
A' |
2988 |
3110 |
1.041 |
171 |
870 |
|
|
5 |
A' |
1908 |
1448 |
0.759 |
171 |
871 |
|
|
6 |
A' |
1885 |
1404 |
0.745 |
171 |
872 |
|
|
7 |
A' |
1690 |
1328 |
0.786 |
171 |
873 |
|
|
8 |
A' |
1629 |
1265 |
0.777 |
171 |
874 |
|
|
9 |
A' |
1421 |
1188 |
0.836 |
171 |
875 |
|
|
10 |
A' |
1348 |
1098 |
0.814 |
171 |
876 |
|
|
11 |
A' |
1285 |
1062 |
0.826 |
171 |
877 |
|
|
12 |
A' |
1057 |
1013 |
0.958 |
171 |
878 |
|
|
13 |
A' |
1037 |
988 |
0.953 |
171 |
879 |
|
|
14 |
A' |
747 |
923 |
1.235 |
171 |
880 |
|
|
15 |
A' |
725 |
898 |
1.239 |
171 |
881 |
|
|
16 |
A" |
1536 |
831 |
0.541 |
171 |
882 |
|
|
17 |
A" |
1278 |
758 |
0.593 |
171 |
883 |
|
|
18 |
A" |
1087 |
674 |
0.620 |
171 |
884 |
|
|
19 |
A" |
937 |
663 |
0.708 |
171 |
885 |
|
|
20 |
A" |
545 |
621 |
1.139 |
171 |
886 |
|
|
21 |
A" |
446 |
539 |
1.210 |
171 |
887 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3028 |
2996 |
0.989 |
172 |
888 |
|
|
2 |
A1 |
2914 |
2817 |
0.967 |
172 |
889 |
|
|
3 |
A1 |
1657 |
1464 |
0.883 |
172 |
890 |
|
|
4 |
A1 |
1650 |
1452 |
0.880 |
172 |
891 |
|
|
5 |
A1 |
1151 |
1244 |
1.081 |
172 |
892 |
|
|
6 |
A1 |
877 |
928 |
1.058 |
172 |
893 |
|
|
7 |
A1 |
452 |
418 |
0.925 |
172 |
894 |
|
|
8 |
A2 |
3029 |
2952 |
0.974 |
172 |
895 |
|
|
9 |
A2 |
1680 |
1464 |
0.871 |
172 |
896 |
|
|
10 |
A2 |
1086 |
1150 |
1.059 |
172 |
897 |
|
|
11 |
A2 |
217 |
203 |
0.937 |
172 |
898 |
|
|
12 |
B1 |
3032 |
2925 |
0.965 |
172 |
899 |
|
|
13 |
B1 |
1698 |
1464 |
0.862 |
172 |
900 |
|
|
14 |
B1 |
1133 |
1179 |
1.041 |
172 |
901 |
|
|
15 |
B1 |
315 |
242 |
0.769 |
172 |
902 |
|
|
16 |
B2 |
3024 |
2996 |
0.991 |
172 |
903 |
|
|
17 |
B2 |
2917 |
2817 |
0.966 |
172 |
904 |
|
|
18 |
B2 |
1669 |
1464 |
0.877 |
172 |
905 |
|
|
19 |
B2 |
1653 |
1452 |
0.878 |
172 |
906 |
|
|
20 |
B2 |
1127 |
1227 |
1.089 |
172 |
907 |
|
|
21 |
B2 |
1031 |
1102 |
1.069 |
172 |
908 |
C4H4O |
Furan |
1 |
A1 |
3019 |
3161 |
1.047 |
173 |
909 |
|
|
2 |
A1 |
3004 |
3140 |
1.045 |
173 |
910 |
|
|
3 |
A1 |
1942 |
1491 |
0.768 |
173 |
911 |
|
|
4 |
A1 |
1704 |
1384 |
0.812 |
173 |
912 |
|
|
5 |
A1 |
1355 |
1140 |
0.841 |
173 |
913 |
|
|
6 |
A1 |
1255 |
1066 |
0.849 |
173 |
914 |
|
|
7 |
A1 |
1063 |
995 |
0.936 |
173 |
915 |
|
|
8 |
A1 |
665 |
871 |
1.309 |
173 |
916 |
|
|
9 |
A2 |
1007 |
838 |
0.832 |
173 |
917 |
|
|
10 |
A2 |
786 |
728 |
0.926 |
173 |
918 |
|
|
11 |
A2 |
297 |
603 |
2.030 |
173 |
919 |
|
|
12 |
B1 |
878 |
863 |
0.983 |
173 |
920 |
|
|
13 |
B1 |
738 |
745 |
1.009 |
173 |
921 |
|
|
14 |
B1 |
221 |
613 |
2.778 |
173 |
922 |
|
|
15 |
B2 |
3018 |
3154 |
1.045 |
173 |
923 |
|
|
16 |
B2 |
3000 |
3129 |
1.043 |
173 |
924 |
|
|
17 |
B2 |
1957 |
1556 |
0.795 |
173 |
925 |
|
|
18 |
B2 |
1685 |
1267 |
0.752 |
173 |
926 |
|
|
19 |
B2 |
1447 |
1180 |
0.815 |
173 |
927 |
|
|
20 |
B2 |
1272 |
1040 |
0.818 |
173 |
928 |
|
|
21 |
B2 |
762 |
873 |
1.145 |
173 |
929 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
2975 |
3001 |
1.009 |
174 |
930 |
|
|
2 |
A' |
2947 |
2935 |
0.996 |
174 |
931 |
|
|
3 |
A' |
1888 |
1882 |
0.997 |
174 |
932 |
|
|
4 |
A' |
1749 |
1475 |
0.843 |
174 |
933 |
|
|
5 |
A' |
1677 |
1427 |
0.851 |
174 |
934 |
|
|
6 |
A' |
1493 |
1319 |
0.884 |
174 |
935 |
|
|
7 |
A' |
1326 |
1199 |
0.904 |
174 |
936 |
|
|
8 |
A' |
1186 |
1093 |
0.922 |
174 |
937 |
|
|
9 |
A' |
1021 |
1005 |
0.984 |
174 |
938 |
|
|
10 |
A' |
967 |
924 |
0.955 |
174 |
939 |
|
|
11 |
A' |
855 |
891 |
1.042 |
174 |
940 |
|
|
12 |
A' |
578 |
746 |
1.291 |
174 |
941 |
|
|
13 |
A' |
385 |
513 |
1.332 |
174 |
942 |
|
|
14 |
A" |
3053 |
3028 |
0.992 |
174 |
943 |
|
|
15 |
A" |
3044 |
3000 |
0.986 |
174 |
944 |
|
|
16 |
A" |
1190 |
1184 |
0.995 |
174 |
945 |
|
|
17 |
A" |
1108 |
1139 |
1.028 |
174 |
946 |
|
|
18 |
A" |
1042 |
1046 |
1.004 |
174 |
947 |
|
|
19 |
A" |
1011 |
790 |
0.782 |
174 |
948 |
|
|
20 |
A" |
483 |
490 |
1.014 |
174 |
949 |
|
|
21 |
A" |
213 |
113 |
0.530 |
174 |
950 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3030 |
2966 |
0.979 |
175 |
951 |
|
|
2 |
A' |
2961 |
2872 |
0.970 |
175 |
952 |
|
|
3 |
A' |
2915 |
2872 |
0.985 |
175 |
953 |
|
|
4 |
A' |
2908 |
2580 |
0.887 |
175 |
954 |
|
|
5 |
A' |
1704 |
1453 |
0.853 |
175 |
955 |
|
|
6 |
A' |
1667 |
1453 |
0.872 |
175 |
956 |
|
|
7 |
A' |
1651 |
1385 |
0.839 |
175 |
957 |
|
|
8 |
A' |
1511 |
1309 |
0.866 |
175 |
958 |
|
|
9 |
A' |
1118 |
1097 |
0.981 |
175 |
959 |
|
|
10 |
A' |
1057 |
978 |
0.925 |
175 |
960 |
|
|
11 |
A' |
896 |
870 |
0.971 |
175 |
961 |
|
|
12 |
A' |
803 |
660 |
0.822 |
175 |
962 |
|
|
13 |
A' |
339 |
332 |
0.981 |
175 |
963 |
|
|
14 |
A" |
3031 |
2966 |
0.979 |
175 |
964 |
|
|
15 |
A" |
3028 |
2930 |
0.968 |
175 |
965 |
|
|
16 |
A" |
1678 |
1453 |
0.866 |
175 |
966 |
|
|
17 |
A" |
1301 |
1269 |
0.976 |
175 |
967 |
|
|
18 |
A" |
1109 |
1049 |
0.946 |
175 |
968 |
|
|
19 |
A" |
879 |
745 |
0.848 |
175 |
969 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3026 |
2997 |
0.991 |
176 |
970 |
|
|
2 |
A1 |
2910 |
2925 |
1.005 |
176 |
971 |
|
|
3 |
A1 |
1662 |
1447 |
0.871 |
176 |
972 |
|
|
4 |
A1 |
1623 |
1337 |
0.824 |
176 |
973 |
|
|
5 |
A1 |
1049 |
1030 |
0.981 |
176 |
974 |
|
|
6 |
A1 |
853 |
695 |
0.815 |
176 |
975 |
|
|
7 |
A1 |
320 |
280 |
0.874 |
176 |
976 |
|
|
8 |
A2 |
3025 |
2970 |
0.982 |
176 |
977 |
|
|
9 |
A2 |
1673 |
1427 |
0.853 |
176 |
978 |
|
|
10 |
A2 |
1026 |
946 |
0.922 |
176 |
979 |
|
|
11 |
A2 |
212 |
175 |
0.824 |
176 |
980 |
|
|
12 |
B1 |
3026 |
2970 |
0.981 |
176 |
981 |
|
|
13 |
B1 |
1683 |
1439 |
0.855 |
176 |
982 |
|
|
14 |
B1 |
1048 |
973 |
0.928 |
176 |
983 |
|
|
15 |
B1 |
260 |
183 |
0.705 |
176 |
984 |
|
|
16 |
B2 |
3023 |
2999 |
0.992 |
176 |
985 |
|
|
17 |
B2 |
2911 |
2919 |
1.003 |
176 |
986 |
|
|
18 |
B2 |
1660 |
1442 |
0.869 |
176 |
987 |
|
|
19 |
B2 |
1623 |
1315 |
0.810 |
176 |
988 |
|
|
20 |
B2 |
1031 |
903 |
0.876 |
176 |
989 |
|
|
21 |
B2 |
882 |
742 |
0.842 |
176 |
990 |
C4H4S |
Thiophene |
1 |
A1 |
3020 |
3126 |
1.035 |
177 |
991 |
|
|
2 |
A1 |
2999 |
3098 |
1.033 |
177 |
992 |
|
|
3 |
A1 |
1889 |
1409 |
0.746 |
177 |
993 |
|
|
4 |
A1 |
1718 |
1360 |
0.792 |
177 |
994 |
|
|
5 |
A1 |
1432 |
1083 |
0.756 |
177 |
995 |
|
|
6 |
A1 |
1062 |
1036 |
0.975 |
177 |
996 |
|
|
7 |
A1 |
901 |
872 |
0.968 |
177 |
997 |
|
|
8 |
A1 |
506 |
608 |
1.201 |
177 |
998 |
|
|
9 |
A2 |
1521 |
867 |
0.570 |
177 |
999 |
|
|
10 |
A2 |
1106 |
688 |
0.622 |
177 |
1000 |
|
|
11 |
A2 |
556 |
567 |
1.020 |
177 |
1001 |
|
|
12 |
B1 |
1471 |
839 |
0.570 |
177 |
1002 |
|
|
13 |
B1 |
1015 |
712 |
0.702 |
177 |
1003 |
|
|
14 |
B1 |
357 |
452 |
1.266 |
177 |
1004 |
|
|
15 |
B2 |
3017 |
3125 |
1.036 |
177 |
1005 |
|
|
16 |
B2 |
2994 |
3086 |
1.031 |
177 |
1006 |
|
|
17 |
B2 |
1924 |
1504 |
0.782 |
177 |
1007 |
|
|
18 |
B2 |
1660 |
1256 |
0.757 |
177 |
1008 |
|
|
19 |
B2 |
1369 |
1085 |
0.793 |
177 |
1009 |
|
|
20 |
B2 |
980 |
903 |
0.921 |
177 |
1010 |
|
|
21 |
B2 |
712 |
751 |
1.055 |
177 |
1011 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
2912 |
2916 |
1.001 |
178 |
1012 |
|
|
2 |
A1' |
2223 |
2240 |
1.007 |
178 |
1013 |
|
|
3 |
A1' |
1586 |
1380 |
0.870 |
178 |
1014 |
|
|
4 |
A1' |
670 |
725 |
1.082 |
178 |
1015 |
|
|
6 |
A2" |
2911 |
2938 |
1.009 |
178 |
1016 |
|
|
7 |
A2" |
1623 |
1382 |
0.851 |
178 |
1017 |
|
|
8 |
A2" |
1071 |
1152 |
1.075 |
178 |
1018 |
|
|
9 |
E' |
3028 |
2973 |
0.982 |
178 |
1019 |
|
|
10 |
E' |
1651 |
1456 |
0.882 |
178 |
1020 |
|
|
11 |
E' |
1084 |
1054 |
0.972 |
178 |
1021 |
|
|
12 |
E' |
274 |
213 |
0.779 |
178 |
1022 |
|
|
13 |
E" |
3028 |
2966 |
0.979 |
178 |
1023 |
|
|
14 |
E" |
1651 |
1448 |
0.877 |
178 |
1024 |
|
|
15 |
E" |
1134 |
1029 |
0.907 |
178 |
1025 |
|
|
16 |
E" |
696 |
371 |
0.533 |
178 |
1026 |
C4H6 |
Cyclobutene |
1 |
A1 |
3023 |
3060 |
1.012 |
179 |
1027 |
|
|
2 |
A1 |
2970 |
2935 |
0.988 |
179 |
1028 |
|
|
3 |
A1 |
1768 |
1570 |
0.888 |
179 |
1029 |
|
|
4 |
A1 |
1740 |
1450 |
0.833 |
179 |
1030 |
|
|
5 |
A1 |
1300 |
1276 |
0.982 |
179 |
1031 |
|
|
6 |
A1 |
1205 |
1186 |
0.984 |
179 |
1032 |
|
|
7 |
A1 |
1082 |
1113 |
1.029 |
179 |
1033 |
|
|
8 |
A1 |
895 |
886 |
0.990 |
179 |
1034 |
|
|
9 |
A2 |
3053 |
2955 |
0.968 |
179 |
1035 |
|
|
10 |
A2 |
1600 |
1276 |
0.797 |
179 |
1036 |
|
|
11 |
A2 |
1196 |
1081 |
0.904 |
179 |
1037 |
|
|
12 |
A2 |
1014 |
850 |
0.838 |
179 |
1038 |
|
|
13 |
A2 |
466 |
325 |
0.698 |
179 |
1039 |
|
|
14 |
B1 |
3049 |
2955 |
0.969 |
179 |
1040 |
|
|
15 |
B1 |
1131 |
1074 |
0.950 |
179 |
1041 |
|
|
16 |
B1 |
1068 |
846 |
0.792 |
179 |
1042 |
|
|
17 |
B1 |
970 |
635 |
0.655 |
179 |
1043 |
|
|
18 |
B2 |
3002 |
3047 |
1.015 |
179 |
1044 |
|
|
19 |
B2 |
2954 |
2916 |
0.987 |
179 |
1045 |
|
|
20 |
B2 |
1691 |
1427 |
0.844 |
179 |
1046 |
|
|
21 |
B2 |
1450 |
1294 |
0.892 |
179 |
1047 |
|
|
22 |
B2 |
1209 |
1214 |
1.004 |
179 |
1048 |
|
|
23 |
B2 |
933 |
888 |
0.951 |
179 |
1049 |
|
|
24 |
B2 |
733 |
740 |
1.010 |
179 |
1050 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
2949 |
3010 |
1.021 |
180 |
1051 |
|
|
2 |
A1 |
2944 |
3002 |
1.020 |
180 |
1052 |
|
|
3 |
A1 |
2107 |
1743 |
0.827 |
180 |
1053 |
|
|
4 |
A1 |
1858 |
1437 |
0.773 |
180 |
1054 |
|
|
5 |
A1 |
1680 |
1410 |
0.839 |
180 |
1055 |
|
|
6 |
A1 |
1175 |
1036 |
0.882 |
180 |
1056 |
|
|
7 |
A1 |
835 |
1002 |
1.200 |
180 |
1057 |
|
|
8 |
A1 |
442 |
723 |
1.634 |
180 |
1058 |
|
|
9 |
A2 |
3054 |
3051 |
0.999 |
180 |
1059 |
|
|
10 |
A2 |
1340 |
1144 |
0.854 |
180 |
1060 |
|
|
11 |
A2 |
866 |
937 |
1.083 |
180 |
1061 |
|
|
12 |
A2 |
718 |
616 |
0.858 |
180 |
1062 |
|
|
13 |
B1 |
3047 |
3071 |
1.008 |
180 |
1063 |
|
|
14 |
B1 |
1552 |
1072 |
0.691 |
180 |
1064 |
|
|
15 |
B1 |
1291 |
889 |
0.689 |
180 |
1065 |
|
|
16 |
B1 |
856 |
748 |
0.873 |
180 |
1066 |
|
|
17 |
B1 |
660 |
360 |
0.546 |
180 |
1067 |
|
|
18 |
B2 |
3046 |
3086 |
1.013 |
180 |
1068 |
|
|
19 |
B2 |
2929 |
2999 |
1.024 |
180 |
1069 |
|
|
20 |
B2 |
1727 |
1353 |
0.783 |
180 |
1070 |
|
|
21 |
B2 |
1307 |
1174 |
0.898 |
180 |
1071 |
|
|
22 |
B2 |
1013 |
1125 |
1.111 |
180 |
1072 |
|
|
23 |
B2 |
449 |
792 |
1.762 |
180 |
1073 |
|
|
24 |
B2 |
184 |
290 |
1.576 |
180 |
1074 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3030 |
3345 |
1.104 |
181 |
1075 |
|
|
2 |
A' |
2970 |
2985 |
1.005 |
181 |
1076 |
|
|
3 |
A' |
2942 |
2840 |
0.965 |
181 |
1077 |
|
|
4 |
A' |
2914 |
2860 |
0.981 |
181 |
1078 |
|
|
5 |
A' |
1738 |
1622 |
0.933 |
181 |
1079 |
|
|
6 |
A' |
1705 |
1487 |
0.872 |
181 |
1080 |
|
|
7 |
A' |
1667 |
1465 |
0.879 |
181 |
1081 |
|
|
8 |
A' |
1655 |
1378 |
0.832 |
181 |
1082 |
|
|
9 |
A' |
1537 |
1397 |
0.909 |
181 |
1083 |
|
|
10 |
A' |
1141 |
1016 |
0.890 |
181 |
1084 |
|
|
11 |
A' |
1098 |
1086 |
0.990 |
181 |
1085 |
|
|
12 |
A' |
986 |
892 |
0.905 |
181 |
1086 |
|
|
13 |
A' |
952 |
773 |
0.812 |
181 |
1087 |
|
|
14 |
A' |
447 |
403 |
0.901 |
181 |
1088 |
|
|
15 |
A" |
3033 |
3412 |
1.125 |
181 |
1089 |
|
|
16 |
A" |
3030 |
2924 |
0.965 |
181 |
1090 |
|
|
17 |
A" |
3002 |
2906 |
0.968 |
181 |
1091 |
|
|
18 |
A" |
1676 |
1455 |
0.868 |
181 |
1092 |
|
|
19 |
A" |
1314 |
1238 |
0.942 |
181 |
1093 |
|
|
20 |
A" |
1227 |
1293 |
1.054 |
181 |
1094 |
|
|
21 |
A" |
1101 |
1117 |
1.014 |
181 |
1095 |
|
|
22 |
A" |
913 |
816 |
0.894 |
181 |
1096 |
|
|
23 |
A" |
362 |
259 |
0.715 |
181 |
1097 |
|
|
24 |
A" |
242 |
218 |
0.901 |
181 |
1098 |
C4H5N |
Pyrrole |
1 |
A1 |
3022 |
3531 |
1.169 |
182 |
1099 |
|
|
2 |
A1 |
3013 |
3149 |
1.045 |
182 |
1100 |
|
|
3 |
A1 |
2988 |
3128 |
1.047 |
182 |
1101 |
|
|
4 |
A1 |
1975 |
1472 |
0.745 |
182 |
1102 |
|
|
5 |
A1 |
1816 |
1401 |
0.771 |
182 |
1103 |
|
|
6 |
A1 |
1313 |
1148 |
0.874 |
182 |
1104 |
|
|
7 |
A1 |
1303 |
1075 |
0.825 |
182 |
1105 |
|
|
8 |
A1 |
1213 |
1017 |
0.838 |
182 |
1106 |
|
|
9 |
A1 |
744 |
882 |
1.186 |
182 |
1107 |
|
|
10 |
A2 |
1496 |
864 |
0.578 |
182 |
1108 |
|
|
11 |
A2 |
1216 |
692 |
0.569 |
182 |
1109 |
|
|
12 |
A2 |
544 |
614 |
1.129 |
182 |
1110 |
|
|
13 |
B1 |
1508 |
827 |
0.548 |
182 |
1111 |
|
|
14 |
B1 |
1229 |
722 |
0.588 |
182 |
1112 |
|
|
15 |
B1 |
968 |
621 |
0.641 |
182 |
1113 |
|
|
16 |
B1 |
549 |
475 |
0.865 |
182 |
1114 |
|
|
17 |
B2 |
3018 |
3143 |
1.041 |
182 |
1115 |
|
|
18 |
B2 |
3000 |
3119 |
1.040 |
182 |
1116 |
|
|
19 |
B2 |
1957 |
1519 |
0.776 |
182 |
1117 |
|
|
20 |
B2 |
1818 |
1424 |
0.784 |
182 |
1118 |
|
|
21 |
B2 |
1545 |
1288 |
0.834 |
182 |
1119 |
|
|
22 |
B2 |
1365 |
1134 |
0.831 |
182 |
1120 |
|
|
23 |
B2 |
1226 |
1049 |
0.856 |
182 |
1121 |
|
|
24 |
B2 |
740 |
866 |
1.170 |
182 |
1122 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3049 |
3120 |
1.023 |
183 |
1123 |
|
|
2 |
A' |
2998 |
3052 |
1.018 |
183 |
1124 |
|
|
3 |
A' |
2950 |
3044 |
1.032 |
183 |
1125 |
|
|
4 |
A' |
2088 |
2264 |
1.084 |
183 |
1126 |
|
|
5 |
A' |
1848 |
1468 |
0.794 |
183 |
1127 |
|
|
6 |
A' |
1621 |
1344 |
0.829 |
183 |
1128 |
|
|
7 |
A' |
1301 |
1195 |
0.919 |
183 |
1129 |
|
|
8 |
A' |
1253 |
1125 |
0.898 |
183 |
1130 |
|
|
9 |
A' |
1064 |
1049 |
0.986 |
183 |
1131 |
|
|
10 |
A' |
948 |
941 |
0.992 |
183 |
1132 |
|
|
11 |
A' |
763 |
808 |
1.059 |
183 |
1133 |
|
|
12 |
A' |
640 |
736 |
1.151 |
183 |
1134 |
|
|
13 |
A' |
535 |
527 |
0.986 |
183 |
1135 |
|
|
14 |
A' |
302 |
222 |
0.734 |
183 |
1136 |
|
|
15 |
A" |
3053 |
3094 |
1.014 |
183 |
1137 |
|
|
16 |
A" |
2932 |
3040 |
1.037 |
183 |
1138 |
|
|
17 |
A" |
1735 |
1442 |
0.831 |
183 |
1139 |
|
|
18 |
A" |
1318 |
1180 |
0.896 |
183 |
1140 |
|
|
19 |
A" |
1046 |
1070 |
1.023 |
183 |
1141 |
|
|
20 |
A" |
766 |
1088 |
1.421 |
183 |
1142 |
|
|
21 |
A" |
649 |
880 |
1.357 |
183 |
1143 |
|
|
22 |
A" |
606 |
821 |
1.355 |
183 |
1144 |
|
|
23 |
A" |
490 |
543 |
1.107 |
183 |
1145 |
|
|
24 |
A" |
169 |
222 |
1.317 |
183 |
1146 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3019 |
3063 |
1.015 |
184 |
1147 |
|
|
2 |
A1 |
3006 |
3043 |
1.012 |
184 |
1148 |
|
|
3 |
A1 |
2089 |
1572 |
0.752 |
184 |
1149 |
|
|
4 |
A1 |
1908 |
1414 |
0.741 |
184 |
1150 |
|
|
5 |
A1 |
1538 |
1283 |
0.834 |
184 |
1151 |
|
|
6 |
A1 |
1455 |
1160 |
0.797 |
184 |
1152 |
|
|
7 |
A1 |
1236 |
1063 |
0.860 |
184 |
1153 |
|
|
8 |
A1 |
980 |
964 |
0.983 |
184 |
1154 |
|
|
9 |
A1 |
706 |
619 |
0.876 |
184 |
1155 |
|
|
10 |
A2 |
1423 |
936 |
0.658 |
184 |
1156 |
|
|
11 |
A2 |
1031 |
863 |
0.837 |
184 |
1157 |
|
|
12 |
A2 |
578 |
751 |
1.300 |
184 |
1158 |
|
|
13 |
A2 |
317 |
421 |
1.329 |
184 |
1159 |
|
|
14 |
B1 |
1248 |
|
|
184 |
1160 |
|
|
15 |
B1 |
935 |
760 |
0.813 |
184 |
1161 |
|
|
16 |
B1 |
355 |
370 |
1.041 |
184 |
1162 |
|
|
17 |
B2 |
3011 |
3075 |
1.021 |
184 |
1163 |
|
|
18 |
B2 |
2995 |
3043 |
1.016 |
184 |
1164 |
|
|
19 |
B2 |
2032 |
1565 |
0.770 |
184 |
1165 |
|
|
20 |
B2 |
1745 |
1444 |
0.827 |
184 |
1166 |
|
|
21 |
B2 |
1444 |
1239 |
0.858 |
184 |
1167 |
|
|
22 |
B2 |
1289 |
1052 |
0.816 |
184 |
1168 |
|
|
23 |
B2 |
896 |
1009 |
1.126 |
184 |
1169 |
|
|
24 |
B2 |
654 |
664 |
1.015 |
184 |
1170 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3017 |
3082 |
1.021 |
185 |
1171 |
|
|
2 |
A1 |
3003 |
3053 |
1.016 |
185 |
1172 |
|
|
3 |
A1 |
2997 |
3049 |
1.017 |
185 |
1173 |
|
|
4 |
A1 |
2000 |
1572 |
0.786 |
185 |
1174 |
|
|
5 |
A1 |
1604 |
1465 |
0.914 |
185 |
1175 |
|
|
6 |
A1 |
1275 |
1155 |
0.906 |
185 |
1176 |
|
|
7 |
A1 |
1193 |
1065 |
0.893 |
185 |
1177 |
|
|
8 |
A1 |
901 |
969 |
1.076 |
185 |
1178 |
|
|
9 |
A1 |
717 |
679 |
0.947 |
185 |
1179 |
|
|
10 |
A2 |
1088 |
960 |
0.883 |
185 |
1180 |
|
|
11 |
A2 |
270 |
398 |
1.475 |
185 |
1181 |
|
|
12 |
B1 |
1368 |
1033 |
0.755 |
185 |
1182 |
|
|
13 |
B1 |
938 |
980 |
1.045 |
185 |
1183 |
|
|
14 |
B1 |
863 |
804 |
0.932 |
185 |
1184 |
|
|
15 |
B1 |
511 |
719 |
1.407 |
185 |
1185 |
|
|
16 |
B1 |
168 |
347 |
2.067 |
185 |
1186 |
|
|
17 |
B2 |
3007 |
3047 |
1.013 |
185 |
1187 |
|
|
18 |
B2 |
2082 |
1569 |
0.754 |
185 |
1188 |
|
|
19 |
B2 |
2012 |
1411 |
0.701 |
185 |
1189 |
|
|
20 |
B2 |
1786 |
1356 |
0.759 |
185 |
1190 |
|
|
21 |
B2 |
1546 |
1224 |
0.792 |
185 |
1191 |
|
|
22 |
B2 |
1431 |
1158 |
0.809 |
185 |
1192 |
|
|
23 |
B2 |
1202 |
1071 |
0.891 |
185 |
1193 |
|
|
24 |
B2 |
668 |
621 |
0.930 |
185 |
1194 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3016 |
3055 |
1.013 |
186 |
1195 |
|
|
2 |
Ag |
2052 |
1580 |
0.770 |
186 |
1196 |
|
|
3 |
Ag |
1407 |
1233 |
0.876 |
186 |
1197 |
|
|
4 |
Ag |
1203 |
1016 |
0.844 |
186 |
1198 |
|
|
5 |
Ag |
642 |
602 |
0.937 |
186 |
1199 |
|
|
6 |
Au |
1211 |
960 |
0.792 |
186 |
1200 |
|
|
7 |
Au |
396 |
350 |
0.885 |
186 |
1201 |
|
|
8 |
B1g |
901 |
927 |
1.029 |
186 |
1202 |
|
|
9 |
B1u |
2997 |
3012 |
1.005 |
186 |
1203 |
|
|
10 |
B1u |
1823 |
1483 |
0.813 |
186 |
1204 |
|
|
11 |
B1u |
1175 |
1130 |
0.962 |
186 |
1205 |
|
|
12 |
B1u |
896 |
1018 |
1.136 |
186 |
1206 |
|
|
13 |
B2g |
1216 |
983 |
0.808 |
186 |
1207 |
|
|
14 |
B2g |
468 |
756 |
1.616 |
186 |
1208 |
|
|
15 |
B2u |
3011 |
3069 |
1.019 |
186 |
1209 |
|
|
16 |
B2u |
2071 |
1411 |
0.681 |
186 |
1210 |
|
|
17 |
B2u |
1607 |
1149 |
0.715 |
186 |
1211 |
|
|
18 |
B2u |
1317 |
1063 |
0.807 |
186 |
1212 |
|
|
19 |
B3g |
3004 |
3040 |
1.012 |
186 |
1213 |
|
|
20 |
B3g |
1936 |
1525 |
0.788 |
186 |
1214 |
|
|
21 |
B3g |
1524 |
1346 |
0.883 |
186 |
1215 |
|
|
22 |
B3g |
746 |
704 |
0.944 |
186 |
1216 |
|
|
23 |
B3u |
934 |
785 |
0.840 |
186 |
1217 |
|
|
24 |
B3u |
175 |
418 |
2.393 |
186 |
1218 |
CH3COCH3 |
Acetone |
1 |
A1 |
3031 |
3019 |
0.996 |
187 |
1219 |
|
|
2 |
A1 |
2916 |
2937 |
1.007 |
187 |
1220 |
|
|
3 |
A1 |
1767 |
1731 |
0.979 |
187 |
1221 |
|
|
4 |
A1 |
1669 |
1435 |
0.860 |
187 |
1222 |
|
|
5 |
A1 |
1624 |
1364 |
0.840 |
187 |
1223 |
|
|
6 |
A1 |
1120 |
1066 |
0.951 |
187 |
1224 |
|
|
7 |
A1 |
835 |
777 |
0.931 |
187 |
1225 |
|
|
8 |
A1 |
461 |
385 |
0.835 |
187 |
1226 |
|
|
9 |
A2 |
3028 |
2963 |
0.979 |
187 |
1227 |
|
|
10 |
A2 |
1680 |
1426 |
0.849 |
187 |
1228 |
|
|
11 |
A2 |
1064 |
877 |
0.824 |
187 |
1229 |
|
|
12 |
A2 |
259 |
77 |
0.297 |
187 |
1230 |
|
|
13 |
B1 |
3030 |
2972 |
0.981 |
187 |
1231 |
|
|
14 |
B1 |
1690 |
1454 |
0.860 |
187 |
1232 |
|
|
15 |
B1 |
1156 |
1091 |
0.944 |
187 |
1233 |
|
|
16 |
B1 |
533 |
484 |
0.908 |
187 |
1234 |
|
|
17 |
B1 |
284 |
125 |
0.441 |
187 |
1235 |
|
|
18 |
B2 |
3028 |
3019 |
0.997 |
187 |
1236 |
|
|
19 |
B2 |
2918 |
2937 |
1.006 |
187 |
1237 |
|
|
20 |
B2 |
1716 |
1410 |
0.822 |
187 |
1238 |
|
|
21 |
B2 |
1667 |
1364 |
0.818 |
187 |
1239 |
|
|
22 |
B2 |
1332 |
1216 |
0.913 |
187 |
1240 |
|
|
23 |
B2 |
1091 |
891 |
0.817 |
187 |
1241 |
|
|
24 |
B2 |
522 |
530 |
1.016 |
187 |
1242 |
CH3CH2CHO |
Propanal |
1 |
A' |
3031 |
2981 |
0.984 |
188 |
1243 |
|
|
2 |
A' |
3002 |
2904 |
0.967 |
188 |
1244 |
|
|
3 |
A' |
2965 |
2895 |
0.976 |
188 |
1245 |
|
|
4 |
A' |
2916 |
2809 |
0.963 |
188 |
1246 |
|
|
5 |
A' |
1908 |
1743 |
0.914 |
188 |
1247 |
|
|
6 |
A' |
1718 |
1460 |
0.850 |
188 |
1248 |
|
|
7 |
A' |
1669 |
1416 |
0.849 |
188 |
1249 |
|
|
8 |
A' |
1652 |
1390 |
0.841 |
188 |
1250 |
|
|
9 |
A' |
1561 |
1376 |
0.881 |
188 |
1251 |
|
|
10 |
A' |
1446 |
1335 |
0.923 |
188 |
1252 |
|
|
11 |
A' |
1130 |
1093 |
0.967 |
188 |
1253 |
|
|
12 |
A' |
1091 |
993 |
0.910 |
188 |
1254 |
|
|
13 |
A' |
913 |
848 |
0.929 |
188 |
1255 |
|
|
14 |
A' |
594 |
668 |
1.125 |
188 |
1256 |
|
|
15 |
A' |
342 |
271 |
0.792 |
188 |
1257 |
|
|
16 |
A" |
3032 |
2992 |
0.987 |
188 |
1258 |
|
|
17 |
A" |
3030 |
2942 |
0.971 |
188 |
1259 |
|
|
18 |
A" |
1681 |
1451 |
0.863 |
188 |
1260 |
|
|
19 |
A" |
1352 |
1250 |
0.924 |
188 |
1261 |
|
|
20 |
A" |
1121 |
1118 |
0.997 |
188 |
1262 |
|
|
21 |
A" |
961 |
892 |
0.928 |
188 |
1263 |
|
|
22 |
A" |
818 |
660 |
0.807 |
188 |
1264 |
|
|
23 |
A" |
282 |
220 |
0.779 |
188 |
1265 |
|
|
24 |
A" |
132 |
135 |
1.022 |
188 |
1266 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3027 |
2990 |
0.988 |
189 |
1267 |
|
|
2 |
A |
3024 |
2983 |
0.986 |
189 |
1268 |
|
|
3 |
A |
2911 |
2913 |
1.001 |
189 |
1269 |
|
|
4 |
A |
1681 |
1426 |
0.848 |
189 |
1270 |
|
|
5 |
A |
1661 |
1419 |
0.855 |
189 |
1271 |
|
|
6 |
A |
1626 |
1311 |
0.806 |
189 |
1272 |
|
|
7 |
A |
1047 |
955 |
0.912 |
189 |
1273 |
|
|
8 |
A |
1039 |
949 |
0.913 |
189 |
1274 |
|
|
9 |
A |
879 |
694 |
0.789 |
189 |
1275 |
|
|
10 |
A |
712 |
509 |
0.715 |
189 |
1276 |
|
|
11 |
A |
256 |
240 |
0.936 |
189 |
1277 |
|
|
12 |
A |
227 |
134 |
0.590 |
189 |
1278 |
|
|
13 |
A |
92 |
117 |
1.278 |
189 |
1279 |
|
|
14 |
B |
3026 |
2990 |
0.988 |
189 |
1280 |
|
|
15 |
B |
3024 |
2983 |
0.986 |
189 |
1281 |
|
|
16 |
B |
2910 |
2915 |
1.002 |
189 |
1282 |
|
|
17 |
B |
1678 |
1430 |
0.852 |
189 |
1283 |
|
|
18 |
B |
1661 |
1415 |
0.852 |
189 |
1284 |
|
|
19 |
B |
1622 |
1303 |
0.803 |
189 |
1285 |
|
|
20 |
B |
1037 |
955 |
0.921 |
189 |
1286 |
|
|
21 |
B |
1030 |
949 |
0.921 |
189 |
1287 |
|
|
22 |
B |
876 |
691 |
0.789 |
189 |
1288 |
|
|
23 |
B |
265 |
274 |
1.032 |
189 |
1289 |
|
|
24 |
B |
232 |
134 |
0.577 |
189 |
1290 |
C3H8 |
Propane |
1 |
A1 |
3031 |
2977 |
0.982 |
190 |
1291 |
|
|
2 |
A1 |
2968 |
2962 |
0.998 |
190 |
1292 |
|
|
3 |
A1 |
2913 |
2887 |
0.991 |
190 |
1293 |
|
|
4 |
A1 |
1702 |
1476 |
0.867 |
190 |
1294 |
|
|
5 |
A1 |
1667 |
1462 |
0.877 |
190 |
1295 |
|
|
6 |
A1 |
1630 |
1392 |
0.854 |
190 |
1296 |
|
|
7 |
A1 |
1160 |
1158 |
0.999 |
190 |
1297 |
|
|
8 |
A1 |
927 |
869 |
0.937 |
190 |
1298 |
|
|
9 |
A1 |
431 |
369 |
0.857 |
190 |
1299 |
|
|
10 |
A2 |
3030 |
2967 |
0.979 |
190 |
1300 |
|
|
11 |
A2 |
1674 |
1451 |
0.867 |
190 |
1301 |
|
|
12 |
A2 |
1328 |
1278 |
0.963 |
190 |
1302 |
|
|
13 |
A2 |
1071 |
940 |
0.878 |
190 |
1303 |
|
|
14 |
A2 |
233 |
216 |
0.928 |
190 |
1304 |
|
|
15 |
B1 |
3033 |
2973 |
0.980 |
190 |
1305 |
|
|
16 |
B1 |
3031 |
2968 |
0.979 |
190 |
1306 |
|
|
17 |
B1 |
1683 |
1472 |
0.874 |
190 |
1307 |
|
|
18 |
B1 |
1154 |
1192 |
1.033 |
190 |
1308 |
|
|
19 |
B1 |
891 |
748 |
0.840 |
190 |
1309 |
|
|
20 |
B1 |
288 |
268 |
0.929 |
190 |
1310 |
|
|
21 |
B2 |
3029 |
2968 |
0.980 |
190 |
1311 |
|
|
22 |
B2 |
2918 |
2887 |
0.989 |
190 |
1312 |
|
|
23 |
B2 |
1723 |
1464 |
0.850 |
190 |
1313 |
|
|
24 |
B2 |
1666 |
1378 |
0.827 |
190 |
1314 |
|
|
25 |
B2 |
1515 |
1338 |
0.883 |
190 |
1315 |
|
|
26 |
B2 |
1129 |
1054 |
0.934 |
190 |
1316 |
|
|
27 |
B2 |
1023 |
922 |
0.901 |
190 |
1317 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3022 |
3091 |
1.023 |
191 |
1318 |
|
|
2 |
A1 |
3006 |
3075 |
1.023 |
191 |
1319 |
|
|
3 |
A1 |
2961 |
2886 |
0.975 |
191 |
1320 |
|
|
4 |
A1 |
1882 |
1500 |
0.797 |
191 |
1321 |
|
|
5 |
A1 |
1718 |
1378 |
0.802 |
191 |
1322 |
|
|
6 |
A1 |
1657 |
1365 |
0.824 |
191 |
1323 |
|
|
7 |
A1 |
1391 |
1106 |
0.795 |
191 |
1324 |
|
|
8 |
A1 |
1068 |
994 |
0.931 |
191 |
1325 |
|
|
9 |
A1 |
1006 |
915 |
0.909 |
191 |
1326 |
|
|
10 |
A1 |
683 |
802 |
1.175 |
191 |
1327 |
|
|
11 |
A2 |
1540 |
1100 |
0.714 |
191 |
1328 |
|
|
12 |
A2 |
1209 |
941 |
0.778 |
191 |
1329 |
|
|
13 |
A2 |
1090 |
700 |
0.642 |
191 |
1330 |
|
|
14 |
A2 |
563 |
516 |
0.917 |
191 |
1331 |
|
|
15 |
B1 |
3040 |
2900 |
0.954 |
191 |
1332 |
|
|
16 |
B1 |
1495 |
925 |
0.619 |
191 |
1333 |
|
|
17 |
B1 |
1103 |
891 |
0.808 |
191 |
1334 |
|
|
18 |
B1 |
941 |
664 |
0.706 |
191 |
1335 |
|
|
19 |
B1 |
419 |
350 |
0.836 |
191 |
1336 |
|
|
20 |
B2 |
3021 |
3105 |
1.028 |
191 |
1337 |
|
|
21 |
B2 |
3000 |
3043 |
1.014 |
191 |
1338 |
|
|
22 |
B2 |
1906 |
1580 |
0.829 |
191 |
1339 |
|
|
23 |
B2 |
1632 |
1292 |
0.792 |
191 |
1340 |
|
|
24 |
B2 |
1469 |
1239 |
0.843 |
191 |
1341 |
|
|
25 |
B2 |
1336 |
1090 |
0.816 |
191 |
1342 |
|
|
26 |
B2 |
1024 |
959 |
0.937 |
191 |
1343 |
|
|
27 |
B2 |
751 |
805 |
1.072 |
191 |
1344 |
C5H5N |
Pyridine |
1 |
A1 |
3020 |
3094 |
1.025 |
192 |
1345 |
|
|
2 |
A1 |
3009 |
3073 |
1.021 |
192 |
1346 |
|
|
3 |
A1 |
2994 |
3030 |
1.012 |
192 |
1347 |
|
|
4 |
A1 |
2062 |
1584 |
0.768 |
192 |
1348 |
|
|
5 |
A1 |
1835 |
1483 |
0.809 |
192 |
1349 |
|
|
6 |
A1 |
1432 |
1218 |
0.850 |
192 |
1350 |
|
|
7 |
A1 |
1220 |
1072 |
0.879 |
192 |
1351 |
|
|
8 |
A1 |
1176 |
1032 |
0.877 |
192 |
1352 |
|
|
9 |
A1 |
912 |
991 |
1.087 |
192 |
1353 |
|
|
10 |
A1 |
660 |
601 |
0.911 |
192 |
1354 |
|
|
11 |
A2 |
1331 |
980 |
0.736 |
192 |
1355 |
|
|
12 |
A2 |
989 |
880 |
0.889 |
192 |
1356 |
|
|
13 |
A2 |
414 |
373 |
0.901 |
192 |
1357 |
|
|
14 |
B1 |
1445 |
1007 |
0.697 |
192 |
1358 |
|
|
15 |
B1 |
1166 |
937 |
0.803 |
192 |
1359 |
|
|
16 |
B1 |
948 |
744 |
0.784 |
192 |
1360 |
|
|
17 |
B1 |
607 |
700 |
1.154 |
192 |
1361 |
|
|
18 |
B1 |
270 |
403 |
1.493 |
192 |
1362 |
|
|
19 |
B2 |
3014 |
3087 |
1.024 |
192 |
1363 |
|
|
20 |
B2 |
3004 |
3042 |
1.013 |
192 |
1364 |
|
|
21 |
B2 |
2108 |
1581 |
0.750 |
192 |
1365 |
|
|
22 |
B2 |
2011 |
1442 |
0.717 |
192 |
1366 |
|
|
23 |
B2 |
1751 |
1362 |
0.778 |
192 |
1367 |
|
|
24 |
B2 |
1569 |
1227 |
0.782 |
192 |
1368 |
|
|
25 |
B2 |
1485 |
1143 |
0.770 |
192 |
1369 |
|
|
26 |
B2 |
1267 |
1079 |
0.851 |
192 |
1370 |
|
|
27 |
B2 |
713 |
652 |
0.915 |
192 |
1371 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3030 |
3058 |
1.009 |
193 |
1372 |
|
|
2 |
A' |
3019 |
2995 |
0.992 |
193 |
1373 |
|
|
3 |
A' |
3000 |
2963 |
0.988 |
193 |
1374 |
|
|
4 |
A' |
2993 |
2938 |
0.982 |
193 |
1375 |
|
|
5 |
A' |
2917 |
2805 |
0.962 |
193 |
1376 |
|
|
6 |
A' |
2126 |
1720 |
0.809 |
193 |
1377 |
|
|
7 |
A' |
1921 |
1649 |
0.858 |
193 |
1378 |
|
|
8 |
A' |
1840 |
1455 |
0.791 |
193 |
1379 |
|
|
9 |
A' |
1704 |
1391 |
0.816 |
193 |
1380 |
|
|
10 |
A' |
1642 |
1375 |
0.837 |
193 |
1381 |
|
|
11 |
A' |
1554 |
1304 |
0.839 |
193 |
1382 |
|
|
12 |
A' |
1460 |
1253 |
0.858 |
193 |
1383 |
|
|
13 |
A' |
1187 |
1147 |
0.967 |
193 |
1384 |
|
|
14 |
A' |
1160 |
1074 |
0.926 |
193 |
1385 |
|
|
15 |
A' |
1054 |
973 |
0.923 |
193 |
1386 |
|
|
16 |
A' |
618 |
539 |
0.872 |
193 |
1387 |
|
|
17 |
A' |
487 |
464 |
0.953 |
193 |
1388 |
|
|
18 |
A' |
318 |
230 |
0.723 |
193 |
1389 |
|
|
19 |
A" |
3030 |
2980 |
0.984 |
193 |
1390 |
|
|
20 |
A" |
1667 |
1455 |
0.873 |
193 |
1391 |
|
|
21 |
A" |
1339 |
1042 |
0.778 |
193 |
1392 |
|
|
22 |
A" |
1322 |
973 |
0.736 |
193 |
1393 |
|
|
23 |
A" |
1059 |
928 |
0.876 |
193 |
1394 |
|
|
24 |
A" |
932 |
780 |
0.837 |
193 |
1395 |
|
|
25 |
A" |
309 |
295 |
0.955 |
193 |
1396 |
|
|
26 |
A" |
183 |
173 |
0.945 |
193 |
1397 |
|
|
27 |
A" |
93 |
122 |
1.317 |
193 |
1398 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3030 |
3022 |
0.997 |
194 |
1399 |
|
|
2 |
A |
3029 |
3004 |
0.992 |
194 |
1400 |
|
|
3 |
A |
3025 |
2991 |
0.989 |
194 |
1401 |
|
|
4 |
A |
2996 |
2970 |
0.991 |
194 |
1402 |
|
|
5 |
A |
2956 |
2949 |
0.998 |
194 |
1403 |
|
|
6 |
A |
2917 |
2908 |
0.997 |
194 |
1404 |
|
|
7 |
A |
1709 |
1462 |
0.855 |
194 |
1405 |
|
|
8 |
A |
1686 |
1459 |
0.865 |
194 |
1406 |
|
|
9 |
A |
1679 |
1446 |
0.861 |
194 |
1407 |
|
|
10 |
A |
1667 |
1391 |
0.834 |
194 |
1408 |
|
|
11 |
A |
1609 |
1347 |
0.837 |
194 |
1409 |
|
|
12 |
A |
1465 |
1286 |
0.878 |
194 |
1410 |
|
|
13 |
A |
1417 |
1238 |
0.874 |
194 |
1411 |
|
|
14 |
A |
1320 |
1181 |
0.895 |
194 |
1412 |
|
|
15 |
A |
1177 |
1120 |
0.952 |
194 |
1413 |
|
|
16 |
A |
1131 |
1076 |
0.952 |
194 |
1414 |
|
|
17 |
A |
1109 |
1023 |
0.922 |
194 |
1415 |
|
|
18 |
A |
1010 |
890 |
0.881 |
194 |
1416 |
|
|
19 |
A |
897 |
850 |
0.947 |
194 |
1417 |
|
|
20 |
A |
883 |
750 |
0.849 |
194 |
1418 |
|
|
21 |
A |
827 |
685 |
0.828 |
194 |
1419 |
|
|
22 |
A |
453 |
417 |
0.921 |
194 |
1420 |
|
|
23 |
A |
357 |
358 |
1.003 |
194 |
1421 |
|
|
24 |
A |
276 |
285 |
1.034 |
194 |
1422 |
|
|
25 |
A |
261 |
250 |
0.957 |
194 |
1423 |
|
|
26 |
A |
240 |
203 |
0.845 |
194 |
1424 |
|
|
27 |
A |
112 |
108 |
0.963 |
194 |
1425 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3030 |
2989 |
0.986 |
195 |
1426 |
|
|
2 |
A1 |
2953 |
2941 |
0.996 |
195 |
1427 |
|
|
3 |
A1 |
2918 |
2911 |
0.998 |
195 |
1428 |
|
|
4 |
A1 |
2180 |
1661 |
0.762 |
195 |
1429 |
|
|
5 |
A1 |
1796 |
1470 |
0.818 |
195 |
1430 |
|
|
6 |
A1 |
1669 |
1416 |
0.849 |
195 |
1431 |
|
|
7 |
A1 |
1640 |
1366 |
0.833 |
195 |
1432 |
|
|
8 |
A1 |
1161 |
1064 |
0.916 |
195 |
1433 |
|
|
9 |
A1 |
897 |
801 |
0.893 |
195 |
1434 |
|
|
10 |
A1 |
519 |
383 |
0.738 |
195 |
1435 |
|
|
11 |
A2 |
3028 |
2970 |
0.981 |
195 |
1436 |
|
|
12 |
A2 |
1683 |
1459 |
0.867 |
195 |
1437 |
|
|
13 |
A2 |
1074 |
1076 |
1.002 |
195 |
1438 |
|
|
14 |
A2 |
824 |
|
|
195 |
1439 |
|
|
15 |
A2 |
246 |
193 |
0.785 |
195 |
1440 |
|
|
16 |
B1 |
3031 |
2945 |
0.972 |
195 |
1441 |
|
|
17 |
B1 |
1699 |
1444 |
0.850 |
195 |
1442 |
|
|
18 |
B1 |
1538 |
1079 |
0.702 |
195 |
1443 |
|
|
19 |
B1 |
1169 |
890 |
0.761 |
195 |
1444 |
|
|
20 |
B1 |
628 |
429 |
0.683 |
195 |
1445 |
|
|
21 |
B1 |
274 |
196 |
0.715 |
195 |
1446 |
|
|
22 |
B2 |
3049 |
3086 |
1.012 |
195 |
1447 |
|
|
23 |
B2 |
3025 |
2980 |
0.985 |
195 |
1448 |
|
|
24 |
B2 |
2920 |
2893 |
0.991 |
195 |
1449 |
|
|
25 |
B2 |
1756 |
1458 |
0.830 |
195 |
1450 |
|
|
26 |
B2 |
1672 |
1381 |
0.826 |
195 |
1451 |
|
|
27 |
B2 |
1492 |
1282 |
0.859 |
195 |
1452 |
|
|
28 |
B2 |
1230 |
1043 |
0.848 |
195 |
1453 |
|
|
29 |
B2 |
1104 |
974 |
0.882 |
195 |
1454 |
|
|
30 |
B2 |
584 |
430 |
0.736 |
195 |
1455 |
C6H6 |
Benzene |
1 |
A1g |
3022 |
3062 |
1.013 |
196 |
1456 |
|
|
2 |
A1g |
1193 |
992 |
0.831 |
196 |
1457 |
|
|
3 |
A2g |
1678 |
1326 |
0.790 |
196 |
1458 |
|
|
4 |
A2u |
955 |
673 |
0.705 |
196 |
1459 |
|
|
5 |
B1u |
2991 |
3068 |
1.026 |
196 |
1460 |
|
|
6 |
B1u |
927 |
1010 |
1.089 |
196 |
1461 |
|
|
7 |
B2g |
1483 |
995 |
0.671 |
196 |
1462 |
|
|
8 |
B2g |
684 |
703 |
1.028 |
196 |
1463 |
|
|
9 |
B2u |
2131 |
1310 |
0.615 |
196 |
1464 |
|
|
10 |
B2u |
1543 |
1150 |
0.745 |
196 |
1465 |
|
|
11 |
E1g |
1129 |
849 |
0.752 |
196 |
1466 |
|
|
12 |
E1u |
3016 |
3063 |
1.016 |
196 |
1467 |
|
|
13 |
E1u |
1847 |
1486 |
0.804 |
196 |
1468 |
|
|
14 |
E1u |
1229 |
1038 |
0.845 |
196 |
1469 |
|
|
15 |
E2g |
3007 |
3047 |
1.013 |
196 |
1470 |
|
|
16 |
E2g |
2072 |
1596 |
0.770 |
196 |
1471 |
|
|
17 |
E2g |
1461 |
1178 |
0.806 |
196 |
1472 |
|
|
18 |
E2g |
684 |
606 |
0.886 |
196 |
1473 |
|
|
19 |
E2u |
1389 |
975 |
0.702 |
196 |
1474 |
|
|
20 |
E2u |
441 |
410 |
0.931 |
196 |
1475 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3051 |
3088 |
1.012 |
197 |
1476 |
|
|
2 |
A |
3031 |
3017 |
0.995 |
197 |
1477 |
|
|
3 |
A |
3030 |
3011 |
0.994 |
197 |
1478 |
|
|
4 |
A |
3015 |
2990 |
0.992 |
197 |
1479 |
|
|
5 |
A |
2994 |
2974 |
0.993 |
197 |
1480 |
|
|
6 |
A |
2948 |
2967 |
1.006 |
197 |
1481 |
|
|
7 |
A |
2919 |
2927 |
1.003 |
197 |
1482 |
|
|
8 |
A |
2155 |
1645 |
0.763 |
197 |
1483 |
|
|
9 |
A |
1911 |
1452 |
0.760 |
197 |
1484 |
|
|
10 |
A |
1697 |
1447 |
0.853 |
197 |
1485 |
|
|
11 |
A |
1685 |
1424 |
0.845 |
197 |
1486 |
|
|
12 |
A |
1671 |
1375 |
0.823 |
197 |
1487 |
|
|
13 |
A |
1579 |
1297 |
0.821 |
197 |
1488 |
|
|
14 |
A |
1548 |
1283 |
0.829 |
197 |
1489 |
|
|
15 |
A |
1459 |
1233 |
0.845 |
197 |
1490 |
|
|
16 |
A |
1441 |
1174 |
0.815 |
197 |
1491 |
|
|
17 |
A |
1383 |
1090 |
0.788 |
197 |
1492 |
|
|
18 |
A |
1315 |
1025 |
0.780 |
197 |
1493 |
|
|
19 |
A |
1186 |
988 |
0.833 |
197 |
1494 |
|
|
20 |
A |
1132 |
966 |
0.853 |
197 |
1495 |
|
|
21 |
A |
1115 |
931 |
0.835 |
197 |
1496 |
|
|
22 |
A |
1002 |
864 |
0.862 |
197 |
1497 |
|
|
23 |
A |
888 |
708 |
0.798 |
197 |
1498 |
|
|
24 |
A |
770 |
625 |
0.812 |
197 |
1499 |
|
|
25 |
A |
517 |
456 |
0.881 |
197 |
1500 |
|
|
26 |
A |
411 |
319 |
0.776 |
197 |
1501 |
|
|
27 |
A |
334 |
305 |
0.913 |
197 |
1502 |
|
|
28 |
A |
297 |
283 |
0.954 |
197 |
1503 |
|
|
29 |
A |
271 |
245 |
0.903 |
197 |
1504 |
|
|
30 |
A |
92 |
92 |
0.998 |
197 |
1505 |
C5H8 |
Cyclopentene |
1 |
A' |
3038 |
3066 |
1.009 |
198 |
1506 |
|
|
2 |
A' |
3034 |
2958 |
0.975 |
198 |
1507 |
|
|
3 |
A' |
3021 |
2916 |
0.965 |
198 |
1508 |
|
|
4 |
A' |
2976 |
2902 |
0.975 |
198 |
1509 |
|
|
5 |
A' |
2950 |
2852 |
0.967 |
198 |
1510 |
|
|
6 |
A' |
1917 |
1616 |
0.843 |
198 |
1511 |
|
|
7 |
A' |
1729 |
1467 |
0.848 |
198 |
1512 |
|
|
8 |
A' |
1637 |
1449 |
0.885 |
198 |
1513 |
|
|
9 |
A' |
1499 |
1302 |
0.868 |
198 |
1514 |
|
|
10 |
A' |
1406 |
1284 |
0.913 |
198 |
1515 |
|
|
11 |
A' |
1273 |
1213 |
0.953 |
198 |
1516 |
|
|
12 |
A' |
1116 |
1048 |
0.939 |
198 |
1517 |
|
|
13 |
A' |
1021 |
964 |
0.944 |
198 |
1518 |
|
|
14 |
A' |
981 |
962 |
0.981 |
198 |
1519 |
|
|
15 |
A' |
961 |
904 |
0.940 |
198 |
1520 |
|
|
16 |
A' |
891 |
692 |
0.777 |
198 |
1521 |
|
|
17 |
A' |
585 |
603 |
1.030 |
198 |
1522 |
|
|
18 |
A' |
104 |
254 |
2.431 |
198 |
1523 |
|
|
19 |
A" |
3036 |
3039 |
1.001 |
198 |
1524 |
|
|
20 |
A" |
3001 |
2967 |
0.989 |
198 |
1525 |
|
|
21 |
A" |
2962 |
2927 |
0.988 |
198 |
1526 |
|
|
22 |
A" |
1730 |
1467 |
0.848 |
198 |
1527 |
|
|
23 |
A" |
1680 |
1432 |
0.852 |
198 |
1528 |
|
|
24 |
A" |
1553 |
1356 |
0.873 |
198 |
1529 |
|
|
25 |
A" |
1489 |
1302 |
0.874 |
198 |
1530 |
|
|
26 |
A" |
1422 |
1297 |
0.912 |
198 |
1531 |
|
|
27 |
A" |
1338 |
1207 |
0.902 |
198 |
1532 |
|
|
28 |
A" |
1193 |
1113 |
0.933 |
198 |
1533 |
|
|
29 |
A" |
1153 |
1082 |
0.939 |
198 |
1534 |
|
|
30 |
A" |
1017 |
937 |
0.921 |
198 |
1535 |
|
|
31 |
A" |
975 |
800 |
0.821 |
198 |
1536 |
|
|
32 |
A" |
697 |
702 |
1.007 |
198 |
1537 |
|
|
33 |
A" |
459 |
387 |
0.843 |
198 |
1538 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3033 |
2953 |
0.974 |
199 |
1539 |
|
|
2 |
A1 |
2917 |
2775 |
0.951 |
199 |
1540 |
|
|
3 |
A1 |
1729 |
1459 |
0.844 |
199 |
1541 |
|
|
4 |
A1 |
1672 |
1444 |
0.864 |
199 |
1542 |
|
|
5 |
A1 |
1176 |
1186 |
1.009 |
199 |
1543 |
|
|
6 |
A1 |
866 |
828 |
0.956 |
199 |
1544 |
|
|
7 |
A1 |
383 |
367 |
0.957 |
199 |
1545 |
|
|
8 |
A2 |
3023 |
2977 |
0.985 |
199 |
1546 |
|
|
9 |
A2 |
1656 |
1453 |
0.877 |
199 |
1547 |
|
|
10 |
A2 |
1108 |
1046 |
0.945 |
199 |
1548 |
|
|
11 |
A2 |
232 |
255 |
1.096 |
199 |
1549 |
|
|
12 |
E |
3030 |
2981 |
0.984 |
199 |
1550 |
|
|
13 |
E |
3029 |
2953 |
0.975 |
199 |
1551 |
|
|
14 |
E |
2920 |
2776 |
0.951 |
199 |
1552 |
|
|
15 |
E |
1713 |
1471 |
0.859 |
199 |
1553 |
|
|
16 |
E |
1689 |
1444 |
0.855 |
199 |
1554 |
|
|
17 |
E |
1662 |
1409 |
0.848 |
199 |
1555 |
|
|
18 |
E |
1276 |
1275 |
0.999 |
199 |
1556 |
|
|
19 |
E |
1090 |
1103 |
1.012 |
199 |
1557 |
|
|
20 |
E |
1029 |
1043 |
1.014 |
199 |
1558 |
|
|
21 |
E |
473 |
424 |
0.895 |
199 |
1559 |
|
|
22 |
E |
278 |
281 |
1.012 |
199 |
1560 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3033 |
2974 |
0.981 |
200 |
1561 |
|
|
2 |
A' |
3031 |
2953 |
0.974 |
200 |
1562 |
|
|
3 |
A' |
3006 |
2940 |
0.978 |
200 |
1563 |
|
|
4 |
A' |
2996 |
2876 |
0.960 |
200 |
1564 |
|
|
5 |
A' |
2918 |
2757 |
0.945 |
200 |
1565 |
|
|
6 |
A' |
1920 |
1752 |
0.912 |
200 |
1566 |
|
|
7 |
A' |
1695 |
1474 |
0.870 |
200 |
1567 |
|
|
8 |
A' |
1684 |
1449 |
0.861 |
200 |
1568 |
|
|
9 |
A' |
1674 |
1399 |
0.836 |
200 |
1569 |
|
|
10 |
A' |
1539 |
1381 |
0.898 |
200 |
1570 |
|
|
11 |
A' |
1417 |
1329 |
0.938 |
200 |
1571 |
|
|
12 |
A' |
1254 |
1182 |
0.943 |
200 |
1572 |
|
|
13 |
A' |
1177 |
1138 |
0.967 |
200 |
1573 |
|
|
14 |
A' |
1025 |
922 |
0.900 |
200 |
1574 |
|
|
15 |
A' |
943 |
800 |
0.848 |
200 |
1575 |
|
|
16 |
A' |
550 |
632 |
1.148 |
200 |
1576 |
|
|
17 |
A' |
440 |
395 |
0.899 |
200 |
1577 |
|
|
18 |
A' |
370 |
272 |
0.735 |
200 |
1578 |
|
|
19 |
A' |
283 |
212 |
0.750 |
200 |
1579 |
|
|
20 |
A" |
3031 |
2990 |
0.987 |
200 |
1580 |
|
|
21 |
A" |
3029 |
2982 |
0.985 |
200 |
1581 |
|
|
22 |
A" |
2921 |
2885 |
0.988 |
200 |
1582 |
|
|
23 |
A" |
1721 |
1467 |
0.853 |
200 |
1583 |
|
|
24 |
A" |
1684 |
1452 |
0.862 |
200 |
1584 |
|
|
25 |
A" |
1668 |
1437 |
0.861 |
200 |
1585 |
|
|
26 |
A" |
1474 |
1290 |
0.875 |
200 |
1586 |
|
|
27 |
A" |
1183 |
1109 |
0.937 |
200 |
1587 |
|
|
28 |
A" |
1092 |
965 |
0.884 |
200 |
1588 |
|
|
29 |
A" |
1060 |
942 |
0.888 |
200 |
1589 |
|
|
30 |
A" |
914 |
933 |
1.021 |
200 |
1590 |
|
|
31 |
A" |
431 |
351 |
0.815 |
200 |
1591 |
|
|
32 |
A" |
264 |
227 |
0.859 |
200 |
1592 |
|
|
33 |
A" |
112 |
75 |
0.671 |
200 |
1593 |
CH3CH2CH2CH3 |
Butane |
1 |
Ag |
3030 |
2965 |
0.978 |
201 |
1594 |
|
|
2 |
Ag |
2972 |
2872 |
0.966 |
201 |
1595 |
|
|
3 |
Ag |
2916 |
2853 |
0.978 |
201 |
1596 |
|
|
4 |
Ag |
1747 |
1460 |
0.836 |
201 |
1597 |
|
|
5 |
Ag |
1696 |
1442 |
0.850 |
201 |
1598 |
|
|
6 |
Ag |
1667 |
1382 |
0.829 |
201 |
1599 |
|
|
7 |
Ag |
1585 |
1361 |
0.859 |
201 |
1600 |
|
|
8 |
Ag |
1181 |
1151 |
0.974 |
201 |
1601 |
|
|
9 |
Ag |
1064 |
1059 |
0.996 |
201 |
1602 |
|
|
10 |
Ag |
938 |
837 |
0.892 |
201 |
1603 |
|
|
11 |
Ag |
435 |
425 |
0.977 |
201 |
1604 |
|
|
12 |
Au |
3031 |
2968 |
0.979 |
201 |
1605 |
|
|
13 |
Au |
3031 |
2930 |
0.967 |
201 |
1606 |
|
|
14 |
Au |
1679 |
1461 |
0.870 |
201 |
1607 |
|
|
15 |
Au |
1366 |
1257 |
0.920 |
201 |
1608 |
|
|
16 |
Au |
1103 |
948 |
0.859 |
201 |
1609 |
|
|
17 |
Au |
860 |
731 |
0.850 |
201 |
1610 |
|
|
18 |
Au |
247 |
194 |
0.784 |
201 |
1611 |
|
|
19 |
Au |
134 |
102 |
0.763 |
201 |
1612 |
|
|
20 |
Bg |
3033 |
2965 |
0.977 |
201 |
1613 |
|
|
21 |
Bg |
3030 |
2912 |
0.961 |
201 |
1614 |
|
|
22 |
Bg |
1679 |
1460 |
0.869 |
201 |
1615 |
|
|
23 |
Bg |
1351 |
1300 |
0.963 |
201 |
1616 |
|
|
24 |
Bg |
1135 |
1180 |
1.040 |
201 |
1617 |
|
|
25 |
Bg |
947 |
803 |
0.848 |
201 |
1618 |
|
|
26 |
Bg |
278 |
225 |
0.809 |
201 |
1619 |
|
|
27 |
Bu |
3030 |
2968 |
0.979 |
201 |
1620 |
|
|
28 |
Bu |
2958 |
2870 |
0.970 |
201 |
1621 |
|
|
29 |
Bu |
2915 |
2853 |
0.979 |
201 |
1622 |
|
|
30 |
Bu |
1701 |
1461 |
0.859 |
201 |
1623 |
|
|
31 |
Bu |
1667 |
1461 |
0.877 |
201 |
1624 |
|
|
32 |
Bu |
1646 |
1379 |
0.838 |
201 |
1625 |
|
|
33 |
Bu |
1480 |
1290 |
0.872 |
201 |
1626 |
|
|
34 |
Bu |
1101 |
1009 |
0.916 |
201 |
1627 |
|
|
35 |
Bu |
1061 |
964 |
0.908 |
201 |
1628 |
|
|
36 |
Bu |
333 |
271 |
0.814 |
201 |
1629 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3044 |
3345 |
1.099 |
202 |
1630 |
|
|
2 |
A' |
3043 |
2975 |
0.978 |
202 |
1631 |
|
|
3 |
A' |
3012 |
2950 |
0.979 |
202 |
1632 |
|
|
4 |
A' |
2969 |
2918 |
0.983 |
202 |
1633 |
|
|
5 |
A' |
2946 |
2905 |
0.986 |
202 |
1634 |
|
|
6 |
A' |
2943 |
2887 |
0.981 |
202 |
1635 |
|
|
7 |
A' |
1760 |
1614 |
0.917 |
202 |
1636 |
|
|
8 |
A' |
1720 |
1467 |
0.853 |
202 |
1637 |
|
|
9 |
A' |
1675 |
1443 |
0.861 |
202 |
1638 |
|
|
10 |
A' |
1567 |
1390 |
0.887 |
202 |
1639 |
|
|
11 |
A' |
1366 |
1291 |
0.945 |
202 |
1640 |
|
|
12 |
A' |
1236 |
1237 |
1.001 |
202 |
1641 |
|
|
13 |
A' |
1176 |
1137 |
0.967 |
202 |
1642 |
|
|
14 |
A' |
1134 |
1120 |
0.987 |
202 |
1643 |
|
|
15 |
A' |
1071 |
1050 |
0.980 |
202 |
1644 |
|
|
16 |
A' |
1014 |
965 |
0.952 |
202 |
1645 |
|
|
17 |
A' |
1001 |
788 |
0.787 |
202 |
1646 |
|
|
18 |
A' |
880 |
752 |
0.855 |
202 |
1647 |
|
|
19 |
A' |
627 |
606 |
0.966 |
202 |
1648 |
|
|
20 |
A' |
461 |
448 |
0.973 |
202 |
1649 |
|
|
21 |
A' |
144 |
174 |
1.205 |
202 |
1650 |
|
|
22 |
A" |
3041 |
3411 |
1.122 |
202 |
1651 |
|
|
23 |
A" |
3000 |
2970 |
0.990 |
202 |
1652 |
|
|
24 |
A" |
2959 |
2957 |
0.999 |
202 |
1653 |
|
|
25 |
A" |
1714 |
1452 |
0.847 |
202 |
1654 |
|
|
26 |
A" |
1377 |
1213 |
0.881 |
202 |
1655 |
|
|
27 |
A" |
1360 |
1185 |
0.871 |
202 |
1656 |
|
|
28 |
A" |
1188 |
1168 |
0.983 |
202 |
1657 |
|
|
29 |
A" |
1183 |
1036 |
0.876 |
202 |
1658 |
|
|
30 |
A" |
1165 |
|
|
202 |
1659 |
|
|
31 |
A" |
1070 |
925 |
0.864 |
202 |
1660 |
|
|
32 |
A" |
1034 |
912 |
0.882 |
202 |
1661 |
|
|
33 |
A" |
1001 |
883 |
0.882 |
202 |
1662 |
|
|
34 |
A" |
984 |
788 |
0.801 |
202 |
1663 |
|
|
35 |
A" |
358 |
354 |
0.989 |
202 |
1664 |
|
|
36 |
A" |
309 |
240 |
0.777 |
202 |
1665 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3033 |
2968 |
0.979 |
203 |
1666 |
|
|
2 |
Ag |
2969 |
2856 |
0.962 |
203 |
1667 |
|
|
3 |
Ag |
1719 |
1444 |
0.840 |
203 |
1668 |
|
|
4 |
Ag |
1609 |
1397 |
0.868 |
203 |
1669 |
|
|
5 |
Ag |
1281 |
1305 |
1.019 |
203 |
1670 |
|
|
6 |
Ag |
1104 |
1128 |
1.022 |
203 |
1671 |
|
|
7 |
Ag |
1049 |
1015 |
0.968 |
203 |
1672 |
|
|
8 |
Ag |
844 |
837 |
0.992 |
203 |
1673 |
|
|
9 |
Ag |
460 |
435 |
0.945 |
203 |
1674 |
|
|
10 |
Ag |
404 |
424 |
1.050 |
203 |
1675 |
|
|
11 |
Au |
3029 |
2970 |
0.981 |
203 |
1676 |
|
|
12 |
Au |
2970 |
2863 |
0.964 |
203 |
1677 |
|
|
13 |
Au |
1710 |
1449 |
0.847 |
203 |
1678 |
|
|
14 |
Au |
1607 |
1369 |
0.852 |
203 |
1679 |
|
|
15 |
Au |
1282 |
1256 |
0.980 |
203 |
1680 |
|
|
16 |
Au |
1107 |
1136 |
1.027 |
203 |
1681 |
|
|
17 |
Au |
1034 |
1086 |
1.051 |
203 |
1682 |
|
|
18 |
Au |
978 |
881 |
0.900 |
203 |
1683 |
|
|
19 |
Au |
226 |
288 |
1.272 |
203 |
1684 |
|
|
20 |
Bg |
3029 |
2968 |
0.980 |
203 |
1685 |
|
|
21 |
Bg |
2956 |
2856 |
0.966 |
203 |
1686 |
|
|
22 |
Bg |
1690 |
1459 |
0.863 |
203 |
1687 |
|
|
23 |
Bg |
1507 |
1335 |
0.886 |
203 |
1688 |
|
|
24 |
Bg |
1283 |
1217 |
0.948 |
203 |
1689 |
|
|
25 |
Bg |
1132 |
1110 |
0.981 |
203 |
1690 |
|
|
26 |
Bg |
885 |
853 |
0.963 |
203 |
1691 |
|
|
27 |
Bg |
507 |
490 |
0.967 |
203 |
1692 |
|
|
28 |
Bu |
3032 |
2970 |
0.979 |
203 |
1693 |
|
|
29 |
Bu |
2953 |
2863 |
0.970 |
203 |
1694 |
|
|
30 |
Bu |
1691 |
1457 |
0.862 |
203 |
1695 |
|
|
31 |
Bu |
1500 |
1378 |
0.918 |
203 |
1696 |
|
|
32 |
Bu |
1316 |
1291 |
0.981 |
203 |
1697 |
|
|
33 |
Bu |
945 |
1052 |
1.113 |
203 |
1698 |
|
|
34 |
Bu |
892 |
889 |
0.996 |
203 |
1699 |
|
|
35 |
Bu |
623 |
610 |
0.980 |
203 |
1700 |
|
|
36 |
Bu |
294 |
274 |
0.932 |
203 |
1701 |
C8H8 |
cubane |
1 |
A1g |
3016 |
2995 |
0.993 |
204 |
1702 |
|
|
2 |
A1g |
1245 |
1002 |
0.805 |
204 |
1703 |
|
|
3 |
A2u |
3002 |
2978 |
0.992 |
204 |
1704 |
|
|
4 |
A2u |
1003 |
839 |
0.836 |
204 |
1705 |
|
|
5 |
Eg |
1202 |
1083 |
0.901 |
204 |
1706 |
|
|
6 |
Eg |
777 |
912 |
1.173 |
204 |
1707 |
|
|
7 |
Eu |
839 |
1151 |
1.373 |
204 |
1708 |
|
|
8 |
Eu |
534 |
617 |
1.155 |
204 |
1709 |
|
|
9 |
T1g |
877 |
1130 |
1.288 |
204 |
1710 |
|
|
10 |
T1u |
3008 |
2978 |
0.990 |
204 |
1711 |
|
|
11 |
T1u |
1332 |
1230 |
0.924 |
204 |
1712 |
|
|
12 |
T1u |
749 |
853 |
1.138 |
204 |
1713 |
|
|
13 |
T2g |
3010 |
2970 |
0.987 |
204 |
1714 |
|
|
14 |
T2g |
1437 |
1182 |
0.823 |
204 |
1715 |
|
|
15 |
T2g |
799 |
821 |
1.027 |
204 |
1716 |
|
|
16 |
T2g |
656 |
665 |
1.013 |
204 |
1717 |
|
|
17 |
T2u |
1238 |
1036 |
0.837 |
204 |
1718 |
|
|
18 |
T2u |
781 |
829 |
1.061 |
204 |
1719 |
C5H12 |
Pentane |
1 |
A1 |
3030 |
2973 |
0.981 |
205 |
1720 |
|
|
2 |
A1 |
2974 |
2892 |
0.972 |
205 |
1721 |
|
|
3 |
A1 |
2954 |
2866 |
0.970 |
205 |
1722 |
|
|
4 |
A1 |
2915 |
2866 |
0.983 |
205 |
1723 |
|
|
5 |
A1 |
1709 |
1480 |
0.866 |
205 |
1724 |
|
|
6 |
A1 |
1692 |
1463 |
0.865 |
205 |
1725 |
|
|
7 |
A1 |
1667 |
1450 |
0.870 |
205 |
1726 |
|
|
8 |
A1 |
1654 |
1379 |
0.834 |
205 |
1727 |
|
|
9 |
A1 |
1538 |
1346 |
0.875 |
205 |
1728 |
|
|
10 |
A1 |
1165 |
1144 |
0.982 |
205 |
1729 |
|
|
11 |
A1 |
1090 |
1036 |
0.951 |
205 |
1730 |
|
|
12 |
A1 |
987 |
867 |
0.879 |
205 |
1731 |
|
|
13 |
A1 |
389 |
401 |
1.031 |
205 |
1732 |
|
|
14 |
A1 |
236 |
179 |
0.758 |
205 |
1733 |
|
|
15 |
A2 |
3032 |
2967 |
0.979 |
205 |
1734 |
|
|
16 |
A2 |
3030 |
2908 |
0.960 |
205 |
1735 |
|
|
17 |
A2 |
1680 |
1462 |
0.870 |
205 |
1736 |
|
|
18 |
A2 |
1392 |
1346 |
0.967 |
205 |
1737 |
|
|
19 |
A2 |
1333 |
1269 |
0.952 |
205 |
1738 |
|
|
20 |
A2 |
1112 |
993 |
0.893 |
205 |
1739 |
|
|
21 |
A2 |
894 |
766 |
0.857 |
205 |
1740 |
|
|
22 |
A2 |
269 |
210 |
0.779 |
205 |
1741 |
|
|
23 |
A2 |
125 |
131 |
1.046 |
205 |
1742 |
|
|
24 |
B1 |
3034 |
2965 |
0.977 |
205 |
1743 |
|
|
25 |
B1 |
3031 |
2930 |
0.967 |
205 |
1744 |
|
|
26 |
B1 |
3030 |
2930 |
0.967 |
205 |
1745 |
|
|
27 |
B1 |
1679 |
1469 |
0.875 |
205 |
1746 |
|
|
28 |
B1 |
1382 |
1303 |
0.943 |
205 |
1747 |
|
|
29 |
B1 |
1132 |
1170 |
1.034 |
205 |
1748 |
|
|
30 |
B1 |
988 |
858 |
0.868 |
205 |
1749 |
|
|
31 |
B1 |
851 |
727 |
0.854 |
205 |
1750 |
|
|
32 |
B1 |
264 |
215 |
0.815 |
205 |
1751 |
|
|
33 |
B1 |
130 |
88 |
0.678 |
205 |
1752 |
|
|
34 |
B2 |
3030 |
2965 |
0.979 |
205 |
1753 |
|
|
35 |
B2 |
2964 |
2879 |
0.971 |
205 |
1754 |
|
|
36 |
B2 |
2915 |
2866 |
0.983 |
205 |
1755 |
|
|
37 |
B2 |
1764 |
1476 |
0.837 |
205 |
1756 |
|
|
38 |
B2 |
1696 |
1456 |
0.859 |
205 |
1757 |
|
|
39 |
B2 |
1667 |
1389 |
0.833 |
205 |
1758 |
|
|
40 |
B2 |
1617 |
1379 |
0.853 |
205 |
1759 |
|
|
41 |
B2 |
1472 |
1269 |
0.862 |
205 |
1760 |
|
|
42 |
B2 |
1154 |
1073 |
0.930 |
205 |
1761 |
|
|
43 |
B2 |
1051 |
1024 |
0.974 |
205 |
1762 |
|
|
44 |
B2 |
997 |
910 |
0.913 |
205 |
1763 |
|
|
45 |
B2 |
463 |
406 |
0.877 |
205 |
1764 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
2917 |
2909 |
0.997 |
206 |
1765 |
|
|
2 |
A1 |
1695 |
1381 |
0.815 |
206 |
1766 |
|
|
3 |
A1 |
831 |
733 |
0.882 |
206 |
1767 |
|
|
4 |
A2 |
268 |
198 |
0.739 |
206 |
1768 |
|
|
5 |
E |
3030 |
2955 |
0.975 |
206 |
1769 |
|
|
6 |
E |
1678 |
1451 |
0.864 |
206 |
1770 |
|
|
7 |
E |
1109 |
999 |
0.901 |
206 |
1771 |
|
|
8 |
E |
386 |
335 |
0.869 |
206 |
1772 |
|
|
9 |
T1 |
3026 |
2975 |
0.983 |
206 |
1773 |
|
|
10 |
T1 |
1683 |
1461 |
0.868 |
206 |
1774 |
|
|
11 |
T1 |
1108 |
932 |
0.841 |
206 |
1775 |
|
|
12 |
T1 |
326 |
203 |
0.622 |
206 |
1776 |
|
|
13 |
T2 |
3031 |
2959 |
0.976 |
206 |
1777 |
|
|
14 |
T2 |
2920 |
2876 |
0.985 |
206 |
1778 |
|
|
15 |
T2 |
1729 |
1475 |
0.853 |
206 |
1779 |
|
|
16 |
T2 |
1697 |
1372 |
0.809 |
206 |
1780 |
|
|
17 |
T2 |
1369 |
1256 |
0.917 |
206 |
1781 |
|
|
18 |
T2 |
1023 |
925 |
0.904 |
206 |
1782 |
|
|
19 |
T2 |
484 |
418 |
0.864 |
206 |
1783 |
C6H12 |
Cyclohexane |
1 |
A1g |
3035 |
2930 |
0.966 |
207 |
1784 |
|
|
2 |
A1g |
2980 |
2852 |
0.957 |
207 |
1785 |
|
|
3 |
A1g |
1720 |
1465 |
0.852 |
207 |
1786 |
|
|
4 |
A1g |
1124 |
1157 |
1.030 |
207 |
1787 |
|
|
5 |
A1g |
859 |
802 |
0.933 |
207 |
1788 |
|
|
6 |
A1g |
410 |
383 |
0.934 |
207 |
1789 |
|
|
7 |
A1u |
1679 |
1383 |
0.824 |
207 |
1790 |
|
|
8 |
A1u |
1303 |
1157 |
0.888 |
207 |
1791 |
|
|
9 |
A1u |
1122 |
1057 |
0.942 |
207 |
1792 |
|
|
10 |
A2g |
1454 |
1437 |
0.988 |
207 |
1793 |
|
|
11 |
A2g |
1318 |
1090 |
0.827 |
207 |
1794 |
|
|
12 |
A2u |
3035 |
2915 |
0.961 |
207 |
1795 |
|
|
13 |
A2u |
2948 |
2860 |
0.970 |
207 |
1796 |
|
|
14 |
A2u |
1678 |
1437 |
0.856 |
207 |
1797 |
|
|
15 |
A2u |
920 |
1030 |
1.120 |
207 |
1798 |
|
|
16 |
A2u |
623 |
523 |
0.839 |
207 |
1799 |
|
|
17 |
Eg |
3032 |
2930 |
0.966 |
207 |
1800 |
|
|
18 |
Eg |
2958 |
2897 |
0.979 |
207 |
1801 |
|
|
19 |
Eg |
1716 |
1443 |
0.841 |
207 |
1802 |
|
|
20 |
Eg |
1614 |
1347 |
0.835 |
207 |
1803 |
|
|
21 |
Eg |
1320 |
1266 |
0.959 |
207 |
1804 |
|
|
22 |
Eg |
1124 |
1027 |
0.914 |
207 |
1805 |
|
|
23 |
Eg |
872 |
785 |
0.900 |
207 |
1806 |
|
|
24 |
Eg |
475 |
426 |
0.897 |
207 |
1807 |
|
|
25 |
Eu |
3031 |
2933 |
0.968 |
207 |
1808 |
|
|
26 |
Eu |
2973 |
2863 |
0.963 |
207 |
1809 |
|
|
27 |
Eu |
1716 |
1457 |
0.849 |
207 |
1810 |
|
|
28 |
Eu |
1518 |
1355 |
0.893 |
207 |
1811 |
|
|
29 |
Eu |
1349 |
1261 |
0.935 |
207 |
1812 |
|
|
30 |
Eu |
1009 |
907 |
0.899 |
207 |
1813 |
|
|
31 |
Eu |
941 |
863 |
0.917 |
207 |
1814 |
|
|
32 |
Eu |
254 |
248 |
0.978 |
207 |
1815 |
C6H14 |
Hexane |
1 |
Ag |
3030 |
2966 |
0.979 |
208 |
1816 |
|
|
2 |
Ag |
2976 |
2877 |
0.967 |
208 |
1817 |
|
|
3 |
Ag |
2959 |
2863 |
0.968 |
208 |
1818 |
|
|
4 |
Ag |
2915 |
2852 |
0.978 |
208 |
1819 |
|
|
5 |
Ag |
1776 |
1460 |
0.822 |
208 |
1820 |
|
|
6 |
Ag |
1700 |
1460 |
0.859 |
208 |
1821 |
|
|
7 |
Ag |
1690 |
1440 |
0.852 |
208 |
1822 |
|
|
8 |
Ag |
1667 |
1397 |
0.838 |
208 |
1823 |
|
|
9 |
Ag |
1634 |
1366 |
0.836 |
208 |
1824 |
|
|
10 |
Ag |
1510 |
1305 |
0.864 |
208 |
1825 |
|
|
11 |
Ag |
1159 |
1140 |
0.984 |
208 |
1826 |
|
|
12 |
Ag |
1097 |
1065 |
0.971 |
208 |
1827 |
|
|
13 |
Ag |
1057 |
1007 |
0.953 |
208 |
1828 |
|
|
14 |
Ag |
1006 |
901 |
0.896 |
208 |
1829 |
|
|
15 |
Ag |
399 |
371 |
0.929 |
208 |
1830 |
|
|
16 |
Ag |
322 |
305 |
0.947 |
208 |
1831 |
|
|
17 |
Au |
3032 |
2967 |
0.978 |
208 |
1832 |
|
|
18 |
Au |
3031 |
2936 |
0.969 |
208 |
1833 |
|
|
19 |
Au |
3030 |
2920 |
0.964 |
208 |
1834 |
|
|
20 |
Au |
1680 |
1460 |
0.869 |
208 |
1835 |
|
|
21 |
Au |
1404 |
1303 |
0.928 |
208 |
1836 |
|
|
22 |
Au |
1353 |
1222 |
0.903 |
208 |
1837 |
|
|
23 |
Au |
1119 |
1010 |
0.903 |
208 |
1838 |
|
|
24 |
Au |
930 |
824 |
0.886 |
208 |
1839 |
|
|
25 |
Au |
848 |
726 |
0.856 |
208 |
1840 |
|
|
26 |
Au |
272 |
216 |
0.793 |
208 |
1841 |
|
|
27 |
Au |
120 |
94 |
0.781 |
208 |
1842 |
|
|
28 |
Au |
88 |
61 |
0.697 |
208 |
1843 |
|
|
29 |
Bg |
3034 |
2966 |
0.978 |
208 |
1844 |
|
|
30 |
Bg |
3031 |
2908 |
0.960 |
208 |
1845 |
|
|
31 |
Bg |
3030 |
2908 |
0.960 |
208 |
1846 |
|
|
32 |
Bg |
1680 |
1460 |
0.869 |
208 |
1847 |
|
|
33 |
Bg |
1404 |
1305 |
0.930 |
208 |
1848 |
|
|
34 |
Bg |
1338 |
1283 |
0.959 |
208 |
1849 |
|
|
35 |
Bg |
1128 |
1168 |
1.036 |
208 |
1850 |
|
|
36 |
Bg |
1014 |
894 |
0.881 |
208 |
1851 |
|
|
37 |
Bg |
869 |
740 |
0.851 |
208 |
1852 |
|
|
38 |
Bg |
261 |
208 |
0.796 |
208 |
1853 |
|
|
39 |
Bg |
167 |
125 |
0.748 |
208 |
1854 |
|
|
40 |
Bu |
3030 |
2967 |
0.979 |
208 |
1855 |
|
|
41 |
Bu |
2968 |
2884 |
0.972 |
208 |
1856 |
|
|
42 |
Bu |
2952 |
2867 |
0.971 |
208 |
1857 |
|
|
43 |
Bu |
2915 |
2851 |
0.978 |
208 |
1858 |
|
|
44 |
Bu |
1720 |
1476 |
0.858 |
208 |
1859 |
|
|
45 |
Bu |
1693 |
1465 |
0.865 |
208 |
1860 |
|
|
46 |
Bu |
1667 |
1452 |
0.871 |
208 |
1861 |
|
|
47 |
Bu |
1657 |
1387 |
0.837 |
208 |
1862 |
|
|
48 |
Bu |
1582 |
1375 |
0.869 |
208 |
1863 |
|
|
49 |
Bu |
1468 |
1249 |
0.851 |
208 |
1864 |
|
|
50 |
Bu |
1164 |
1061 |
0.912 |
208 |
1865 |
|
|
51 |
Bu |
1081 |
1035 |
0.958 |
208 |
1866 |
|
|
52 |
Bu |
974 |
888 |
0.912 |
208 |
1867 |
|
|
53 |
Bu |
506 |
470 |
0.928 |
208 |
1868 |
|
|
54 |
Bu |
177 |
139 |
0.783 |
208 |
1869 |