H2 |
Hydrogen diatomic |
1 |
Σg |
5147 |
4161 |
0.808 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1750 |
1360 |
0.777 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
388 |
346 |
0.892 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
2042 |
1133 |
0.555 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
488 |
158 |
0.323 |
5 |
5 |
BH |
Boron monohydride |
1 |
Σ |
2650 |
2269 |
0.856 |
6 |
6 |
CH |
Methylidyne |
1 |
Σ |
2989 |
2733 |
0.914 |
7 |
7 |
|
|
1 |
Σ |
3416 |
|
|
7 |
8 |
C2 |
Carbon diatomic |
1 |
Σg |
2070 |
1827 |
0.883 |
8 |
9 |
SiH |
Silylidyne |
1 |
Σ |
2452 |
1971 |
0.804 |
9 |
10 |
NH |
Imidogen |
1 |
Σ |
3323 |
3126 |
0.941 |
10 |
11 |
CN |
Cyano radical |
1 |
Σ |
2188 |
2042 |
0.933 |
11 |
12 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2292 |
2330 |
1.016 |
12 |
13 |
|
|
1 |
Σg |
1528 |
1733 |
1.134 |
12 |
14 |
PN |
Phosphorus mononitride |
1 |
Σ |
1463 |
1323 |
0.904 |
13 |
15 |
P2 |
Phosphorus diatomic |
1 |
Σg |
963 |
775 |
0.805 |
14 |
16 |
OH |
Hydroxyl radical |
1 |
Σ |
3666 |
3570 |
0.974 |
15 |
17 |
BeO |
beryllium oxide |
1 |
Σ |
1683 |
1435 |
0.852 |
16 |
18 |
BO |
boron monoxide |
1 |
Σ |
2037 |
1862 |
0.914 |
17 |
19 |
CO |
Carbon monoxide |
1 |
Σ |
2162 |
2143 |
0.991 |
18 |
20 |
|
|
1 |
Σ |
1804 |
|
|
18 |
21 |
MgO |
magnesium oxide |
1 |
Σ |
1028 |
775 |
0.754 |
19 |
22 |
SiO |
Silicon monoxide |
1 |
Σ |
1316 |
1230 |
0.934 |
20 |
23 |
HS |
Mercapto radical |
1 |
Σ |
2998 |
2599 |
0.867 |
21 |
24 |
BS |
boron sulfide |
1 |
Σ |
1400 |
1167 |
0.834 |
22 |
25 |
SO |
Sulfur monoxide |
1 |
Σ |
1195 |
1138 |
0.952 |
23 |
26 |
|
|
1 |
Σ |
1186 |
1054 |
0.889 |
23 |
27 |
AlS |
Aluminum sulfide |
1 |
Σ |
770 |
610 |
0.793 |
24 |
28 |
SiS |
silicon monosulfide |
1 |
Σ |
897 |
744 |
0.830 |
25 |
29 |
S2 |
Sulfur diatomic |
1 |
Σg |
827 |
720 |
0.871 |
26 |
30 |
HF |
Hydrogen fluoride |
1 |
Σ |
3980 |
3961 |
0.995 |
27 |
31 |
LiF |
lithium fluoride |
1 |
Σ |
1172 |
896 |
0.764 |
28 |
32 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1460 |
|
|
29 |
33 |
CF |
Fluoromethylidyne |
1 |
Σ |
1448 |
1286 |
0.888 |
30 |
34 |
NF |
nitrogen fluoride |
1 |
Σ |
1401 |
1123 |
0.802 |
31 |
35 |
F2 |
Fluorine diatomic |
1 |
Σg |
1438 |
894 |
0.622 |
32 |
36 |
NaF |
sodium fluoride |
1 |
Σ |
868 |
529 |
0.609 |
33 |
37 |
AlF |
Aluminum monofluoride |
1 |
Σ |
939 |
793 |
0.845 |
34 |
38 |
SiF |
silicon monofluoride |
1 |
Σ |
942 |
848 |
0.900 |
35 |
39 |
SF |
Monosulfur monofluoride |
1 |
Σ |
978 |
829 |
0.848 |
36 |
40 |
HCl |
Hydrogen chloride |
1 |
Σ |
3121 |
2886 |
0.925 |
37 |
41 |
LiCl |
lithium chloride |
1 |
Σ |
796 |
634 |
0.797 |
38 |
42 |
BeCl |
beryllium monochloride |
1 |
Σ |
944 |
847 |
0.897 |
39 |
43 |
ClO |
Monochlorine monoxide |
1 |
Σ |
902 |
843 |
0.934 |
40 |
44 |
ClF |
Chlorine monofluoride |
1 |
Σ |
902 |
773 |
0.857 |
41 |
45 |
NaCl |
Sodium Chloride |
1 |
Σ |
526 |
361 |
0.687 |
42 |
46 |
AlCl |
Aluminum monochloride |
1 |
Σ |
536 |
478 |
0.891 |
43 |
47 |
SCl |
sulfur monochloride |
1 |
Σ |
634 |
577 |
0.910 |
44 |
48 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
620 |
554 |
0.894 |
45 |
49 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2627 |
2159 |
0.822 |
46 |
50 |
|
|
3 |
Πu |
763 |
698 |
0.914 |
46 |
51 |
MgH2 |
magnesium dihydride |
2 |
Σu |
2384 |
1572 |
0.659 |
47 |
52 |
|
|
3 |
Πu |
569 |
440 |
0.773 |
47 |
53 |
BH2 |
boron dihydride |
2 |
A1 |
1215 |
954 |
0.785 |
48 |
54 |
SiH2 |
silicon dihydride |
1 |
A1 |
2495 |
1996 |
0.800 |
49 |
55 |
|
|
2 |
A1 |
1340 |
999 |
0.746 |
49 |
56 |
|
|
3 |
B2 |
2524 |
1993 |
0.790 |
49 |
57 |
NH2 |
Amino radical |
1 |
A1 |
3370 |
3219 |
0.955 |
50 |
58 |
|
|
2 |
A1 |
1837 |
1497 |
0.815 |
50 |
59 |
|
|
3 |
B2 |
3554 |
3301 |
0.929 |
50 |
60 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3657 |
3312 |
0.906 |
51 |
61 |
|
|
2 |
Σ |
2248 |
2089 |
0.929 |
51 |
62 |
|
|
3 |
Π |
815 |
712 |
0.874 |
51 |
63 |
H2O |
Water |
1 |
A1 |
3710 |
3657 |
0.986 |
52 |
64 |
|
|
2 |
A1 |
2037 |
1595 |
0.783 |
52 |
65 |
|
|
3 |
B2 |
3939 |
3756 |
0.954 |
52 |
66 |
HCO |
Formyl radical |
1 |
A' |
3025 |
2434 |
0.805 |
53 |
67 |
|
|
2 |
A' |
1943 |
1868 |
0.961 |
53 |
68 |
|
|
3 |
A' |
1159 |
1081 |
0.932 |
53 |
69 |
HNO |
Nitrosyl hydride |
1 |
A' |
3012 |
2684 |
0.891 |
54 |
70 |
|
|
2 |
A' |
1673 |
1565 |
0.936 |
54 |
71 |
|
|
3 |
A' |
1598 |
1501 |
0.939 |
54 |
72 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3517 |
3436 |
0.977 |
55 |
73 |
|
|
2 |
A' |
1526 |
1392 |
0.912 |
55 |
74 |
|
|
3 |
A' |
1336 |
1098 |
0.821 |
55 |
75 |
CO2 |
Carbon dioxide |
1 |
Σg |
1303 |
1333 |
1.023 |
56 |
76 |
|
|
2 |
Σu |
2444 |
2349 |
0.961 |
56 |
77 |
|
|
3 |
Πu |
503 |
667 |
1.326 |
56 |
78 |
N2O |
Nitrous oxide |
1 |
Σ |
2276 |
2224 |
0.977 |
57 |
79 |
|
|
2 |
Σ |
1252 |
1285 |
1.027 |
57 |
80 |
|
|
3 |
Π |
446 |
589 |
1.320 |
57 |
81 |
SiO2 |
silicon dioxide |
2 |
Σu |
1325 |
1416 |
1.069 |
58 |
82 |
|
|
3 |
Πu |
118 |
273 |
2.306 |
58 |
83 |
H2S |
Hydrogen sulfide |
1 |
A1 |
3017 |
2615 |
0.867 |
59 |
84 |
|
|
2 |
A1 |
1476 |
1183 |
0.802 |
59 |
85 |
|
|
3 |
B2 |
3068 |
2626 |
0.856 |
59 |
86 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2238 |
2062 |
0.921 |
60 |
87 |
|
|
2 |
Σ |
938 |
859 |
0.916 |
60 |
88 |
|
|
3 |
Π |
458 |
520 |
1.136 |
60 |
89 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1023 |
1151 |
1.126 |
61 |
90 |
|
|
2 |
A1 |
419 |
518 |
1.235 |
61 |
91 |
|
|
3 |
B2 |
1087 |
1362 |
1.253 |
61 |
92 |
CS2 |
Carbon disulfide |
1 |
Σg |
728 |
658 |
0.904 |
62 |
93 |
|
|
2 |
Σu |
1838 |
1535 |
0.835 |
62 |
94 |
|
|
3 |
Πu |
396 |
397 |
1.001 |
62 |
95 |
SSO |
Disulfur monoxide |
1 |
A' |
1049 |
1166 |
1.112 |
63 |
96 |
|
|
2 |
A' |
706 |
679 |
0.961 |
63 |
97 |
|
|
3 |
A' |
337 |
380 |
1.128 |
63 |
98 |
HOF |
Hypofluorous acid |
1 |
A' |
3634 |
3578 |
0.985 |
64 |
99 |
|
|
2 |
A' |
1500 |
1362 |
0.908 |
64 |
100 |
|
|
3 |
A' |
1344 |
893 |
0.665 |
64 |
101 |
CF2 |
Difluoromethylene |
1 |
A1 |
1334 |
1225 |
0.918 |
65 |
102 |
|
|
2 |
A1 |
631 |
667 |
1.056 |
65 |
103 |
|
|
3 |
B2 |
1297 |
1114 |
0.859 |
65 |
104 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1681 |
1844 |
1.097 |
66 |
105 |
|
|
2 |
A' |
1181 |
766 |
0.649 |
66 |
106 |
|
|
3 |
A' |
643 |
520 |
0.809 |
66 |
107 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1294 |
1075 |
0.831 |
67 |
108 |
|
|
2 |
A1 |
545 |
573 |
1.051 |
67 |
109 |
|
|
3 |
B2 |
1257 |
942 |
0.749 |
67 |
110 |
F2O |
Difluorine monoxide |
1 |
A1 |
1305 |
928 |
0.711 |
68 |
111 |
|
|
2 |
A1 |
498 |
461 |
0.926 |
68 |
112 |
|
|
3 |
B2 |
1272 |
831 |
0.653 |
68 |
113 |
HOCl |
hypochlorous acid |
1 |
A' |
3744 |
3609 |
0.964 |
69 |
114 |
|
|
2 |
A' |
1377 |
1239 |
0.899 |
69 |
115 |
|
|
3 |
A' |
871 |
724 |
0.832 |
69 |
116 |
ClCN |
chlorocyanogen |
1 |
Σ |
2389 |
2216 |
0.928 |
70 |
117 |
|
|
2 |
Σ |
734 |
744 |
1.014 |
70 |
118 |
|
|
3 |
Π |
375 |
378 |
1.008 |
70 |
119 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1802 |
1800 |
0.999 |
71 |
120 |
|
|
2 |
A' |
735 |
596 |
0.811 |
71 |
121 |
|
|
3 |
A' |
433 |
332 |
0.767 |
71 |
122 |
OClO |
Chlorine dioxide |
1 |
A1 |
755 |
946 |
1.252 |
72 |
123 |
|
|
2 |
A1 |
253 |
448 |
1.769 |
72 |
124 |
|
|
3 |
B2 |
732 |
1110 |
1.516 |
72 |
125 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
786 |
639 |
0.813 |
73 |
126 |
|
|
2 |
A1 |
290 |
296 |
1.020 |
73 |
127 |
|
|
3 |
B2 |
855 |
686 |
0.803 |
73 |
128 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
587 |
522 |
0.889 |
74 |
129 |
|
|
2 |
A1 |
213 |
201 |
0.943 |
74 |
130 |
|
|
3 |
B2 |
581 |
509 |
0.876 |
74 |
131 |
BH3 |
boron trihydride |
2 |
A2" |
1241 |
1148 |
0.924 |
75 |
132 |
|
|
3 |
E' |
3165 |
2602 |
0.822 |
75 |
133 |
|
|
4 |
E' |
1372 |
1197 |
0.872 |
75 |
134 |
C2H2 |
Acetylene |
1 |
Σg |
3791 |
3374 |
0.890 |
76 |
135 |
|
|
2 |
Σg |
2271 |
1974 |
0.869 |
76 |
136 |
|
|
3 |
Σu |
3641 |
3289 |
0.903 |
76 |
137 |
|
|
4 |
Πg |
752 |
612 |
0.813 |
76 |
138 |
|
|
5 |
Πu |
853 |
730 |
0.856 |
76 |
139 |
NH3 |
Ammonia |
1 |
A1 |
3481 |
3337 |
0.959 |
77 |
140 |
|
|
2 |
A1 |
1367 |
950 |
0.695 |
77 |
141 |
|
|
3 |
E |
3749 |
3444 |
0.919 |
77 |
142 |
|
|
4 |
E |
1955 |
1627 |
0.832 |
77 |
143 |
C2N2 |
Cyanogen |
1 |
Σg |
2446 |
2330 |
0.952 |
78 |
144 |
|
|
2 |
Σg |
875 |
846 |
0.967 |
78 |
145 |
|
|
3 |
Σu |
2274 |
2158 |
0.949 |
78 |
146 |
|
|
4 |
Πg |
585 |
503 |
0.860 |
78 |
147 |
|
|
5 |
Πu |
244 |
234 |
0.957 |
78 |
148 |
PH3 |
Phosphine |
1 |
A1 |
2795 |
2323 |
0.831 |
79 |
149 |
|
|
2 |
A1 |
1327 |
992 |
0.748 |
79 |
150 |
|
|
3 |
E |
2854 |
2328 |
0.816 |
79 |
151 |
|
|
4 |
E |
1413 |
1118 |
0.791 |
79 |
152 |
P4 |
Phosphorus tetramer |
1 |
A1 |
783 |
601 |
0.767 |
80 |
153 |
|
|
2 |
E |
459 |
361 |
0.786 |
80 |
154 |
|
|
3 |
T2 |
595 |
467 |
0.785 |
80 |
155 |
H2CO |
Formaldehyde |
1 |
A1 |
3196 |
2782 |
0.870 |
81 |
156 |
|
|
2 |
A1 |
1898 |
1746 |
0.920 |
81 |
157 |
|
|
3 |
A1 |
1641 |
1500 |
0.914 |
81 |
158 |
|
|
4 |
B1 |
1153 |
1167 |
1.012 |
81 |
159 |
|
|
5 |
B2 |
3318 |
2843 |
0.857 |
81 |
160 |
|
|
6 |
B2 |
1290 |
1249 |
0.969 |
81 |
161 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3677 |
3599 |
0.979 |
82 |
162 |
|
|
2 |
A |
1578 |
1402 |
0.888 |
82 |
163 |
|
|
3 |
A |
1259 |
877 |
0.697 |
82 |
164 |
|
|
4 |
A |
157 |
371 |
2.365 |
82 |
165 |
|
|
5 |
B |
3688 |
3608 |
0.978 |
82 |
166 |
|
|
6 |
B |
1420 |
1266 |
0.892 |
82 |
167 |
HNCO |
Isocyanic acid |
1 |
A' |
3670 |
3538 |
0.964 |
83 |
168 |
|
|
2 |
A' |
2379 |
2269 |
0.954 |
83 |
169 |
|
|
3 |
A' |
1280 |
1327 |
1.037 |
83 |
170 |
|
|
4 |
A' |
940 |
777 |
0.826 |
83 |
171 |
|
|
5 |
A' |
500 |
577 |
1.155 |
83 |
172 |
|
|
6 |
A" |
531 |
656 |
1.237 |
83 |
173 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2264 |
2060 |
0.910 |
84 |
174 |
|
|
2 |
Σg |
674 |
585 |
0.868 |
84 |
175 |
|
|
3 |
Σu |
2079 |
1898 |
0.913 |
84 |
176 |
|
|
4 |
Πg |
552 |
410 |
0.742 |
84 |
177 |
|
|
5 |
Πu |
223 |
213 |
0.953 |
84 |
178 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3311 |
2971 |
0.897 |
85 |
179 |
|
|
2 |
A1 |
1703 |
1456 |
0.855 |
85 |
180 |
|
|
3 |
A1 |
1238 |
1059 |
0.856 |
85 |
181 |
|
|
4 |
B1 |
1040 |
990 |
0.952 |
85 |
182 |
|
|
5 |
B2 |
3443 |
3025 |
0.878 |
85 |
183 |
|
|
6 |
B2 |
1114 |
991 |
0.889 |
85 |
184 |
H2S2 |
Disulfane |
1 |
A |
2955 |
2556 |
0.865 |
86 |
185 |
|
|
2 |
A |
1018 |
882 |
0.866 |
86 |
186 |
|
|
3 |
A |
629 |
515 |
0.818 |
86 |
187 |
|
|
4 |
A |
342 |
417 |
1.222 |
86 |
188 |
|
|
5 |
B |
2957 |
2559 |
0.865 |
86 |
189 |
|
|
6 |
B |
1023 |
878 |
0.858 |
86 |
190 |
SO3 |
Sulfur trioxide |
1 |
A1' |
807 |
1065 |
1.320 |
87 |
191 |
|
|
2 |
A2" |
178 |
498 |
2.802 |
87 |
192 |
|
|
3 |
E' |
1040 |
1391 |
1.338 |
87 |
193 |
|
|
4 |
E' |
286 |
530 |
1.856 |
87 |
194 |
BHF2 |
Difluoroborane |
1 |
A1 |
3025 |
2621 |
0.866 |
88 |
195 |
|
|
2 |
A1 |
1259 |
1164 |
0.925 |
88 |
196 |
|
|
3 |
A1 |
564 |
542 |
0.962 |
88 |
197 |
|
|
4 |
B1 |
942 |
924 |
0.980 |
88 |
198 |
|
|
5 |
B2 |
1643 |
1402 |
0.854 |
88 |
199 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1960 |
1928 |
0.984 |
89 |
200 |
|
|
2 |
A1 |
989 |
965 |
0.976 |
89 |
201 |
|
|
3 |
A1 |
503 |
584 |
1.162 |
89 |
202 |
|
|
4 |
B1 |
639 |
774 |
1.210 |
89 |
203 |
|
|
5 |
B2 |
1393 |
1249 |
0.897 |
89 |
204 |
|
|
6 |
B2 |
547 |
626 |
1.145 |
89 |
205 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
927 |
888 |
0.958 |
90 |
206 |
|
|
2 |
A2" |
640 |
691 |
1.079 |
90 |
207 |
|
|
3 |
E' |
1593 |
1449 |
0.909 |
90 |
208 |
|
|
4 |
E' |
483 |
480 |
0.993 |
90 |
209 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1368 |
1523 |
1.113 |
91 |
210 |
|
|
2 |
Ag |
1308 |
1018 |
0.778 |
91 |
211 |
|
|
3 |
Ag |
602 |
603 |
1.002 |
91 |
212 |
|
|
4 |
Au |
331 |
364 |
1.100 |
91 |
213 |
|
|
5 |
Bu |
1295 |
991 |
0.765 |
91 |
214 |
|
|
6 |
Bu |
369 |
423 |
1.145 |
91 |
215 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1069 |
1089 |
1.019 |
92 |
216 |
|
|
2 |
A1 |
613 |
701 |
1.143 |
92 |
217 |
|
|
3 |
E |
1370 |
1260 |
0.920 |
92 |
218 |
|
|
4 |
E |
454 |
509 |
1.120 |
92 |
219 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1176 |
1032 |
0.878 |
93 |
220 |
|
|
2 |
A1 |
602 |
647 |
1.075 |
93 |
221 |
|
|
3 |
E |
1159 |
907 |
0.782 |
93 |
222 |
|
|
4 |
E |
440 |
492 |
1.119 |
93 |
223 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
726 |
690 |
0.951 |
94 |
224 |
|
|
2 |
A2" |
238 |
297 |
1.248 |
94 |
225 |
|
|
3 |
E' |
1062 |
935 |
0.881 |
94 |
226 |
|
|
4 |
E' |
232 |
263 |
1.135 |
94 |
227 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
893 |
892 |
0.999 |
95 |
228 |
|
|
2 |
A1 |
421 |
487 |
1.157 |
95 |
229 |
|
|
3 |
E |
865 |
860 |
0.995 |
95 |
230 |
|
|
4 |
E |
316 |
344 |
1.089 |
95 |
231 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
3103 |
2617 |
0.843 |
96 |
232 |
|
|
2 |
A1 |
794 |
740 |
0.932 |
96 |
233 |
|
|
4 |
B1 |
809 |
784 |
0.969 |
96 |
234 |
|
|
5 |
B2 |
1235 |
1089 |
0.882 |
96 |
235 |
|
|
6 |
B2 |
1019 |
892 |
0.875 |
96 |
236 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1326 |
1267 |
0.956 |
97 |
237 |
|
|
2 |
A1 |
723 |
793 |
1.097 |
97 |
238 |
|
|
3 |
A1 |
417 |
364 |
0.873 |
97 |
239 |
|
|
4 |
B1 |
529 |
652 |
1.232 |
97 |
240 |
|
|
5 |
B2 |
1770 |
1684 |
0.951 |
97 |
241 |
|
|
6 |
B2 |
359 |
408 |
1.138 |
97 |
242 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
645 |
752 |
1.165 |
98 |
243 |
|
|
2 |
A1 |
509 |
529 |
1.038 |
98 |
244 |
|
|
3 |
A1 |
303 |
328 |
1.081 |
98 |
245 |
|
|
4 |
B1 |
212 |
328 |
1.548 |
98 |
246 |
|
|
5 |
B2 |
769 |
702 |
0.913 |
98 |
247 |
|
|
6 |
B2 |
351 |
442 |
1.261 |
98 |
248 |
CCl2O |
Phosgene |
1 |
A1 |
1970 |
1827 |
0.928 |
99 |
249 |
|
|
2 |
A1 |
599 |
567 |
0.947 |
99 |
250 |
|
|
3 |
A1 |
280 |
285 |
1.020 |
99 |
251 |
|
|
4 |
B1 |
526 |
580 |
1.103 |
99 |
252 |
|
|
5 |
B2 |
927 |
849 |
0.916 |
99 |
253 |
|
|
6 |
B2 |
427 |
440 |
1.029 |
99 |
254 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
920 |
820 |
0.891 |
100 |
255 |
|
|
2 |
A1 |
544 |
500 |
0.919 |
100 |
256 |
|
|
3 |
A1 |
226 |
250 |
1.105 |
100 |
257 |
|
|
4 |
B1 |
230 |
260 |
1.131 |
100 |
258 |
|
|
5 |
B2 |
1082 |
900 |
0.832 |
100 |
259 |
|
|
6 |
B2 |
198 |
200 |
1.011 |
100 |
260 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
503 |
471 |
0.936 |
101 |
261 |
|
|
2 |
A2" |
454 |
460 |
1.014 |
101 |
262 |
|
|
3 |
E' |
1092 |
956 |
0.876 |
101 |
263 |
|
|
4 |
E' |
264 |
243 |
0.922 |
101 |
264 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
1024 |
850 |
0.830 |
102 |
265 |
|
|
2 |
A1 |
482 |
450 |
0.934 |
102 |
266 |
|
|
3 |
A1 |
164 |
150 |
0.914 |
102 |
267 |
|
|
4 |
B1 |
220 |
220 |
1.001 |
102 |
268 |
|
|
5 |
B2 |
716 |
610 |
0.851 |
102 |
269 |
|
|
6 |
B2 |
211 |
200 |
0.949 |
102 |
270 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
430 |
375 |
0.872 |
103 |
271 |
|
|
2 |
A2" |
203 |
183 |
0.903 |
103 |
272 |
|
|
3 |
E' |
727 |
595 |
0.818 |
103 |
273 |
|
|
4 |
E' |
159 |
150 |
0.946 |
103 |
274 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
567 |
504 |
0.889 |
104 |
275 |
|
|
2 |
A1 |
249 |
252 |
1.010 |
104 |
276 |
|
|
3 |
E |
570 |
482 |
0.846 |
104 |
277 |
|
|
4 |
E |
180 |
198 |
1.102 |
104 |
278 |
CH4 |
Methane |
1 |
A1 |
3327 |
2917 |
0.877 |
105 |
279 |
|
|
2 |
E |
1776 |
1534 |
0.864 |
105 |
280 |
|
|
3 |
T2 |
3574 |
3019 |
0.845 |
105 |
281 |
|
|
4 |
T2 |
1544 |
1306 |
0.846 |
105 |
282 |
SiH4 |
Silane |
1 |
A1 |
2678 |
2187 |
0.817 |
106 |
283 |
|
|
2 |
E |
1163 |
975 |
0.838 |
106 |
284 |
|
|
3 |
T2 |
2750 |
2191 |
0.797 |
106 |
285 |
|
|
4 |
T2 |
1056 |
914 |
0.865 |
106 |
286 |
CH2NH |
Methanimine |
1 |
A' |
3527 |
3263 |
0.925 |
107 |
287 |
|
|
2 |
A' |
3496 |
3024 |
0.865 |
107 |
288 |
|
|
3 |
A' |
3343 |
2914 |
0.872 |
107 |
289 |
|
|
4 |
A' |
1796 |
1638 |
0.912 |
107 |
290 |
|
|
5 |
A' |
1575 |
1452 |
0.922 |
107 |
291 |
|
|
6 |
A' |
1490 |
1344 |
0.902 |
107 |
292 |
|
|
7 |
A' |
1119 |
1058 |
0.946 |
107 |
293 |
|
|
8 |
A" |
1245 |
1127 |
0.905 |
107 |
294 |
|
|
9 |
A" |
1082 |
1061 |
0.981 |
107 |
295 |
CH2CO |
Ketene |
1 |
A1 |
3454 |
3070 |
0.889 |
108 |
296 |
|
|
2 |
A1 |
2354 |
2152 |
0.914 |
108 |
297 |
|
|
3 |
A1 |
1546 |
1388 |
0.898 |
108 |
298 |
|
|
4 |
A1 |
1212 |
1118 |
0.922 |
108 |
299 |
|
|
5 |
B1 |
705 |
588 |
0.835 |
108 |
300 |
|
|
6 |
B1 |
474 |
528 |
1.114 |
108 |
301 |
|
|
7 |
B2 |
3605 |
3166 |
0.878 |
108 |
302 |
|
|
8 |
B2 |
1062 |
977 |
0.920 |
108 |
303 |
|
|
9 |
B2 |
413 |
433 |
1.049 |
108 |
304 |
HCOOH |
Formic acid |
1 |
A' |
3785 |
3570 |
0.943 |
109 |
305 |
|
|
2 |
A' |
3304 |
2943 |
0.891 |
109 |
306 |
|
|
3 |
A' |
1914 |
1770 |
0.925 |
109 |
307 |
|
|
4 |
A' |
1501 |
1387 |
0.924 |
109 |
308 |
|
|
5 |
A' |
1424 |
1229 |
0.863 |
109 |
309 |
|
|
6 |
A' |
1148 |
1105 |
0.962 |
109 |
310 |
|
|
7 |
A' |
566 |
625 |
1.104 |
109 |
311 |
|
|
8 |
A" |
997 |
1033 |
1.036 |
109 |
312 |
|
|
9 |
A" |
673 |
638 |
0.948 |
109 |
313 |
HNO3 |
Nitric acid |
1 |
A' |
3728 |
3550 |
0.952 |
110 |
314 |
|
|
2 |
A' |
1775 |
1708 |
0.962 |
110 |
315 |
|
|
3 |
A' |
1354 |
1331 |
0.983 |
110 |
316 |
|
|
4 |
A' |
1339 |
1325 |
0.989 |
110 |
317 |
|
|
5 |
A' |
951 |
879 |
0.925 |
110 |
318 |
|
|
6 |
A' |
537 |
647 |
1.205 |
110 |
319 |
|
|
7 |
A' |
439 |
579 |
1.320 |
110 |
320 |
|
|
8 |
A" |
571 |
762 |
1.335 |
110 |
321 |
|
|
9 |
A" |
487 |
456 |
0.936 |
110 |
322 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2342 |
2196 |
0.938 |
111 |
323 |
|
|
2 |
Σg |
797 |
786 |
0.986 |
111 |
324 |
|
|
3 |
Σu |
2566 |
2258 |
0.880 |
111 |
325 |
|
|
4 |
Σu |
1636 |
1573 |
0.961 |
111 |
326 |
|
|
5 |
Πg |
524 |
573 |
1.094 |
111 |
327 |
|
|
6 |
Πu |
526 |
550 |
1.045 |
111 |
328 |
|
|
7 |
Πu |
132 |
61 |
0.463 |
111 |
329 |
CH3F |
Methyl fluoride |
1 |
A1 |
3251 |
2930 |
0.901 |
112 |
330 |
|
|
2 |
A1 |
1646 |
1464 |
0.889 |
112 |
331 |
|
|
3 |
A1 |
1221 |
1049 |
0.859 |
112 |
332 |
|
|
4 |
E |
3404 |
3006 |
0.883 |
112 |
333 |
|
|
5 |
E |
1674 |
1467 |
0.876 |
112 |
334 |
|
|
6 |
E |
1233 |
1182 |
0.958 |
112 |
335 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3175 |
2948 |
0.928 |
113 |
336 |
|
|
2 |
A1 |
1660 |
1508 |
0.909 |
113 |
337 |
|
|
3 |
A1 |
1175 |
1111 |
0.946 |
113 |
338 |
|
|
4 |
A1 |
497 |
529 |
1.064 |
113 |
339 |
|
|
5 |
A2 |
1297 |
1262 |
0.973 |
113 |
340 |
|
|
6 |
B1 |
3264 |
3014 |
0.923 |
113 |
341 |
|
|
7 |
B1 |
1156 |
1178 |
1.019 |
113 |
342 |
|
|
8 |
B2 |
1544 |
1435 |
0.930 |
113 |
343 |
|
|
9 |
B2 |
1227 |
1090 |
0.889 |
113 |
344 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3144 |
3036 |
0.966 |
114 |
345 |
|
|
2 |
A1 |
1119 |
1117 |
0.998 |
114 |
346 |
|
|
3 |
A1 |
638 |
700 |
1.097 |
114 |
347 |
|
|
4 |
E |
1458 |
1372 |
0.941 |
114 |
348 |
|
|
5 |
E |
1217 |
1152 |
0.947 |
114 |
349 |
|
|
6 |
E |
446 |
507 |
1.136 |
114 |
350 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
885 |
909 |
1.026 |
115 |
351 |
|
|
2 |
E |
363 |
435 |
1.197 |
115 |
352 |
|
|
3 |
T2 |
1342 |
1283 |
0.956 |
115 |
353 |
|
|
4 |
T2 |
542 |
631 |
1.165 |
115 |
354 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
703 |
800 |
1.138 |
116 |
355 |
|
|
2 |
E |
223 |
268 |
1.199 |
116 |
356 |
|
|
3 |
T2 |
999 |
1032 |
1.033 |
116 |
357 |
|
|
4 |
T2 |
319 |
389 |
1.220 |
116 |
358 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1200 |
1417 |
1.181 |
117 |
359 |
|
|
2 |
A1 |
730 |
873 |
1.196 |
117 |
360 |
|
|
3 |
A1 |
348 |
472 |
1.355 |
117 |
361 |
|
|
4 |
E |
879 |
991 |
1.127 |
117 |
362 |
|
|
5 |
E |
302 |
482 |
1.594 |
117 |
363 |
|
|
6 |
E |
226 |
336 |
1.488 |
117 |
364 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3354 |
2966 |
0.884 |
118 |
365 |
|
|
2 |
A1 |
1511 |
1355 |
0.896 |
118 |
366 |
|
|
3 |
A1 |
860 |
732 |
0.851 |
118 |
367 |
|
|
4 |
E |
3547 |
3042 |
0.857 |
118 |
368 |
|
|
5 |
E |
1642 |
1455 |
0.886 |
118 |
369 |
|
|
6 |
E |
1093 |
1015 |
0.929 |
118 |
370 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2674 |
2201 |
0.823 |
119 |
371 |
|
|
2 |
A1 |
1052 |
949 |
0.902 |
119 |
372 |
|
|
3 |
A1 |
609 |
551 |
0.904 |
119 |
373 |
|
|
4 |
E |
2738 |
2195 |
0.802 |
119 |
374 |
|
|
5 |
E |
1089 |
954 |
0.876 |
119 |
375 |
|
|
6 |
E |
729 |
664 |
0.911 |
119 |
376 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3378 |
2999 |
0.888 |
120 |
377 |
|
|
2 |
A1 |
1576 |
1467 |
0.931 |
120 |
378 |
|
|
3 |
A1 |
787 |
717 |
0.911 |
120 |
379 |
|
|
4 |
A1 |
282 |
282 |
0.999 |
120 |
380 |
|
|
5 |
A2 |
1233 |
1153 |
0.935 |
120 |
381 |
|
|
6 |
B1 |
3515 |
3040 |
0.865 |
120 |
382 |
|
|
7 |
B1 |
928 |
898 |
0.967 |
120 |
383 |
|
|
8 |
B2 |
1363 |
1268 |
0.930 |
120 |
384 |
|
|
9 |
B2 |
900 |
758 |
0.842 |
120 |
385 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1086 |
1105 |
1.018 |
121 |
386 |
|
|
2 |
A1 |
737 |
781 |
1.059 |
121 |
387 |
|
|
3 |
A1 |
426 |
476 |
1.117 |
121 |
388 |
|
|
4 |
E |
1377 |
1212 |
0.880 |
121 |
389 |
|
|
5 |
E |
497 |
563 |
1.132 |
121 |
390 |
|
|
6 |
E |
297 |
350 |
1.178 |
121 |
391 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2676 |
2224 |
0.831 |
122 |
392 |
|
|
2 |
A1 |
1051 |
954 |
0.908 |
122 |
393 |
|
|
3 |
A1 |
569 |
527 |
0.926 |
122 |
394 |
|
|
4 |
A1 |
190 |
188 |
0.992 |
122 |
395 |
|
|
5 |
A2 |
795 |
710 |
0.894 |
122 |
396 |
|
|
6 |
B1 |
2726 |
2237 |
0.821 |
122 |
397 |
|
|
7 |
B1 |
624 |
602 |
0.964 |
122 |
398 |
|
|
8 |
B2 |
951 |
876 |
0.921 |
122 |
399 |
|
|
9 |
B2 |
650 |
590 |
0.907 |
122 |
400 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
609 |
1061 |
1.742 |
123 |
401 |
|
|
2 |
A1 |
485 |
715 |
1.473 |
123 |
402 |
|
|
3 |
A1 |
191 |
549 |
2.871 |
123 |
403 |
|
|
4 |
E |
691 |
1315 |
1.902 |
123 |
404 |
|
|
5 |
E |
201 |
589 |
2.929 |
123 |
405 |
|
|
6 |
E |
151 |
405 |
2.688 |
123 |
406 |
CHCl3 |
Chloroform |
1 |
A1 |
3408 |
3034 |
0.890 |
124 |
407 |
|
|
2 |
A1 |
705 |
680 |
0.965 |
124 |
408 |
|
|
3 |
A1 |
369 |
366 |
0.991 |
124 |
409 |
|
|
4 |
E |
1284 |
1220 |
0.950 |
124 |
410 |
|
|
5 |
E |
894 |
774 |
0.865 |
124 |
411 |
|
|
6 |
E |
251 |
260 |
1.037 |
124 |
412 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1233 |
1101 |
0.893 |
125 |
413 |
|
|
2 |
A1 |
653 |
667 |
1.021 |
125 |
414 |
|
|
3 |
A1 |
427 |
458 |
1.073 |
125 |
415 |
|
|
4 |
A1 |
229 |
262 |
1.146 |
125 |
416 |
|
|
5 |
A2 |
283 |
322 |
1.140 |
125 |
417 |
|
|
6 |
B1 |
881 |
902 |
1.024 |
125 |
418 |
|
|
7 |
B1 |
408 |
437 |
1.072 |
125 |
419 |
|
|
8 |
B2 |
1395 |
1159 |
0.831 |
125 |
420 |
|
|
9 |
B2 |
397 |
446 |
1.122 |
125 |
421 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1339 |
1085 |
0.810 |
126 |
422 |
|
|
2 |
A1 |
548 |
535 |
0.976 |
126 |
423 |
|
|
3 |
A1 |
322 |
350 |
1.087 |
126 |
424 |
|
|
4 |
E |
894 |
847 |
0.947 |
126 |
425 |
|
|
5 |
E |
383 |
394 |
1.028 |
126 |
426 |
|
|
6 |
E |
221 |
241 |
1.092 |
126 |
427 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
961 |
1205 |
1.253 |
127 |
428 |
|
|
2 |
A1 |
452 |
577 |
1.276 |
127 |
429 |
|
|
3 |
A1 |
274 |
408 |
1.488 |
127 |
430 |
|
|
4 |
A1 |
126 |
218 |
1.726 |
127 |
431 |
|
|
5 |
A2 |
177 |
282 |
1.590 |
127 |
432 |
|
|
6 |
B1 |
463 |
586 |
1.265 |
127 |
433 |
|
|
7 |
B1 |
243 |
388 |
1.598 |
127 |
434 |
|
|
8 |
B2 |
1079 |
1434 |
1.329 |
127 |
435 |
|
|
9 |
B2 |
241 |
362 |
1.503 |
127 |
436 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2671 |
2261 |
0.847 |
128 |
437 |
|
|
2 |
A1 |
517 |
499 |
0.966 |
128 |
438 |
|
|
3 |
A1 |
244 |
254 |
1.040 |
128 |
439 |
|
|
4 |
E |
857 |
811 |
0.946 |
128 |
440 |
|
|
5 |
E |
652 |
600 |
0.921 |
128 |
441 |
|
|
6 |
E |
170 |
176 |
1.034 |
128 |
442 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
476 |
459 |
0.963 |
129 |
443 |
|
|
2 |
E |
203 |
217 |
1.068 |
129 |
444 |
|
|
3 |
T2 |
901 |
776 |
0.861 |
129 |
445 |
|
|
4 |
T2 |
303 |
314 |
1.037 |
129 |
446 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1220 |
1322 |
1.084 |
130 |
447 |
|
|
2 |
A1 |
464 |
481 |
1.036 |
130 |
448 |
|
|
3 |
A1 |
214 |
266 |
1.241 |
130 |
449 |
|
|
4 |
E |
558 |
590 |
1.057 |
130 |
450 |
|
|
5 |
E |
256 |
333 |
1.300 |
130 |
451 |
|
|
6 |
E |
147 |
187 |
1.269 |
130 |
452 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
428 |
424 |
0.991 |
131 |
453 |
|
|
2 |
E |
139 |
150 |
1.078 |
131 |
454 |
|
|
3 |
T2 |
670 |
621 |
0.927 |
131 |
455 |
|
|
4 |
T2 |
208 |
221 |
1.065 |
131 |
456 |
C2H4 |
Ethylene |
1 |
Ag |
3459 |
3026 |
0.875 |
132 |
457 |
|
|
2 |
Ag |
1872 |
1623 |
0.867 |
132 |
458 |
|
|
3 |
Ag |
1498 |
1342 |
0.896 |
132 |
459 |
|
|
4 |
Au |
1172 |
1023 |
0.873 |
132 |
460 |
|
|
5 |
B1u |
3424 |
2989 |
0.873 |
132 |
461 |
|
|
6 |
B1u |
1613 |
1444 |
0.895 |
132 |
462 |
|
|
7 |
B2g |
1034 |
940 |
0.908 |
132 |
463 |
|
|
8 |
B2u |
3600 |
3105 |
0.863 |
132 |
464 |
|
|
9 |
B2u |
883 |
826 |
0.935 |
132 |
465 |
|
|
10 |
B3g |
3583 |
3086 |
0.861 |
132 |
466 |
|
|
11 |
B3g |
1336 |
1217 |
0.911 |
132 |
467 |
|
|
12 |
B3u |
1045 |
949 |
0.909 |
132 |
468 |
C3H3 |
Propargyl radical |
1 |
A1 |
3704 |
3322 |
0.897 |
133 |
469 |
|
|
6 |
B1 |
603 |
687 |
1.140 |
133 |
470 |
|
|
7 |
B1 |
561 |
490 |
0.873 |
133 |
471 |
N2H4 |
Hydrazine |
1 |
A |
3672 |
3398 |
0.925 |
134 |
472 |
|
|
2 |
A |
3467 |
3329 |
0.960 |
134 |
473 |
|
|
3 |
A |
1871 |
1642 |
0.878 |
134 |
474 |
|
|
4 |
A |
1418 |
1275 |
0.899 |
134 |
475 |
|
|
5 |
A |
1185 |
1076 |
0.908 |
134 |
476 |
|
|
6 |
A |
1102 |
780 |
0.708 |
134 |
477 |
|
|
7 |
A |
350 |
377 |
1.076 |
134 |
478 |
|
|
8 |
B |
3652 |
3350 |
0.917 |
134 |
479 |
|
|
9 |
B |
3480 |
3314 |
0.952 |
134 |
480 |
|
|
10 |
B |
1841 |
1628 |
0.884 |
134 |
481 |
|
|
11 |
B |
1607 |
1275 |
0.793 |
134 |
482 |
|
|
12 |
B |
1182 |
966 |
0.818 |
134 |
483 |
CH3CN |
Acetonitrile |
1 |
A1 |
3347 |
2954 |
0.882 |
135 |
484 |
|
|
2 |
A1 |
2452 |
2267 |
0.924 |
135 |
485 |
|
|
3 |
A1 |
1554 |
1385 |
0.891 |
135 |
486 |
|
|
4 |
A1 |
970 |
920 |
0.948 |
135 |
487 |
|
|
5 |
E |
3512 |
3009 |
0.857 |
135 |
488 |
|
|
6 |
E |
1648 |
1448 |
0.879 |
135 |
489 |
|
|
7 |
E |
1146 |
1041 |
0.908 |
135 |
490 |
|
|
8 |
E |
382 |
362 |
0.948 |
135 |
491 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2483 |
2290 |
0.922 |
136 |
492 |
|
|
2 |
Σg |
2278 |
2119 |
0.930 |
136 |
493 |
|
|
3 |
Σg |
622 |
692 |
1.112 |
136 |
494 |
|
|
4 |
Σu |
2378 |
2241 |
0.942 |
136 |
495 |
|
|
5 |
Σu |
1190 |
1154 |
0.970 |
136 |
496 |
|
|
6 |
Πg |
598 |
504 |
0.843 |
136 |
497 |
|
|
7 |
Πg |
280 |
263 |
0.939 |
136 |
498 |
|
|
8 |
Πu |
532 |
472 |
0.887 |
136 |
499 |
|
|
9 |
Πu |
114 |
107 |
0.940 |
136 |
500 |
CH3OH |
Methyl alcohol |
1 |
A' |
3787 |
3681 |
0.972 |
137 |
501 |
|
|
2 |
A' |
3478 |
3000 |
0.863 |
137 |
502 |
|
|
3 |
A' |
3269 |
2844 |
0.870 |
137 |
503 |
|
|
4 |
A' |
1700 |
1477 |
0.869 |
137 |
504 |
|
|
5 |
A' |
1623 |
1455 |
0.897 |
137 |
505 |
|
|
6 |
A' |
1600 |
1345 |
0.841 |
137 |
506 |
|
|
7 |
A' |
1184 |
1060 |
0.895 |
137 |
507 |
|
|
8 |
A' |
1103 |
1033 |
0.936 |
137 |
508 |
|
|
9 |
A" |
3409 |
2960 |
0.868 |
137 |
509 |
|
|
10 |
A" |
1677 |
1477 |
0.881 |
137 |
510 |
|
|
11 |
A" |
1198 |
1165 |
0.972 |
137 |
511 |
|
|
12 |
A" |
408 |
200 |
0.490 |
137 |
512 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3244 |
2843 |
0.876 |
138 |
513 |
|
|
2 |
Ag |
1844 |
1745 |
0.946 |
138 |
514 |
|
|
3 |
Ag |
1456 |
1338 |
0.919 |
138 |
515 |
|
|
4 |
Ag |
1056 |
1065 |
1.009 |
138 |
516 |
|
|
5 |
Ag |
554 |
551 |
0.994 |
138 |
517 |
|
|
6 |
Au |
782 |
801 |
1.024 |
138 |
518 |
|
|
7 |
Au |
141 |
127 |
0.902 |
138 |
519 |
|
|
8 |
Bg |
1019 |
1048 |
1.029 |
138 |
520 |
|
|
9 |
Bu |
3246 |
2835 |
0.873 |
138 |
521 |
|
|
10 |
Bu |
1827 |
1732 |
0.948 |
138 |
522 |
|
|
11 |
Bu |
1407 |
1312 |
0.932 |
138 |
523 |
|
|
12 |
Bu |
323 |
339 |
1.050 |
138 |
524 |
CH3SH |
Methanethiol |
1 |
A' |
3525 |
3000 |
0.851 |
139 |
525 |
|
|
2 |
A' |
3335 |
2931 |
0.879 |
139 |
526 |
|
|
3 |
A' |
3015 |
2597 |
0.861 |
139 |
527 |
|
|
4 |
A' |
1705 |
1475 |
0.865 |
139 |
528 |
|
|
5 |
A' |
1566 |
1335 |
0.853 |
139 |
529 |
|
|
6 |
A' |
1245 |
1074 |
0.862 |
139 |
530 |
|
|
7 |
A' |
927 |
803 |
0.867 |
139 |
531 |
|
|
8 |
A' |
871 |
708 |
0.813 |
139 |
532 |
|
|
9 |
A" |
3497 |
3000 |
0.858 |
139 |
533 |
|
|
10 |
A" |
1693 |
1430 |
0.845 |
139 |
534 |
|
|
11 |
A" |
1081 |
976 |
0.903 |
139 |
535 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3617 |
3115 |
0.861 |
140 |
536 |
|
|
2 |
A' |
3461 |
3080 |
0.890 |
140 |
537 |
|
|
3 |
A' |
3410 |
3052 |
0.895 |
140 |
538 |
|
|
4 |
A' |
1871 |
1654 |
0.884 |
140 |
539 |
|
|
5 |
A' |
1572 |
1380 |
0.878 |
140 |
540 |
|
|
6 |
A' |
1417 |
1306 |
0.922 |
140 |
541 |
|
|
7 |
A' |
1285 |
1156 |
0.900 |
140 |
542 |
|
|
8 |
A' |
1030 |
929 |
0.902 |
140 |
543 |
|
|
9 |
A' |
488 |
483 |
0.990 |
140 |
544 |
|
|
10 |
A" |
1056 |
940 |
0.890 |
140 |
545 |
|
|
11 |
A" |
924 |
863 |
0.934 |
140 |
546 |
|
|
12 |
A" |
730 |
711 |
0.974 |
140 |
547 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3473 |
3070 |
0.884 |
141 |
548 |
|
|
2 |
A1 |
1865 |
1728 |
0.926 |
141 |
549 |
|
|
3 |
A1 |
1541 |
1360 |
0.882 |
141 |
550 |
|
|
4 |
A1 |
984 |
926 |
0.941 |
141 |
551 |
|
|
5 |
A1 |
501 |
550 |
1.098 |
141 |
552 |
|
|
6 |
A2 |
730 |
714 |
0.978 |
141 |
553 |
|
|
7 |
B1 |
831 |
803 |
0.966 |
141 |
554 |
|
|
8 |
B1 |
604 |
611 |
1.012 |
141 |
555 |
|
|
9 |
B2 |
3638 |
3154 |
0.867 |
141 |
556 |
|
|
10 |
B2 |
1494 |
1302 |
0.872 |
141 |
557 |
|
|
11 |
B2 |
1022 |
955 |
0.934 |
141 |
558 |
|
|
12 |
B2 |
423 |
438 |
1.036 |
141 |
559 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2378 |
2275 |
0.957 |
142 |
560 |
|
|
2 |
A1 |
1135 |
1227 |
1.081 |
142 |
561 |
|
|
3 |
A1 |
772 |
802 |
1.039 |
142 |
562 |
|
|
4 |
A1 |
460 |
522 |
1.135 |
142 |
563 |
|
|
5 |
E |
1318 |
1214 |
0.921 |
142 |
564 |
|
|
6 |
E |
595 |
618 |
1.039 |
142 |
565 |
|
|
7 |
E |
413 |
463 |
1.121 |
142 |
566 |
|
|
8 |
E |
163 |
196 |
1.203 |
142 |
567 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1859 |
1872 |
1.007 |
143 |
568 |
|
|
2 |
Ag |
803 |
778 |
0.969 |
143 |
569 |
|
|
3 |
Ag |
360 |
394 |
1.095 |
143 |
570 |
|
|
4 |
Au |
179 |
190 |
1.060 |
143 |
571 |
|
|
5 |
B1u |
1241 |
1186 |
0.955 |
143 |
572 |
|
|
6 |
B1u |
507 |
558 |
1.101 |
143 |
573 |
|
|
7 |
B2g |
419 |
508 |
1.213 |
143 |
574 |
|
|
8 |
B2u |
1433 |
1337 |
0.933 |
143 |
575 |
|
|
9 |
B2u |
177 |
218 |
1.234 |
143 |
576 |
|
|
10 |
B3g |
1495 |
1340 |
0.896 |
143 |
577 |
|
|
11 |
B3g |
532 |
551 |
1.035 |
143 |
578 |
|
|
12 |
B3u |
404 |
406 |
1.006 |
143 |
579 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
692 |
816 |
1.178 |
144 |
580 |
|
|
2 |
A1' |
658 |
648 |
0.984 |
144 |
581 |
|
|
3 |
A2" |
997 |
947 |
0.950 |
144 |
582 |
|
|
4 |
A2" |
431 |
575 |
1.335 |
144 |
583 |
|
|
5 |
E' |
934 |
1024 |
1.097 |
144 |
584 |
|
|
6 |
E' |
390 |
533 |
1.366 |
144 |
585 |
|
|
7 |
E' |
93 |
174 |
1.877 |
144 |
586 |
|
|
8 |
E" |
377 |
520 |
1.381 |
144 |
587 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3718 |
3602 |
0.969 |
145 |
588 |
|
|
2 |
A |
1305 |
1486 |
1.139 |
145 |
589 |
|
|
3 |
A |
1048 |
1243 |
1.187 |
145 |
590 |
|
|
4 |
A |
928 |
1150 |
1.239 |
145 |
591 |
|
|
5 |
A |
728 |
896 |
1.231 |
145 |
592 |
|
|
6 |
A |
675 |
823 |
1.220 |
145 |
593 |
|
|
7 |
A |
297 |
562 |
1.892 |
145 |
594 |
|
|
8 |
A |
293 |
551 |
1.878 |
145 |
595 |
|
|
9 |
A |
280 |
518 |
1.850 |
145 |
596 |
|
|
10 |
A |
263 |
409 |
1.556 |
145 |
597 |
|
|
11 |
A |
203 |
390 |
1.925 |
145 |
598 |
|
|
12 |
A |
185 |
266 |
1.434 |
145 |
599 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3602 |
3121 |
0.866 |
146 |
600 |
|
|
2 |
A' |
3511 |
3086 |
0.879 |
146 |
601 |
|
|
3 |
A' |
3442 |
3030 |
0.880 |
146 |
602 |
|
|
4 |
A' |
1835 |
1608 |
0.876 |
146 |
603 |
|
|
5 |
A' |
1525 |
1368 |
0.897 |
146 |
604 |
|
|
6 |
A' |
1374 |
1279 |
0.931 |
146 |
605 |
|
|
7 |
A' |
1108 |
1030 |
0.930 |
146 |
606 |
|
|
8 |
A' |
797 |
720 |
0.903 |
146 |
607 |
|
|
9 |
A' |
397 |
395 |
0.995 |
146 |
608 |
|
|
10 |
A" |
1055 |
941 |
0.892 |
146 |
609 |
|
|
11 |
A" |
992 |
896 |
0.903 |
146 |
610 |
|
|
12 |
A" |
652 |
620 |
0.951 |
146 |
611 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3445 |
3035 |
0.881 |
147 |
612 |
|
|
2 |
A1 |
1823 |
1627 |
0.892 |
147 |
613 |
|
|
3 |
A1 |
1505 |
1400 |
0.930 |
147 |
614 |
|
|
4 |
A1 |
636 |
603 |
0.948 |
147 |
615 |
|
|
5 |
A1 |
285 |
299 |
1.048 |
147 |
616 |
|
|
6 |
A2 |
747 |
686 |
0.919 |
147 |
617 |
|
|
7 |
B1 |
961 |
875 |
0.910 |
147 |
618 |
|
|
8 |
B1 |
456 |
460 |
1.009 |
147 |
619 |
|
|
9 |
B2 |
3605 |
3130 |
0.868 |
147 |
620 |
|
|
10 |
B2 |
1204 |
1095 |
0.909 |
147 |
621 |
|
|
11 |
B2 |
876 |
800 |
0.913 |
147 |
622 |
|
|
12 |
B2 |
364 |
372 |
1.023 |
147 |
623 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3513 |
3077 |
0.876 |
148 |
624 |
|
|
2 |
A1 |
1818 |
1587 |
0.873 |
148 |
625 |
|
|
3 |
A1 |
1252 |
1179 |
0.941 |
148 |
626 |
|
|
4 |
A1 |
783 |
711 |
0.908 |
148 |
627 |
|
|
5 |
A1 |
156 |
173 |
1.107 |
148 |
628 |
|
|
6 |
A2 |
960 |
876 |
0.913 |
148 |
629 |
|
|
7 |
A2 |
412 |
406 |
0.985 |
148 |
630 |
|
|
8 |
B1 |
745 |
697 |
0.935 |
148 |
631 |
|
|
9 |
B2 |
3485 |
3072 |
0.881 |
148 |
632 |
|
|
10 |
B2 |
1398 |
1303 |
0.932 |
148 |
633 |
|
|
11 |
B2 |
935 |
857 |
0.917 |
148 |
634 |
|
|
12 |
B2 |
584 |
571 |
0.977 |
148 |
635 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3523 |
3073 |
0.872 |
149 |
636 |
|
|
2 |
Ag |
1806 |
1578 |
0.874 |
149 |
637 |
|
|
3 |
Ag |
1351 |
1274 |
0.943 |
149 |
638 |
|
|
4 |
Ag |
917 |
846 |
0.922 |
149 |
639 |
|
|
5 |
Ag |
359 |
350 |
0.975 |
149 |
640 |
|
|
6 |
Au |
1000 |
900 |
0.900 |
149 |
641 |
|
|
7 |
Au |
218 |
227 |
1.043 |
149 |
642 |
|
|
8 |
Bg |
801 |
763 |
0.953 |
149 |
643 |
|
|
9 |
Bu |
3501 |
3090 |
0.883 |
149 |
644 |
|
|
10 |
Bu |
1270 |
1200 |
0.945 |
149 |
645 |
|
|
11 |
Bu |
924 |
828 |
0.896 |
149 |
646 |
|
|
12 |
Bu |
227 |
250 |
1.103 |
149 |
647 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3503 |
3082 |
0.880 |
150 |
648 |
|
|
2 |
A' |
1798 |
1586 |
0.882 |
150 |
649 |
|
|
3 |
A' |
1323 |
1247 |
0.943 |
150 |
650 |
|
|
4 |
A' |
1044 |
931 |
0.892 |
150 |
651 |
|
|
5 |
A' |
926 |
840 |
0.907 |
150 |
652 |
|
|
6 |
A' |
657 |
630 |
0.959 |
150 |
653 |
|
|
7 |
A' |
393 |
384 |
0.978 |
150 |
654 |
|
|
8 |
A' |
262 |
277 |
1.055 |
150 |
655 |
|
|
9 |
A' |
156 |
178 |
1.137 |
150 |
656 |
|
|
10 |
A" |
844 |
780 |
0.924 |
150 |
657 |
|
|
11 |
A" |
454 |
451 |
0.993 |
150 |
658 |
|
|
12 |
A" |
207 |
215 |
1.040 |
150 |
659 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1252 |
1122 |
0.896 |
151 |
660 |
|
|
2 |
A1 |
435 |
401 |
0.921 |
151 |
661 |
|
|
3 |
A1 |
180 |
176 |
0.975 |
151 |
662 |
|
|
5 |
B2 |
799 |
728 |
0.911 |
151 |
663 |
|
|
6 |
B2 |
304 |
289 |
0.951 |
151 |
664 |
|
|
7 |
E |
1061 |
917 |
0.864 |
151 |
665 |
|
|
8 |
E |
513 |
512 |
0.999 |
151 |
666 |
|
|
9 |
E |
101 |
104 |
1.034 |
151 |
667 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1770 |
1571 |
0.888 |
152 |
668 |
|
|
2 |
Ag |
467 |
447 |
0.957 |
152 |
669 |
|
|
3 |
Ag |
220 |
237 |
1.076 |
152 |
670 |
|
|
4 |
Au |
101 |
110 |
1.093 |
152 |
671 |
|
|
5 |
B1u |
828 |
777 |
0.939 |
152 |
672 |
|
|
6 |
B1u |
299 |
310 |
1.038 |
152 |
673 |
|
|
7 |
B2g |
501 |
512 |
1.022 |
152 |
674 |
|
|
8 |
B2u |
1027 |
908 |
0.884 |
152 |
675 |
|
|
9 |
B2u |
160 |
176 |
1.101 |
152 |
676 |
|
|
10 |
B3g |
1112 |
1000 |
0.899 |
152 |
677 |
|
|
11 |
B3g |
348 |
347 |
0.996 |
152 |
678 |
|
|
12 |
B3u |
288 |
288 |
1.000 |
152 |
679 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
394 |
394 |
1.001 |
153 |
680 |
|
|
2 |
A1' |
345 |
264 |
0.765 |
153 |
681 |
|
|
3 |
A2" |
594 |
465 |
0.783 |
153 |
682 |
|
|
4 |
A2" |
267 |
299 |
1.119 |
153 |
683 |
|
|
5 |
E' |
594 |
592 |
0.996 |
153 |
684 |
|
|
6 |
E' |
240 |
273 |
1.139 |
153 |
685 |
|
|
7 |
E' |
67 |
100 |
1.499 |
153 |
686 |
|
|
8 |
E" |
227 |
282 |
1.240 |
153 |
687 |
CH3CCH |
propyne |
1 |
A1 |
3728 |
3334 |
0.894 |
154 |
688 |
|
|
2 |
A1 |
3341 |
2918 |
0.873 |
154 |
689 |
|
|
3 |
A1 |
2462 |
2124 |
0.863 |
154 |
690 |
|
|
4 |
A1 |
1571 |
1382 |
0.880 |
154 |
691 |
|
|
5 |
A1 |
1005 |
931 |
0.926 |
154 |
692 |
|
|
6 |
E |
3502 |
3008 |
0.859 |
154 |
693 |
|
|
7 |
E |
1666 |
1452 |
0.872 |
154 |
694 |
|
|
8 |
E |
1155 |
1053 |
0.912 |
154 |
695 |
|
|
9 |
E |
770 |
633 |
0.822 |
154 |
696 |
|
|
10 |
E |
366 |
328 |
0.897 |
154 |
697 |
CH2CCH2 |
allene |
1 |
A1 |
3411 |
3015 |
0.884 |
155 |
698 |
|
|
2 |
A1 |
1632 |
1443 |
0.884 |
155 |
699 |
|
|
3 |
A1 |
1194 |
1073 |
0.898 |
155 |
700 |
|
|
4 |
B1 |
967 |
865 |
0.894 |
155 |
701 |
|
|
5 |
B2 |
3414 |
3007 |
0.881 |
155 |
702 |
|
|
6 |
B2 |
2255 |
1957 |
0.868 |
155 |
703 |
|
|
7 |
B2 |
1567 |
1398 |
0.892 |
155 |
704 |
|
|
8 |
E |
3549 |
3086 |
0.870 |
155 |
705 |
|
|
9 |
E |
1107 |
999 |
0.903 |
155 |
706 |
|
|
10 |
E |
951 |
841 |
0.884 |
155 |
707 |
|
|
11 |
E |
377 |
355 |
0.942 |
155 |
708 |
C3H4 |
cyclopropene |
1 |
A1 |
3609 |
3158 |
0.875 |
156 |
709 |
|
|
2 |
A1 |
3371 |
2909 |
0.863 |
156 |
710 |
|
|
3 |
A1 |
1902 |
1653 |
0.869 |
156 |
711 |
|
|
4 |
A1 |
1679 |
1483 |
0.883 |
156 |
712 |
|
|
5 |
A1 |
1356 |
1110 |
0.819 |
156 |
713 |
|
|
6 |
A1 |
1016 |
905 |
0.891 |
156 |
714 |
|
|
7 |
A2 |
1123 |
996 |
0.887 |
156 |
715 |
|
|
8 |
A2 |
939 |
820 |
0.873 |
156 |
716 |
|
|
9 |
B1 |
3508 |
2995 |
0.854 |
156 |
717 |
|
|
10 |
B1 |
1194 |
1088 |
0.911 |
156 |
718 |
|
|
11 |
B1 |
695 |
569 |
0.819 |
156 |
719 |
|
|
12 |
B2 |
3536 |
3124 |
0.884 |
156 |
720 |
|
|
13 |
B2 |
1227 |
1043 |
0.850 |
156 |
721 |
|
|
14 |
B2 |
1175 |
1011 |
0.860 |
156 |
722 |
|
|
15 |
B2 |
929 |
769 |
0.828 |
156 |
723 |
CH3NH2 |
methyl amine |
1 |
A' |
3550 |
3361 |
0.947 |
157 |
724 |
|
|
2 |
A' |
3468 |
2961 |
0.854 |
157 |
725 |
|
|
3 |
A' |
3308 |
2820 |
0.853 |
157 |
726 |
|
|
4 |
A' |
1878 |
1623 |
0.864 |
157 |
727 |
|
|
5 |
A' |
1687 |
1473 |
0.873 |
157 |
728 |
|
|
6 |
A' |
1603 |
1430 |
0.892 |
157 |
729 |
|
|
7 |
A' |
1296 |
1130 |
0.872 |
157 |
730 |
|
|
8 |
A' |
1144 |
1044 |
0.912 |
157 |
731 |
|
|
9 |
A' |
965 |
780 |
0.808 |
157 |
732 |
|
|
10 |
A" |
3734 |
3427 |
0.918 |
157 |
733 |
|
|
11 |
A" |
3517 |
2985 |
0.849 |
157 |
734 |
|
|
12 |
A" |
1701 |
1485 |
0.873 |
157 |
735 |
|
|
13 |
A" |
1508 |
1335 |
0.885 |
157 |
736 |
|
|
14 |
A" |
1044 |
|
|
157 |
737 |
|
|
15 |
A" |
355 |
268 |
0.755 |
157 |
738 |
C3H3N |
acrylonitrile |
1 |
A' |
3603 |
3125 |
0.867 |
158 |
739 |
|
|
2 |
A' |
3488 |
3078 |
0.883 |
158 |
740 |
|
|
3 |
A' |
3443 |
3042 |
0.884 |
158 |
741 |
|
|
4 |
A' |
2404 |
2239 |
0.931 |
158 |
742 |
|
|
5 |
A' |
1819 |
1615 |
0.888 |
158 |
743 |
|
|
6 |
A' |
1551 |
1416 |
0.913 |
158 |
744 |
|
|
7 |
A' |
1399 |
1282 |
0.916 |
158 |
745 |
|
|
8 |
A' |
1164 |
1096 |
0.941 |
158 |
746 |
|
|
9 |
A' |
913 |
869 |
0.952 |
158 |
747 |
|
|
10 |
A' |
590 |
570 |
0.966 |
158 |
748 |
|
|
11 |
A' |
239 |
242 |
1.015 |
158 |
749 |
|
|
12 |
A" |
1087 |
972 |
0.894 |
158 |
750 |
|
|
13 |
A" |
1026 |
954 |
0.929 |
158 |
751 |
|
|
14 |
A" |
742 |
683 |
0.920 |
158 |
752 |
|
|
15 |
A" |
343 |
362 |
1.055 |
158 |
753 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3351 |
2935 |
0.876 |
159 |
754 |
|
|
2 |
A1 |
2445 |
2275 |
0.931 |
159 |
755 |
|
|
3 |
A1 |
1593 |
1395 |
0.876 |
159 |
756 |
|
|
4 |
A1 |
938 |
890 |
0.949 |
159 |
757 |
|
|
5 |
A1 |
595 |
582 |
0.978 |
159 |
758 |
|
|
6 |
A1 |
146 |
167 |
1.144 |
159 |
759 |
|
|
7 |
A2 |
1312 |
1220 |
0.930 |
159 |
760 |
|
|
8 |
A2 |
376 |
367 |
0.977 |
159 |
761 |
|
|
9 |
B1 |
3444 |
2968 |
0.862 |
159 |
762 |
|
|
10 |
B1 |
1005 |
933 |
0.928 |
159 |
763 |
|
|
11 |
B1 |
351 |
337 |
0.961 |
159 |
764 |
|
|
12 |
B2 |
2439 |
2275 |
0.933 |
159 |
765 |
|
|
13 |
B2 |
1425 |
1318 |
0.925 |
159 |
766 |
|
|
14 |
B2 |
1023 |
982 |
0.960 |
159 |
767 |
|
|
15 |
B2 |
380 |
366 |
0.963 |
159 |
768 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3780 |
3447 |
0.912 |
160 |
769 |
|
|
2 |
A' |
3543 |
3102 |
0.875 |
160 |
770 |
|
|
3 |
A' |
1527 |
1441 |
0.944 |
160 |
771 |
|
|
4 |
A' |
1488 |
1384 |
0.930 |
160 |
772 |
|
|
5 |
A' |
1269 |
1259 |
0.992 |
160 |
773 |
|
|
6 |
A' |
1251 |
1159 |
0.926 |
160 |
774 |
|
|
7 |
A' |
1146 |
1084 |
0.946 |
160 |
775 |
|
|
8 |
A' |
1057 |
1015 |
0.961 |
160 |
776 |
|
|
9 |
A' |
1047 |
1002 |
0.957 |
160 |
777 |
|
|
10 |
A' |
974 |
969 |
0.995 |
160 |
778 |
|
|
11 |
A' |
932 |
925 |
0.993 |
160 |
779 |
|
|
12 |
A" |
849 |
906 |
1.067 |
160 |
780 |
|
|
13 |
A" |
665 |
663 |
0.996 |
160 |
781 |
|
|
14 |
A" |
649 |
658 |
1.014 |
160 |
782 |
|
|
15 |
A" |
490 |
578 |
1.180 |
160 |
783 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3543 |
3014 |
0.851 |
161 |
784 |
|
|
2 |
A' |
3346 |
2923 |
0.874 |
161 |
785 |
|
|
3 |
A' |
3228 |
2716 |
0.841 |
161 |
786 |
|
|
4 |
A' |
1899 |
1743 |
0.918 |
161 |
787 |
|
|
5 |
A' |
1669 |
1433 |
0.859 |
161 |
788 |
|
|
6 |
A' |
1547 |
1395 |
0.902 |
161 |
789 |
|
|
7 |
A' |
1498 |
1352 |
0.903 |
161 |
790 |
|
|
8 |
A' |
1187 |
1114 |
0.938 |
161 |
791 |
|
|
9 |
A' |
964 |
867 |
0.899 |
161 |
792 |
|
|
10 |
A' |
503 |
509 |
1.011 |
161 |
793 |
|
|
11 |
A" |
3509 |
2964 |
0.845 |
161 |
794 |
|
|
12 |
A" |
1669 |
1431 |
0.857 |
161 |
795 |
|
|
13 |
A" |
1161 |
1102 |
0.949 |
161 |
796 |
|
|
14 |
A" |
811 |
764 |
0.942 |
161 |
797 |
|
|
15 |
A" |
155 |
150 |
0.967 |
161 |
798 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3374 |
3006 |
0.891 |
162 |
799 |
|
|
2 |
A1 |
1679 |
1467 |
0.874 |
162 |
800 |
|
|
3 |
A1 |
1400 |
1267 |
0.905 |
162 |
801 |
|
|
4 |
A1 |
1264 |
1146 |
0.907 |
162 |
802 |
|
|
5 |
A1 |
998 |
857 |
0.859 |
162 |
803 |
|
|
6 |
A2 |
3510 |
3063 |
0.873 |
162 |
804 |
|
|
7 |
A2 |
1231 |
1050 |
0.853 |
162 |
805 |
|
|
8 |
A2 |
1074 |
1020 |
0.950 |
162 |
806 |
|
|
9 |
B1 |
3519 |
3065 |
0.871 |
162 |
807 |
|
|
10 |
B1 |
1190 |
1146 |
0.963 |
162 |
808 |
|
|
11 |
B1 |
875 |
797 |
0.911 |
162 |
809 |
|
|
12 |
B2 |
3361 |
3006 |
0.894 |
162 |
810 |
|
|
13 |
B2 |
1631 |
1459 |
0.895 |
162 |
811 |
|
|
14 |
B2 |
1211 |
1159 |
0.957 |
162 |
812 |
|
|
15 |
B2 |
1075 |
824 |
0.766 |
162 |
813 |
H2SO4 |
Sulfuric acid |
1 |
A |
3718 |
3563 |
0.958 |
163 |
814 |
|
|
2 |
A |
1271 |
1216 |
0.957 |
163 |
815 |
|
|
3 |
A |
911 |
1136 |
1.247 |
163 |
816 |
|
|
4 |
A |
665 |
831 |
1.251 |
163 |
817 |
|
|
5 |
A |
301 |
548 |
1.821 |
163 |
818 |
|
|
6 |
A |
269 |
422 |
1.570 |
163 |
819 |
|
|
7 |
A |
197 |
379 |
1.919 |
163 |
820 |
|
|
8 |
A |
162 |
224 |
1.386 |
163 |
821 |
|
|
9 |
B |
3720 |
3567 |
0.959 |
163 |
822 |
|
|
10 |
B |
1331 |
1452 |
1.091 |
163 |
823 |
|
|
11 |
B |
1024 |
1157 |
1.130 |
163 |
824 |
|
|
12 |
B |
710 |
882 |
1.242 |
163 |
825 |
|
|
13 |
B |
296 |
558 |
1.884 |
163 |
826 |
|
|
14 |
B |
282 |
506 |
1.795 |
163 |
827 |
|
|
15 |
B |
240 |
288 |
1.200 |
163 |
828 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3548 |
3043 |
0.858 |
164 |
829 |
|
|
2 |
A' |
3356 |
2955 |
0.881 |
164 |
830 |
|
|
3 |
A' |
1929 |
1870 |
0.970 |
164 |
831 |
|
|
4 |
A' |
1662 |
1440 |
0.866 |
164 |
832 |
|
|
5 |
A' |
1541 |
1378 |
0.894 |
164 |
833 |
|
|
6 |
A' |
1362 |
1188 |
0.872 |
164 |
834 |
|
|
7 |
A' |
1076 |
1000 |
0.930 |
164 |
835 |
|
|
8 |
A' |
894 |
826 |
0.924 |
164 |
836 |
|
|
9 |
A' |
563 |
598 |
1.063 |
164 |
837 |
|
|
10 |
A' |
393 |
420 |
1.069 |
164 |
838 |
|
|
11 |
A" |
3523 |
3004 |
0.853 |
164 |
839 |
|
|
12 |
A" |
1662 |
1437 |
0.864 |
164 |
840 |
|
|
13 |
A" |
1114 |
1054 |
0.946 |
164 |
841 |
|
|
14 |
A" |
544 |
567 |
1.043 |
164 |
842 |
|
|
15 |
A" |
83 |
123 |
1.479 |
164 |
843 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
644 |
774 |
1.201 |
165 |
844 |
|
|
2 |
Eg |
621 |
642 |
1.034 |
165 |
845 |
|
|
3 |
T1u |
980 |
948 |
0.966 |
165 |
846 |
|
|
4 |
T1u |
398 |
616 |
1.547 |
165 |
847 |
|
|
5 |
T2g |
331 |
525 |
1.586 |
165 |
848 |
|
|
6 |
T2u |
231 |
347 |
1.503 |
165 |
849 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3542 |
3027 |
0.854 |
166 |
850 |
|
|
2 |
A' |
3356 |
2948 |
0.878 |
166 |
851 |
|
|
3 |
A' |
1980 |
1818 |
0.918 |
166 |
852 |
|
|
4 |
A' |
1644 |
1415 |
0.861 |
166 |
853 |
|
|
5 |
A' |
1533 |
1368 |
0.893 |
166 |
854 |
|
|
6 |
A' |
1198 |
1108 |
0.925 |
166 |
855 |
|
|
7 |
A' |
1033 |
956 |
0.925 |
166 |
856 |
|
|
8 |
A' |
662 |
604 |
0.912 |
166 |
857 |
|
|
9 |
A' |
454 |
445 |
0.981 |
166 |
858 |
|
|
10 |
A' |
326 |
348 |
1.067 |
166 |
859 |
|
|
11 |
A" |
3527 |
2990 |
0.848 |
166 |
860 |
|
|
12 |
A" |
1638 |
1431 |
0.873 |
166 |
861 |
|
|
13 |
A" |
1118 |
1032 |
0.923 |
166 |
862 |
|
|
14 |
A" |
497 |
518 |
1.041 |
166 |
863 |
|
|
15 |
A" |
132 |
166 |
1.259 |
166 |
864 |
C2H6 |
Ethane |
1 |
A1g |
3357 |
2954 |
0.880 |
167 |
865 |
|
|
2 |
A1g |
1611 |
1388 |
0.862 |
167 |
866 |
|
|
3 |
A1g |
1120 |
995 |
0.888 |
167 |
867 |
|
|
4 |
A1u |
305 |
289 |
0.948 |
167 |
868 |
|
|
5 |
A2u |
3362 |
2896 |
0.861 |
167 |
869 |
|
|
6 |
A2u |
1582 |
1379 |
0.872 |
167 |
870 |
|
|
7 |
Eg |
3524 |
2969 |
0.843 |
167 |
871 |
|
|
8 |
Eg |
1699 |
1468 |
0.864 |
167 |
872 |
|
|
9 |
Eg |
1348 |
1190 |
0.883 |
167 |
873 |
|
|
10 |
Eu |
3539 |
2985 |
0.843 |
167 |
874 |
|
|
11 |
Eu |
1714 |
1469 |
0.857 |
167 |
875 |
|
|
12 |
Eu |
911 |
822 |
0.903 |
167 |
876 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3365 |
2898 |
0.861 |
168 |
877 |
|
|
2 |
A1 |
2683 |
2166 |
0.807 |
168 |
878 |
|
|
3 |
A1 |
1537 |
1260 |
0.820 |
168 |
879 |
|
|
4 |
A1 |
1085 |
940 |
0.866 |
168 |
880 |
|
|
5 |
A1 |
818 |
700 |
0.856 |
168 |
881 |
|
|
6 |
A2 |
180 |
187 |
1.038 |
168 |
882 |
|
|
7 |
E |
3538 |
2982 |
0.843 |
168 |
883 |
|
|
8 |
E |
2736 |
2169 |
0.793 |
168 |
884 |
|
|
9 |
E |
1715 |
1403 |
0.818 |
168 |
885 |
|
|
10 |
E |
1135 |
980 |
0.863 |
168 |
886 |
|
|
11 |
E |
1041 |
868 |
0.834 |
168 |
887 |
|
|
12 |
E |
637 |
540 |
0.848 |
168 |
888 |
Si2H6 |
disilane |
1 |
A1g |
2675 |
2152 |
0.804 |
169 |
889 |
|
|
2 |
A1g |
1099 |
909 |
0.827 |
169 |
890 |
|
|
3 |
A1g |
565 |
434 |
0.768 |
169 |
891 |
|
|
4 |
A1u |
101 |
131 |
1.300 |
169 |
892 |
|
|
5 |
A2u |
2676 |
2154 |
0.805 |
169 |
893 |
|
|
6 |
A2u |
1015 |
844 |
0.831 |
169 |
894 |
|
|
7 |
Eg |
2726 |
2155 |
0.791 |
169 |
895 |
|
|
8 |
Eg |
1135 |
929 |
0.819 |
169 |
896 |
|
|
9 |
Eg |
746 |
625 |
0.838 |
169 |
897 |
|
|
10 |
Eu |
2731 |
2179 |
0.798 |
169 |
898 |
|
|
11 |
Eu |
1141 |
940 |
0.823 |
169 |
899 |
|
|
12 |
Eu |
505 |
379 |
0.751 |
169 |
900 |
C2H5N |
Aziridine |
1 |
A' |
3580 |
3338 |
0.932 |
170 |
901 |
|
|
2 |
A' |
3544 |
3079 |
0.869 |
170 |
902 |
|
|
3 |
A' |
3423 |
3015 |
0.881 |
170 |
903 |
|
|
4 |
A' |
1656 |
1482 |
0.895 |
170 |
904 |
|
|
5 |
A' |
1438 |
1237 |
0.860 |
170 |
905 |
|
|
6 |
A' |
1350 |
1211 |
0.897 |
170 |
906 |
|
|
7 |
A' |
1226 |
1090 |
0.889 |
170 |
907 |
|
|
8 |
A' |
1069 |
998 |
0.934 |
170 |
908 |
|
|
9 |
A' |
975 |
856 |
0.878 |
170 |
909 |
|
|
10 |
A' |
848 |
773 |
0.911 |
170 |
910 |
|
|
11 |
A" |
3569 |
3079 |
0.863 |
170 |
911 |
|
|
12 |
A" |
3413 |
3015 |
0.883 |
170 |
912 |
|
|
13 |
A" |
1621 |
1463 |
0.903 |
170 |
913 |
|
|
14 |
A" |
1388 |
1268 |
0.914 |
170 |
914 |
|
|
15 |
A" |
1252 |
1131 |
0.903 |
170 |
915 |
|
|
16 |
A" |
1203 |
1095 |
0.910 |
170 |
916 |
|
|
17 |
A" |
1013 |
904 |
0.892 |
170 |
917 |
|
|
18 |
A" |
944 |
817 |
0.865 |
170 |
918 |
CH3COOH |
Acetic acid |
1 |
A' |
3785 |
3583 |
0.947 |
171 |
919 |
|
|
2 |
A' |
3549 |
3051 |
0.860 |
171 |
920 |
|
|
3 |
A' |
3359 |
2944 |
0.877 |
171 |
921 |
|
|
4 |
A' |
1932 |
1788 |
0.926 |
171 |
922 |
|
|
5 |
A' |
1667 |
1430 |
0.858 |
171 |
923 |
|
|
6 |
A' |
1552 |
1382 |
0.891 |
171 |
924 |
|
|
7 |
A' |
1491 |
1264 |
0.848 |
171 |
925 |
|
|
8 |
A' |
1308 |
1182 |
0.904 |
171 |
926 |
|
|
9 |
A' |
1060 |
989 |
0.933 |
171 |
927 |
|
|
10 |
A' |
886 |
847 |
0.956 |
171 |
928 |
|
|
11 |
A' |
526 |
657 |
1.250 |
171 |
929 |
|
|
12 |
A' |
393 |
|
|
171 |
930 |
|
|
13 |
A" |
3526 |
2996 |
0.850 |
171 |
931 |
|
|
14 |
A" |
1665 |
1430 |
0.859 |
171 |
932 |
|
|
15 |
A" |
1118 |
1048 |
0.937 |
171 |
933 |
|
|
16 |
A" |
657 |
642 |
0.978 |
171 |
934 |
|
|
17 |
A" |
530 |
534 |
1.008 |
171 |
935 |
|
|
18 |
A" |
64 |
93 |
1.446 |
171 |
936 |
CH3OCHO |
methyl formate |
1 |
A' |
3510 |
3045 |
0.868 |
172 |
937 |
|
|
2 |
A' |
3312 |
2969 |
0.897 |
172 |
938 |
|
|
3 |
A' |
3297 |
2943 |
0.893 |
172 |
939 |
|
|
4 |
A' |
1901 |
1754 |
0.923 |
172 |
940 |
|
|
5 |
A' |
1662 |
1454 |
0.875 |
172 |
941 |
|
|
6 |
A' |
1577 |
1445 |
0.916 |
172 |
942 |
|
|
7 |
A' |
1448 |
1371 |
0.947 |
172 |
943 |
|
|
8 |
A' |
1262 |
1207 |
0.956 |
172 |
944 |
|
|
9 |
A' |
1236 |
1166 |
0.944 |
172 |
945 |
|
|
10 |
A' |
1015 |
925 |
0.911 |
172 |
946 |
|
|
11 |
A' |
741 |
767 |
1.036 |
172 |
947 |
|
|
12 |
A' |
301 |
318 |
1.058 |
172 |
948 |
|
|
13 |
A" |
3470 |
3012 |
0.868 |
172 |
949 |
|
|
14 |
A" |
1645 |
1443 |
0.877 |
172 |
950 |
|
|
15 |
A" |
1196 |
1168 |
0.977 |
172 |
951 |
|
|
16 |
A" |
959 |
1032 |
1.076 |
172 |
952 |
|
|
17 |
A" |
329 |
332 |
1.009 |
172 |
953 |
|
|
18 |
A" |
101 |
130 |
1.282 |
172 |
954 |
C3H3NO |
Isoxazole |
1 |
A' |
3580 |
3160 |
0.883 |
173 |
955 |
|
|
2 |
A' |
3537 |
3128 |
0.884 |
173 |
956 |
|
|
3 |
A' |
3530 |
3086 |
0.874 |
173 |
957 |
|
|
4 |
A' |
1698 |
1561 |
0.919 |
173 |
958 |
|
|
5 |
A' |
1516 |
1433 |
0.945 |
173 |
959 |
|
|
6 |
A' |
1473 |
1371 |
0.930 |
173 |
960 |
|
|
7 |
A' |
1304 |
1218 |
0.935 |
173 |
961 |
|
|
8 |
A' |
1211 |
1130 |
0.933 |
173 |
962 |
|
|
9 |
A' |
1172 |
1096 |
0.935 |
173 |
963 |
|
|
10 |
A' |
1115 |
1024 |
0.919 |
173 |
964 |
|
|
11 |
A' |
1048 |
920 |
0.877 |
173 |
965 |
|
|
12 |
A' |
946 |
900 |
0.952 |
173 |
966 |
|
|
13 |
A' |
930 |
857 |
0.921 |
173 |
967 |
|
|
14 |
A" |
940 |
890 |
0.946 |
173 |
968 |
|
|
15 |
A" |
901 |
866 |
0.961 |
173 |
969 |
|
|
16 |
A" |
807 |
765 |
0.948 |
173 |
970 |
|
|
17 |
A" |
643 |
631 |
0.981 |
173 |
971 |
|
|
18 |
A" |
596 |
592 |
0.992 |
173 |
972 |
C3H3NO |
Oxazole |
1 |
A' |
3574 |
3170 |
0.887 |
174 |
973 |
|
|
2 |
A' |
3540 |
3144 |
0.888 |
174 |
974 |
|
|
3 |
A' |
3535 |
3141 |
0.889 |
174 |
975 |
|
|
4 |
A' |
1662 |
1537 |
0.925 |
174 |
976 |
|
|
5 |
A' |
1596 |
1504 |
0.942 |
174 |
977 |
|
|
6 |
A' |
1427 |
1324 |
0.928 |
174 |
978 |
|
|
7 |
A' |
1303 |
1252 |
0.961 |
174 |
979 |
|
|
8 |
A' |
1263 |
1139 |
0.902 |
174 |
980 |
|
|
9 |
A' |
1176 |
1086 |
0.923 |
174 |
981 |
|
|
10 |
A' |
1148 |
1078 |
0.939 |
174 |
982 |
|
|
11 |
A' |
1112 |
1046 |
0.941 |
174 |
983 |
|
|
12 |
A' |
938 |
899 |
0.959 |
174 |
984 |
|
|
13 |
A' |
926 |
854 |
0.923 |
174 |
985 |
|
|
14 |
A" |
923 |
907 |
0.982 |
174 |
986 |
|
|
15 |
A" |
825 |
830 |
1.006 |
174 |
987 |
|
|
16 |
A" |
805 |
750 |
0.931 |
174 |
988 |
|
|
17 |
A" |
653 |
647 |
0.992 |
174 |
989 |
|
|
18 |
A" |
620 |
607 |
0.980 |
174 |
990 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3363 |
2974 |
0.884 |
175 |
991 |
|
|
2 |
A1 |
1540 |
1412 |
0.917 |
175 |
992 |
|
|
3 |
A1 |
1262 |
1278 |
1.013 |
175 |
993 |
|
|
4 |
A1 |
837 |
828 |
0.989 |
175 |
994 |
|
|
5 |
A1 |
541 |
606 |
1.120 |
175 |
995 |
|
|
6 |
A2 |
139 |
225 |
1.617 |
175 |
996 |
|
|
7 |
E |
3546 |
3042 |
0.858 |
175 |
997 |
|
|
8 |
E |
1668 |
1450 |
0.869 |
175 |
998 |
|
|
9 |
E |
1376 |
1230 |
0.894 |
175 |
999 |
|
|
10 |
E |
1031 |
964 |
0.935 |
175 |
1000 |
|
|
11 |
E |
486 |
540 |
1.110 |
175 |
1001 |
|
|
12 |
E |
328 |
365 |
1.113 |
175 |
1002 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3532 |
2967 |
0.840 |
176 |
1003 |
|
|
2 |
A' |
3392 |
2946 |
0.868 |
176 |
1004 |
|
|
3 |
A' |
3364 |
2881 |
0.857 |
176 |
1005 |
|
|
4 |
A' |
1687 |
1463 |
0.867 |
176 |
1006 |
|
|
5 |
A' |
1642 |
1448 |
0.882 |
176 |
1007 |
|
|
6 |
A' |
1577 |
1385 |
0.878 |
176 |
1008 |
|
|
7 |
A' |
1434 |
1289 |
0.899 |
176 |
1009 |
|
|
8 |
A' |
1181 |
1081 |
0.915 |
176 |
1010 |
|
|
9 |
A' |
1092 |
974 |
0.892 |
176 |
1011 |
|
|
10 |
A' |
791 |
677 |
0.856 |
176 |
1012 |
|
|
11 |
A' |
335 |
336 |
1.004 |
176 |
1013 |
|
|
12 |
A" |
3550 |
3014 |
0.849 |
176 |
1014 |
|
|
13 |
A" |
3512 |
2986 |
0.850 |
176 |
1015 |
|
|
14 |
A" |
1674 |
1448 |
0.865 |
176 |
1016 |
|
|
15 |
A" |
1374 |
1251 |
0.911 |
176 |
1017 |
|
|
16 |
A" |
1158 |
974 |
0.841 |
176 |
1018 |
|
|
17 |
A" |
844 |
786 |
0.931 |
176 |
1019 |
|
|
18 |
A" |
236 |
251 |
1.063 |
176 |
1020 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3398 |
2957 |
0.870 |
177 |
1021 |
|
|
1 |
A |
3507 |
3005 |
0.857 |
177 |
1022 |
|
|
2 |
A |
3388 |
2957 |
0.873 |
177 |
1023 |
|
|
2 |
Ag |
1627 |
1445 |
0.888 |
177 |
1024 |
|
|
3 |
Ag |
1441 |
1304 |
0.905 |
177 |
1025 |
|
|
3 |
A |
1616 |
1433 |
0.887 |
177 |
1026 |
|
|
4 |
A |
1447 |
1315 |
0.909 |
177 |
1027 |
|
|
4 |
Ag |
1138 |
1052 |
0.924 |
177 |
1028 |
|
|
5 |
Ag |
883 |
754 |
0.854 |
177 |
1029 |
|
|
5 |
A |
1302 |
1207 |
0.927 |
177 |
1030 |
|
|
6 |
A |
1129 |
1027 |
0.910 |
177 |
1031 |
|
|
6 |
Ag |
306 |
300 |
0.979 |
177 |
1032 |
|
|
7 |
Au |
3531 |
3005 |
0.851 |
177 |
1033 |
|
|
7 |
A |
1025 |
948 |
0.925 |
177 |
1034 |
|
|
8 |
A |
764 |
669 |
0.875 |
177 |
1035 |
|
|
8 |
Au |
1214 |
1123 |
0.925 |
177 |
1036 |
|
|
9 |
Au |
815 |
773 |
0.948 |
177 |
1037 |
|
|
9 |
A |
249 |
272 |
1.092 |
177 |
1038 |
|
|
10 |
A |
96 |
125 |
1.304 |
177 |
1039 |
|
|
10 |
Au |
103 |
123 |
1.193 |
177 |
1040 |
|
|
11 |
Bg |
3518 |
3005 |
0.854 |
177 |
1041 |
|
|
11 |
B |
3514 |
3005 |
0.855 |
177 |
1042 |
|
|
12 |
B |
3385 |
2957 |
0.874 |
177 |
1043 |
|
|
12 |
Bg |
1377 |
1264 |
0.918 |
177 |
1044 |
|
|
13 |
Bg |
1058 |
989 |
0.935 |
177 |
1045 |
|
|
13 |
B |
1608 |
1436 |
0.893 |
177 |
1046 |
|
|
14 |
B |
1421 |
1292 |
0.909 |
177 |
1047 |
|
|
14 |
Bu |
3403 |
2983 |
0.877 |
177 |
1048 |
|
|
15 |
Bu |
1632 |
1461 |
0.895 |
177 |
1049 |
|
|
15 |
B |
1235 |
1146 |
0.928 |
177 |
1050 |
|
|
16 |
B |
966 |
890 |
0.921 |
177 |
1051 |
|
|
16 |
Bu |
1339 |
1232 |
0.920 |
177 |
1052 |
|
|
17 |
Bu |
861 |
728 |
0.846 |
177 |
1053 |
|
|
17 |
B |
794 |
693 |
0.873 |
177 |
1054 |
|
|
18 |
B |
412 |
410 |
0.994 |
177 |
1055 |
|
|
18 |
Bu |
210 |
222 |
1.059 |
177 |
1056 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3366 |
2951 |
0.877 |
178 |
1057 |
|
|
2 |
A1 |
1547 |
1386 |
0.896 |
178 |
1058 |
|
|
3 |
A1 |
1180 |
1075 |
0.911 |
178 |
1059 |
|
|
4 |
A1 |
551 |
526 |
0.955 |
178 |
1060 |
|
|
5 |
A1 |
339 |
344 |
1.014 |
178 |
1061 |
|
|
6 |
A2 |
250 |
214 |
0.857 |
178 |
1062 |
|
|
7 |
E |
3545 |
3014 |
0.850 |
178 |
1063 |
|
|
8 |
E |
1641 |
1457 |
0.888 |
178 |
1064 |
|
|
9 |
E |
1204 |
1088 |
0.903 |
178 |
1065 |
|
|
10 |
E |
838 |
724 |
0.863 |
178 |
1066 |
|
|
11 |
E |
333 |
351 |
1.054 |
178 |
1067 |
|
|
12 |
E |
229 |
239 |
1.045 |
178 |
1068 |
C3H6 |
Cyclopropane |
1 |
A1' |
3457 |
3038 |
0.879 |
179 |
1069 |
|
|
2 |
A1' |
1675 |
1479 |
0.883 |
179 |
1070 |
|
|
3 |
A1' |
1341 |
1188 |
0.886 |
179 |
1071 |
|
|
4 |
A1" |
1267 |
1126 |
0.889 |
179 |
1072 |
|
|
5 |
A2' |
1224 |
1070 |
0.874 |
179 |
1073 |
|
|
6 |
A2" |
3603 |
3103 |
0.861 |
179 |
1074 |
|
|
7 |
A2" |
898 |
854 |
0.951 |
179 |
1075 |
|
|
8 |
E' |
3442 |
3025 |
0.879 |
179 |
1076 |
|
|
9 |
E' |
1617 |
1438 |
0.889 |
179 |
1077 |
|
|
10 |
E' |
1239 |
1029 |
0.830 |
179 |
1078 |
|
|
11 |
E' |
1020 |
866 |
0.849 |
179 |
1079 |
|
|
12 |
E" |
3595 |
3082 |
0.857 |
179 |
1080 |
|
|
13 |
E" |
1315 |
1188 |
0.903 |
179 |
1081 |
|
|
14 |
E" |
816 |
739 |
0.905 |
179 |
1082 |
CH2CHCH3 |
Propene |
1 |
A' |
3594 |
3090 |
0.860 |
180 |
1083 |
|
|
2 |
A' |
3532 |
3013 |
0.853 |
180 |
1084 |
|
|
3 |
A' |
3484 |
2991 |
0.858 |
180 |
1085 |
|
|
4 |
A' |
3438 |
2954 |
0.859 |
180 |
1086 |
|
|
5 |
A' |
3343 |
2871 |
0.859 |
180 |
1087 |
|
|
6 |
A' |
1899 |
1650 |
0.869 |
180 |
1088 |
|
|
7 |
A' |
1690 |
1470 |
0.870 |
180 |
1089 |
|
|
8 |
A' |
1600 |
1420 |
0.888 |
180 |
1090 |
|
|
9 |
A' |
1570 |
1378 |
0.878 |
180 |
1091 |
|
|
10 |
A' |
1427 |
1297 |
0.909 |
180 |
1092 |
|
|
11 |
A' |
1289 |
1171 |
0.909 |
180 |
1093 |
|
|
12 |
A' |
1029 |
963 |
0.936 |
180 |
1094 |
|
|
13 |
A' |
1005 |
920 |
0.915 |
180 |
1095 |
|
|
14 |
A' |
439 |
428 |
0.975 |
180 |
1096 |
|
|
15 |
A" |
3496 |
2954 |
0.845 |
180 |
1097 |
|
|
16 |
A" |
1682 |
1443 |
0.858 |
180 |
1098 |
|
|
17 |
A" |
1169 |
1045 |
0.894 |
180 |
1099 |
|
|
18 |
A" |
1127 |
991 |
0.879 |
180 |
1100 |
|
|
19 |
A" |
1014 |
912 |
0.900 |
180 |
1101 |
|
|
20 |
A" |
623 |
578 |
0.928 |
180 |
1102 |
|
|
21 |
A" |
183 |
174 |
0.951 |
180 |
1103 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3825 |
3523 |
0.921 |
181 |
1104 |
|
|
2 |
A' |
3581 |
3155 |
0.881 |
181 |
1105 |
|
|
3 |
A' |
3548 |
3137 |
0.884 |
181 |
1106 |
|
|
4 |
A' |
3540 |
3126 |
0.883 |
181 |
1107 |
|
|
5 |
A' |
1689 |
1531 |
0.906 |
181 |
1108 |
|
|
6 |
A' |
1584 |
1447 |
0.913 |
181 |
1109 |
|
|
7 |
A' |
1520 |
1395 |
0.918 |
181 |
1110 |
|
|
8 |
A' |
1454 |
1358 |
0.934 |
181 |
1111 |
|
|
9 |
A' |
1303 |
1254 |
0.962 |
181 |
1112 |
|
|
10 |
A' |
1224 |
1159 |
0.947 |
181 |
1113 |
|
|
11 |
A' |
1180 |
1121 |
0.950 |
181 |
1114 |
|
|
12 |
A' |
1122 |
1054 |
0.939 |
181 |
1115 |
|
|
13 |
A' |
1086 |
1009 |
0.929 |
181 |
1116 |
|
|
14 |
A' |
950 |
924 |
0.973 |
181 |
1117 |
|
|
15 |
A' |
943 |
908 |
0.962 |
181 |
1118 |
|
|
16 |
A" |
945 |
879 |
0.930 |
181 |
1119 |
|
|
17 |
A" |
894 |
833 |
0.932 |
181 |
1120 |
|
|
18 |
A" |
795 |
745 |
0.937 |
181 |
1121 |
|
|
19 |
A" |
676 |
674 |
0.997 |
181 |
1122 |
|
|
20 |
A" |
654 |
623 |
0.953 |
181 |
1123 |
|
|
21 |
A" |
443 |
516 |
1.165 |
181 |
1124 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3824 |
3517 |
0.920 |
182 |
1125 |
|
|
2 |
A' |
3574 |
3143 |
0.879 |
182 |
1126 |
|
|
3 |
A' |
3541 |
3123 |
0.882 |
182 |
1127 |
|
|
4 |
A' |
3540 |
3110 |
0.878 |
182 |
1128 |
|
|
5 |
A' |
1661 |
1448 |
0.872 |
182 |
1129 |
|
|
6 |
A' |
1606 |
1404 |
0.874 |
182 |
1130 |
|
|
7 |
A' |
1552 |
1328 |
0.855 |
182 |
1131 |
|
|
8 |
A' |
1435 |
1265 |
0.882 |
182 |
1132 |
|
|
9 |
A' |
1308 |
1188 |
0.909 |
182 |
1133 |
|
|
10 |
A' |
1206 |
1098 |
0.910 |
182 |
1134 |
|
|
11 |
A' |
1186 |
1062 |
0.895 |
182 |
1135 |
|
|
12 |
A' |
1145 |
1013 |
0.884 |
182 |
1136 |
|
|
13 |
A' |
1118 |
988 |
0.884 |
182 |
1137 |
|
|
14 |
A' |
959 |
923 |
0.963 |
182 |
1138 |
|
|
15 |
A' |
923 |
898 |
0.973 |
182 |
1139 |
|
|
16 |
A" |
923 |
831 |
0.900 |
182 |
1140 |
|
|
17 |
A" |
825 |
758 |
0.918 |
182 |
1141 |
|
|
18 |
A" |
789 |
674 |
0.854 |
182 |
1142 |
|
|
19 |
A" |
669 |
663 |
0.991 |
182 |
1143 |
|
|
20 |
A" |
651 |
621 |
0.954 |
182 |
1144 |
|
|
21 |
A" |
485 |
539 |
1.112 |
182 |
1145 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3469 |
3042 |
0.877 |
183 |
1146 |
|
|
2 |
A1' |
1152 |
1132 |
0.983 |
183 |
1147 |
|
|
3 |
A1' |
976 |
992 |
1.016 |
183 |
1148 |
|
|
4 |
A2' |
1423 |
1278 |
0.898 |
183 |
1149 |
|
|
5 |
A2' |
1063 |
1068 |
1.005 |
183 |
1150 |
|
|
6 |
A2" |
882 |
925 |
1.049 |
183 |
1151 |
|
|
7 |
A2" |
790 |
737 |
0.933 |
183 |
1152 |
|
|
8 |
E' |
3466 |
3056 |
0.882 |
183 |
1153 |
|
|
9 |
E' |
1615 |
1555 |
0.963 |
183 |
1154 |
|
|
10 |
E' |
1440 |
1410 |
0.979 |
183 |
1155 |
|
|
11 |
E' |
1192 |
1176 |
0.986 |
183 |
1156 |
|
|
12 |
E' |
671 |
657 |
0.979 |
183 |
1157 |
|
|
13 |
E" |
1019 |
830 |
0.814 |
183 |
1158 |
|
|
14 |
E" |
344 |
340 |
0.989 |
183 |
1159 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3485 |
2996 |
0.860 |
184 |
1160 |
|
|
2 |
A1 |
3272 |
2817 |
0.861 |
184 |
1161 |
|
|
3 |
A1 |
1695 |
1464 |
0.864 |
184 |
1162 |
|
|
4 |
A1 |
1627 |
1452 |
0.892 |
184 |
1163 |
|
|
5 |
A1 |
1346 |
1244 |
0.924 |
184 |
1164 |
|
|
6 |
A1 |
1008 |
928 |
0.921 |
184 |
1165 |
|
|
7 |
A1 |
461 |
418 |
0.907 |
184 |
1166 |
|
|
8 |
A2 |
3418 |
2952 |
0.864 |
184 |
1167 |
|
|
9 |
A2 |
1664 |
1464 |
0.880 |
184 |
1168 |
|
|
10 |
A2 |
1193 |
1150 |
0.964 |
184 |
1169 |
|
|
11 |
A2 |
239 |
203 |
0.850 |
184 |
1170 |
|
|
12 |
B1 |
3413 |
2925 |
0.857 |
184 |
1171 |
|
|
13 |
B1 |
1663 |
1464 |
0.880 |
184 |
1172 |
|
|
14 |
B1 |
1211 |
1179 |
0.974 |
184 |
1173 |
|
|
15 |
B1 |
270 |
242 |
0.897 |
184 |
1174 |
|
|
16 |
B2 |
3483 |
2996 |
0.860 |
184 |
1175 |
|
|
17 |
B2 |
3271 |
2817 |
0.861 |
184 |
1176 |
|
|
18 |
B2 |
1688 |
1464 |
0.867 |
184 |
1177 |
|
|
19 |
B2 |
1587 |
1452 |
0.915 |
184 |
1178 |
|
|
20 |
B2 |
1261 |
1227 |
0.973 |
184 |
1179 |
|
|
21 |
B2 |
1178 |
1102 |
0.936 |
184 |
1180 |
C4H4O |
Furan |
1 |
A1 |
3581 |
3161 |
0.883 |
185 |
1181 |
|
|
2 |
A1 |
3543 |
3140 |
0.886 |
185 |
1182 |
|
|
3 |
A1 |
1635 |
1491 |
0.912 |
185 |
1183 |
|
|
4 |
A1 |
1530 |
1384 |
0.904 |
185 |
1184 |
|
|
5 |
A1 |
1232 |
1140 |
0.925 |
185 |
1185 |
|
|
6 |
A1 |
1154 |
1066 |
0.923 |
185 |
1186 |
|
|
7 |
A1 |
1081 |
995 |
0.921 |
185 |
1187 |
|
|
8 |
A1 |
915 |
871 |
0.952 |
185 |
1188 |
|
|
9 |
A2 |
953 |
838 |
0.879 |
185 |
1189 |
|
|
10 |
A2 |
784 |
728 |
0.928 |
185 |
1190 |
|
|
11 |
A2 |
642 |
603 |
0.940 |
185 |
1191 |
|
|
12 |
B1 |
916 |
863 |
0.942 |
185 |
1192 |
|
|
13 |
B1 |
793 |
745 |
0.940 |
185 |
1193 |
|
|
14 |
B1 |
619 |
613 |
0.990 |
185 |
1194 |
|
|
15 |
B2 |
3564 |
3154 |
0.885 |
185 |
1195 |
|
|
16 |
B2 |
3533 |
3129 |
0.886 |
185 |
1196 |
|
|
17 |
B2 |
1733 |
1556 |
0.898 |
185 |
1197 |
|
|
18 |
B2 |
1394 |
1267 |
0.909 |
185 |
1198 |
|
|
19 |
B2 |
1292 |
1180 |
0.913 |
185 |
1199 |
|
|
20 |
B2 |
1145 |
1040 |
0.908 |
185 |
1200 |
|
|
21 |
B2 |
929 |
873 |
0.940 |
185 |
1201 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3404 |
3001 |
0.882 |
186 |
1202 |
|
|
2 |
A' |
3360 |
2935 |
0.874 |
186 |
1203 |
|
|
3 |
A' |
2017 |
1882 |
0.933 |
186 |
1204 |
|
|
4 |
A' |
1664 |
1475 |
0.886 |
186 |
1205 |
|
|
5 |
A' |
1626 |
1427 |
0.878 |
186 |
1206 |
|
|
6 |
A' |
1437 |
1319 |
0.918 |
186 |
1207 |
|
|
7 |
A' |
1344 |
1199 |
0.892 |
186 |
1208 |
|
|
8 |
A' |
1168 |
1093 |
0.935 |
186 |
1209 |
|
|
9 |
A' |
1128 |
1005 |
0.891 |
186 |
1210 |
|
|
10 |
A' |
1089 |
924 |
0.848 |
186 |
1211 |
|
|
11 |
A' |
955 |
891 |
0.933 |
186 |
1212 |
|
|
12 |
A' |
772 |
746 |
0.966 |
186 |
1213 |
|
|
13 |
A' |
478 |
513 |
1.073 |
186 |
1214 |
|
|
14 |
A" |
3531 |
3028 |
0.858 |
186 |
1215 |
|
|
15 |
A" |
3478 |
3000 |
0.863 |
186 |
1216 |
|
|
16 |
A" |
1290 |
1184 |
0.918 |
186 |
1217 |
|
|
17 |
A" |
1188 |
1139 |
0.958 |
186 |
1218 |
|
|
18 |
A" |
1092 |
1046 |
0.958 |
186 |
1219 |
|
|
19 |
A" |
847 |
790 |
0.933 |
186 |
1220 |
|
|
20 |
A" |
497 |
490 |
0.987 |
186 |
1221 |
|
|
21 |
A" |
186 |
113 |
0.608 |
186 |
1222 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3532 |
2966 |
0.840 |
187 |
1223 |
|
|
1 |
A |
3533 |
2980 |
0.844 |
187 |
1224 |
|
|
2 |
A |
3523 |
2967 |
0.842 |
187 |
1225 |
|
|
2 |
A' |
3360 |
2872 |
0.855 |
187 |
1226 |
|
|
3 |
A' |
3356 |
2872 |
0.856 |
187 |
1227 |
|
|
3 |
A |
3486 |
2930 |
0.841 |
187 |
1228 |
|
|
4 |
A |
3372 |
2902 |
0.861 |
187 |
1229 |
|
|
4 |
A' |
3022 |
2580 |
0.854 |
187 |
1230 |
|
|
5 |
A' |
1709 |
1453 |
0.850 |
187 |
1231 |
|
|
5 |
A |
3352 |
2875 |
0.858 |
187 |
1232 |
|
|
6 |
A |
3022 |
2591 |
0.857 |
187 |
1233 |
|
|
6 |
A' |
1691 |
1453 |
0.859 |
187 |
1234 |
|
|
7 |
A' |
1592 |
1385 |
0.870 |
187 |
1235 |
|
|
7 |
A |
1706 |
1462 |
0.857 |
187 |
1236 |
|
|
8 |
A |
1698 |
1452 |
0.855 |
187 |
1237 |
|
|
8 |
A' |
1466 |
1309 |
0.893 |
187 |
1238 |
|
|
9 |
A' |
1237 |
1097 |
0.887 |
187 |
1239 |
|
|
9 |
A |
1677 |
1437 |
0.857 |
187 |
1240 |
|
|
10 |
A |
1589 |
1377 |
0.867 |
187 |
1241 |
|
|
10 |
A' |
1118 |
978 |
0.875 |
187 |
1242 |
|
|
11 |
A' |
1017 |
870 |
0.856 |
187 |
1243 |
|
|
11 |
A |
1475 |
1269 |
0.861 |
187 |
1244 |
|
|
12 |
A |
1417 |
1246 |
0.879 |
187 |
1245 |
|
|
12 |
A' |
817 |
660 |
0.808 |
187 |
1246 |
|
|
13 |
A' |
321 |
332 |
1.034 |
187 |
1247 |
|
|
13 |
A |
1256 |
1093 |
0.870 |
187 |
1248 |
|
|
14 |
A |
1165 |
1051 |
0.902 |
187 |
1249 |
|
|
14 |
A" |
3534 |
2966 |
0.839 |
187 |
1250 |
|
|
15 |
A" |
3464 |
2930 |
0.846 |
187 |
1251 |
|
|
15 |
A |
1103 |
970 |
0.880 |
187 |
1252 |
|
|
16 |
A |
1016 |
867 |
0.854 |
187 |
1253 |
|
|
16 |
A" |
1698 |
1453 |
0.856 |
187 |
1254 |
|
|
17 |
A" |
1397 |
1269 |
0.908 |
187 |
1255 |
|
|
17 |
A |
825 |
735 |
0.890 |
187 |
1256 |
|
|
18 |
A |
796 |
658 |
0.826 |
187 |
1257 |
|
|
18 |
A" |
1154 |
1049 |
0.909 |
187 |
1258 |
|
|
19 |
A" |
859 |
745 |
0.867 |
187 |
1259 |
|
|
19 |
A |
344 |
319 |
0.926 |
187 |
1260 |
|
|
20 |
A |
263 |
|
|
187 |
1261 |
|
|
21 |
A |
232 |
|
|
187 |
1262 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3523 |
2997 |
0.851 |
188 |
1263 |
|
|
2 |
A1 |
3328 |
2925 |
0.879 |
188 |
1264 |
|
|
3 |
A1 |
1706 |
1447 |
0.848 |
188 |
1265 |
|
|
4 |
A1 |
1574 |
1337 |
0.849 |
188 |
1266 |
|
|
5 |
A1 |
1159 |
1030 |
0.889 |
188 |
1267 |
|
|
6 |
A1 |
845 |
695 |
0.823 |
188 |
1268 |
|
|
7 |
A1 |
310 |
280 |
0.902 |
188 |
1269 |
|
|
8 |
A2 |
3492 |
2970 |
0.850 |
188 |
1270 |
|
|
9 |
A2 |
1686 |
1427 |
0.846 |
188 |
1271 |
|
|
10 |
A2 |
1065 |
946 |
0.888 |
188 |
1272 |
|
|
11 |
A2 |
182 |
175 |
0.962 |
188 |
1273 |
|
|
12 |
B1 |
3489 |
2970 |
0.851 |
188 |
1274 |
|
|
13 |
B1 |
1687 |
1439 |
0.853 |
188 |
1275 |
|
|
14 |
B1 |
1096 |
973 |
0.888 |
188 |
1276 |
|
|
15 |
B1 |
178 |
183 |
1.028 |
188 |
1277 |
|
|
16 |
B2 |
3522 |
2999 |
0.852 |
188 |
1278 |
|
|
17 |
B2 |
3329 |
2919 |
0.877 |
188 |
1279 |
|
|
18 |
B2 |
1702 |
1442 |
0.847 |
188 |
1280 |
|
|
19 |
B2 |
1546 |
1315 |
0.850 |
188 |
1281 |
|
|
20 |
B2 |
1030 |
903 |
0.877 |
188 |
1282 |
|
|
21 |
B2 |
893 |
742 |
0.830 |
188 |
1283 |
C4H4S |
Thiophene |
1 |
A1 |
3558 |
3126 |
0.879 |
189 |
1284 |
|
|
2 |
A1 |
3530 |
3098 |
0.878 |
189 |
1285 |
|
|
3 |
A1 |
1608 |
1409 |
0.876 |
189 |
1286 |
|
|
4 |
A1 |
1540 |
1360 |
0.883 |
189 |
1287 |
|
|
5 |
A1 |
1187 |
1083 |
0.912 |
189 |
1288 |
|
|
6 |
A1 |
1125 |
1036 |
0.921 |
189 |
1289 |
|
|
7 |
A1 |
948 |
872 |
0.919 |
189 |
1290 |
|
|
8 |
A1 |
679 |
608 |
0.896 |
189 |
1291 |
|
|
9 |
A2 |
995 |
867 |
0.871 |
189 |
1292 |
|
|
10 |
A2 |
783 |
688 |
0.878 |
189 |
1293 |
|
|
11 |
A2 |
613 |
567 |
0.925 |
189 |
1294 |
|
|
12 |
B1 |
971 |
839 |
0.864 |
189 |
1295 |
|
|
13 |
B1 |
778 |
712 |
0.915 |
189 |
1296 |
|
|
14 |
B1 |
471 |
452 |
0.961 |
189 |
1297 |
|
|
15 |
B2 |
3548 |
3125 |
0.881 |
189 |
1298 |
|
|
16 |
B2 |
3517 |
3086 |
0.877 |
189 |
1299 |
|
|
17 |
B2 |
1730 |
1504 |
0.869 |
189 |
1300 |
|
|
18 |
B2 |
1383 |
1256 |
0.908 |
189 |
1301 |
|
|
19 |
B2 |
1191 |
1085 |
0.911 |
189 |
1302 |
|
|
20 |
B2 |
976 |
903 |
0.925 |
189 |
1303 |
|
|
21 |
B2 |
832 |
751 |
0.903 |
189 |
1304 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3597 |
3087 |
0.858 |
190 |
1305 |
|
|
2 |
Ag |
3488 |
3003 |
0.861 |
190 |
1306 |
|
|
3 |
Ag |
3441 |
2992 |
0.870 |
190 |
1307 |
|
|
4 |
Ag |
1869 |
1630 |
0.872 |
190 |
1308 |
|
|
5 |
Ag |
1603 |
1438 |
0.897 |
190 |
1309 |
|
|
6 |
Ag |
1418 |
1280 |
0.903 |
190 |
1310 |
|
|
7 |
Ag |
1302 |
1196 |
0.918 |
190 |
1311 |
|
|
8 |
Ag |
957 |
894 |
0.935 |
190 |
1312 |
|
|
9 |
Ag |
529 |
512 |
0.968 |
190 |
1313 |
|
|
10 |
Au |
1149 |
1013 |
0.882 |
190 |
1314 |
|
|
11 |
Au |
998 |
908 |
0.910 |
190 |
1315 |
|
|
12 |
Au |
558 |
522 |
0.935 |
190 |
1316 |
|
|
13 |
Au |
163 |
162 |
0.991 |
190 |
1317 |
|
|
14 |
Bg |
1097 |
976 |
0.889 |
190 |
1318 |
|
|
15 |
Bg |
1003 |
912 |
0.909 |
190 |
1319 |
|
|
16 |
Bg |
826 |
770 |
0.932 |
190 |
1320 |
|
|
17 |
Bu |
3597 |
3101 |
0.862 |
190 |
1321 |
|
|
18 |
Bu |
3494 |
3055 |
0.874 |
190 |
1322 |
|
|
19 |
Bu |
3437 |
2984 |
0.868 |
190 |
1323 |
|
|
20 |
Bu |
1823 |
1596 |
0.875 |
190 |
1324 |
|
|
21 |
Bu |
1542 |
1381 |
0.896 |
190 |
1325 |
|
|
22 |
Bu |
1408 |
1294 |
0.919 |
190 |
1326 |
|
|
23 |
Bu |
1070 |
990 |
0.925 |
190 |
1327 |
|
|
24 |
Bu |
304 |
301 |
0.992 |
190 |
1328 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3336 |
2916 |
0.874 |
191 |
1329 |
|
|
2 |
A1' |
2623 |
2240 |
0.854 |
191 |
1330 |
|
|
3 |
A1' |
1579 |
1380 |
0.874 |
191 |
1331 |
|
|
4 |
A1' |
771 |
725 |
0.940 |
191 |
1332 |
|
|
6 |
A2" |
3337 |
2938 |
0.880 |
191 |
1333 |
|
|
7 |
A2" |
1571 |
1382 |
0.880 |
191 |
1334 |
|
|
8 |
A2" |
1256 |
1152 |
0.917 |
191 |
1335 |
|
|
9 |
E' |
3496 |
2973 |
0.850 |
191 |
1336 |
|
|
10 |
E' |
1670 |
1456 |
0.872 |
191 |
1337 |
|
|
11 |
E' |
1163 |
1054 |
0.906 |
191 |
1338 |
|
|
12 |
E' |
215 |
213 |
0.990 |
191 |
1339 |
|
|
13 |
E" |
3497 |
2966 |
0.848 |
191 |
1340 |
|
|
14 |
E" |
1670 |
1448 |
0.867 |
191 |
1341 |
|
|
15 |
E" |
1145 |
1029 |
0.899 |
191 |
1342 |
|
|
16 |
E" |
423 |
371 |
0.876 |
191 |
1343 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3539 |
3061 |
0.865 |
192 |
1344 |
|
|
2 |
A' |
3449 |
3010 |
0.873 |
192 |
1345 |
|
|
3 |
A' |
3408 |
2965 |
0.870 |
192 |
1346 |
|
|
4 |
A' |
3346 |
2905 |
0.868 |
192 |
1347 |
|
|
5 |
A' |
2257 |
1970 |
0.873 |
192 |
1348 |
|
|
6 |
A' |
1691 |
1453 |
0.859 |
192 |
1349 |
|
|
7 |
A' |
1629 |
1437 |
0.882 |
192 |
1350 |
|
|
8 |
A' |
1573 |
1389 |
0.883 |
192 |
1351 |
|
|
9 |
A' |
1489 |
1330 |
0.893 |
192 |
1352 |
|
|
10 |
A' |
1243 |
1132 |
0.910 |
192 |
1353 |
|
|
11 |
A' |
1184 |
1074 |
0.907 |
192 |
1354 |
|
|
12 |
A' |
959 |
876 |
0.913 |
192 |
1355 |
|
|
13 |
A' |
952 |
859 |
0.903 |
192 |
1356 |
|
|
14 |
A' |
596 |
555 |
0.931 |
192 |
1357 |
|
|
15 |
A' |
215 |
210 |
0.979 |
192 |
1358 |
|
|
16 |
A" |
3543 |
3061 |
0.864 |
192 |
1359 |
|
|
17 |
A" |
3500 |
2965 |
0.847 |
192 |
1360 |
|
|
18 |
A" |
1679 |
1453 |
0.865 |
192 |
1361 |
|
|
19 |
A" |
1156 |
1110 |
0.961 |
192 |
1362 |
|
|
20 |
A" |
1109 |
1011 |
0.911 |
192 |
1363 |
|
|
21 |
A" |
973 |
842 |
0.865 |
192 |
1364 |
|
|
22 |
A" |
570 |
523 |
0.918 |
192 |
1365 |
|
|
23 |
A" |
348 |
322 |
0.924 |
192 |
1366 |
C4H6 |
Cyclobutene |
1 |
A1 |
3539 |
3060 |
0.865 |
193 |
1367 |
|
|
2 |
A1 |
3383 |
2935 |
0.868 |
193 |
1368 |
|
|
3 |
A1 |
1816 |
1570 |
0.865 |
193 |
1369 |
|
|
4 |
A1 |
1669 |
1450 |
0.869 |
193 |
1370 |
|
|
5 |
A1 |
1372 |
1276 |
0.930 |
193 |
1371 |
|
|
6 |
A1 |
1238 |
1186 |
0.958 |
193 |
1372 |
|
|
7 |
A1 |
1097 |
1113 |
1.015 |
193 |
1373 |
|
|
8 |
A1 |
1023 |
886 |
0.866 |
193 |
1374 |
|
|
9 |
A2 |
3496 |
2955 |
0.845 |
193 |
1375 |
|
|
10 |
A2 |
1282 |
1276 |
0.995 |
193 |
1376 |
|
|
11 |
A2 |
1134 |
1081 |
0.953 |
193 |
1377 |
|
|
12 |
A2 |
1006 |
850 |
0.845 |
193 |
1378 |
|
|
13 |
A2 |
341 |
325 |
0.953 |
193 |
1379 |
|
|
14 |
B1 |
3502 |
2955 |
0.844 |
193 |
1380 |
|
|
15 |
B1 |
1200 |
1074 |
0.895 |
193 |
1381 |
|
|
16 |
B1 |
934 |
846 |
0.906 |
193 |
1382 |
|
|
17 |
B1 |
722 |
635 |
0.880 |
193 |
1383 |
|
|
18 |
B2 |
3491 |
3047 |
0.873 |
193 |
1384 |
|
|
19 |
B2 |
3376 |
2916 |
0.864 |
193 |
1385 |
|
|
20 |
B2 |
1653 |
1427 |
0.863 |
193 |
1386 |
|
|
21 |
B2 |
1463 |
1294 |
0.885 |
193 |
1387 |
|
|
22 |
B2 |
1348 |
1214 |
0.901 |
193 |
1388 |
|
|
23 |
B2 |
1006 |
888 |
0.883 |
193 |
1389 |
|
|
24 |
B2 |
936 |
740 |
0.791 |
193 |
1390 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3428 |
3010 |
0.878 |
194 |
1391 |
|
|
2 |
A1 |
3422 |
3002 |
0.877 |
194 |
1392 |
|
|
3 |
A1 |
2033 |
1743 |
0.857 |
194 |
1393 |
|
|
4 |
A1 |
1634 |
1437 |
0.879 |
194 |
1394 |
|
|
5 |
A1 |
1583 |
1410 |
0.891 |
194 |
1395 |
|
|
6 |
A1 |
1246 |
1036 |
0.831 |
194 |
1396 |
|
|
7 |
A1 |
1161 |
1002 |
0.863 |
194 |
1397 |
|
|
8 |
A1 |
852 |
723 |
0.849 |
194 |
1398 |
|
|
9 |
A2 |
3560 |
3051 |
0.857 |
194 |
1399 |
|
|
10 |
A2 |
1274 |
1144 |
0.898 |
194 |
1400 |
|
|
11 |
A2 |
1043 |
937 |
0.898 |
194 |
1401 |
|
|
12 |
A2 |
680 |
616 |
0.906 |
194 |
1402 |
|
|
13 |
B1 |
3566 |
3071 |
0.861 |
194 |
1403 |
|
|
14 |
B1 |
1195 |
1072 |
0.897 |
194 |
1404 |
|
|
15 |
B1 |
993 |
889 |
0.895 |
194 |
1405 |
|
|
16 |
B1 |
827 |
748 |
0.905 |
194 |
1406 |
|
|
17 |
B1 |
328 |
360 |
1.099 |
194 |
1407 |
|
|
18 |
B2 |
3576 |
3086 |
0.863 |
194 |
1408 |
|
|
19 |
B2 |
3416 |
2999 |
0.878 |
194 |
1409 |
|
|
20 |
B2 |
1599 |
1353 |
0.846 |
194 |
1410 |
|
|
21 |
B2 |
1278 |
1174 |
0.919 |
194 |
1411 |
|
|
22 |
B2 |
1208 |
1125 |
0.931 |
194 |
1412 |
|
|
23 |
B2 |
1003 |
792 |
0.790 |
194 |
1413 |
|
|
24 |
B2 |
372 |
290 |
0.779 |
194 |
1414 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3541 |
3345 |
0.945 |
195 |
1415 |
|
|
2 |
A' |
3527 |
2985 |
0.846 |
195 |
1416 |
|
|
3 |
A' |
3379 |
2840 |
0.840 |
195 |
1417 |
|
|
4 |
A' |
3350 |
2860 |
0.854 |
195 |
1418 |
|
|
5 |
A' |
1884 |
1622 |
0.861 |
195 |
1419 |
|
|
6 |
A' |
1704 |
1487 |
0.873 |
195 |
1420 |
|
|
7 |
A' |
1666 |
1465 |
0.880 |
195 |
1421 |
|
|
8 |
A' |
1585 |
1378 |
0.869 |
195 |
1422 |
|
|
9 |
A' |
1502 |
1397 |
0.930 |
195 |
1423 |
|
|
10 |
A' |
1285 |
1016 |
0.791 |
195 |
1424 |
|
|
11 |
A' |
1152 |
1086 |
0.942 |
195 |
1425 |
|
|
12 |
A' |
1045 |
892 |
0.853 |
195 |
1426 |
|
|
13 |
A' |
952 |
773 |
0.812 |
195 |
1427 |
|
|
14 |
A' |
405 |
403 |
0.994 |
195 |
1428 |
|
|
15 |
A" |
3726 |
3412 |
0.916 |
195 |
1429 |
|
|
16 |
A" |
3527 |
2924 |
0.829 |
195 |
1430 |
|
|
17 |
A" |
3488 |
2906 |
0.833 |
195 |
1431 |
|
|
18 |
A" |
1698 |
1455 |
0.857 |
195 |
1432 |
|
|
19 |
A" |
1530 |
1238 |
0.809 |
195 |
1433 |
|
|
20 |
A" |
1397 |
1293 |
0.926 |
195 |
1434 |
|
|
21 |
A" |
1101 |
1117 |
1.014 |
195 |
1435 |
|
|
22 |
A" |
843 |
816 |
0.968 |
195 |
1436 |
|
|
23 |
A" |
321 |
259 |
0.806 |
195 |
1437 |
|
|
24 |
A" |
229 |
218 |
0.951 |
195 |
1438 |
C4H5N |
Pyrrole |
1 |
A1 |
3851 |
3531 |
0.917 |
196 |
1439 |
|
|
2 |
A1 |
3583 |
3149 |
0.879 |
196 |
1440 |
|
|
3 |
A1 |
3552 |
3128 |
0.881 |
196 |
1441 |
|
|
4 |
A1 |
1642 |
1472 |
0.896 |
196 |
1442 |
|
|
5 |
A1 |
1549 |
1401 |
0.904 |
196 |
1443 |
|
|
6 |
A1 |
1253 |
1148 |
0.916 |
196 |
1444 |
|
|
7 |
A1 |
1163 |
1075 |
0.924 |
196 |
1445 |
|
|
8 |
A1 |
1107 |
1017 |
0.919 |
196 |
1446 |
|
|
9 |
A1 |
931 |
882 |
0.946 |
196 |
1447 |
|
|
10 |
A2 |
960 |
864 |
0.900 |
196 |
1448 |
|
|
11 |
A2 |
760 |
692 |
0.910 |
196 |
1449 |
|
|
12 |
A2 |
658 |
614 |
0.933 |
196 |
1450 |
|
|
13 |
B1 |
914 |
827 |
0.904 |
196 |
1451 |
|
|
14 |
B1 |
782 |
722 |
0.924 |
196 |
1452 |
|
|
15 |
B1 |
656 |
621 |
0.946 |
196 |
1453 |
|
|
16 |
B1 |
446 |
475 |
1.064 |
196 |
1454 |
|
|
17 |
B2 |
3569 |
3143 |
0.881 |
196 |
1455 |
|
|
18 |
B2 |
3541 |
3119 |
0.881 |
196 |
1456 |
|
|
19 |
B2 |
1729 |
1519 |
0.878 |
196 |
1457 |
|
|
20 |
B2 |
1601 |
1424 |
0.890 |
196 |
1458 |
|
|
21 |
B2 |
1384 |
1288 |
0.931 |
196 |
1459 |
|
|
22 |
B2 |
1208 |
1134 |
0.938 |
196 |
1460 |
|
|
23 |
B2 |
1142 |
1049 |
0.919 |
196 |
1461 |
|
|
24 |
B2 |
918 |
866 |
0.942 |
196 |
1462 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3607 |
3120 |
0.865 |
197 |
1463 |
|
|
2 |
A' |
3487 |
3052 |
0.875 |
197 |
1464 |
|
|
3 |
A' |
3454 |
3044 |
0.881 |
197 |
1465 |
|
|
4 |
A' |
2432 |
2264 |
0.931 |
197 |
1466 |
|
|
5 |
A' |
1641 |
1468 |
0.895 |
197 |
1467 |
|
|
6 |
A' |
1485 |
1344 |
0.905 |
197 |
1468 |
|
|
7 |
A' |
1320 |
1195 |
0.905 |
197 |
1469 |
|
|
8 |
A' |
1229 |
1125 |
0.915 |
197 |
1470 |
|
|
9 |
A' |
1207 |
1049 |
0.869 |
197 |
1471 |
|
|
10 |
A' |
1064 |
941 |
0.885 |
197 |
1472 |
|
|
11 |
A' |
856 |
808 |
0.944 |
197 |
1473 |
|
|
12 |
A' |
820 |
736 |
0.898 |
197 |
1474 |
|
|
13 |
A' |
541 |
527 |
0.974 |
197 |
1475 |
|
|
14 |
A' |
217 |
222 |
1.021 |
197 |
1476 |
|
|
15 |
A" |
3602 |
3094 |
0.859 |
197 |
1477 |
|
|
16 |
A" |
3446 |
3040 |
0.882 |
197 |
1478 |
|
|
17 |
A" |
1598 |
1442 |
0.903 |
197 |
1479 |
|
|
18 |
A" |
1295 |
1180 |
0.911 |
197 |
1480 |
|
|
19 |
A" |
1223 |
1070 |
0.875 |
197 |
1481 |
|
|
20 |
A" |
1216 |
1088 |
0.895 |
197 |
1482 |
|
|
21 |
A" |
1059 |
880 |
0.831 |
197 |
1483 |
|
|
22 |
A" |
902 |
821 |
0.910 |
197 |
1484 |
|
|
23 |
A" |
559 |
543 |
0.971 |
197 |
1485 |
|
|
24 |
A" |
217 |
222 |
1.022 |
197 |
1486 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3525 |
3063 |
0.869 |
198 |
1487 |
|
|
2 |
A1 |
3486 |
3043 |
0.873 |
198 |
1488 |
|
|
3 |
A1 |
1699 |
1572 |
0.925 |
198 |
1489 |
|
|
4 |
A1 |
1527 |
1414 |
0.926 |
198 |
1490 |
|
|
5 |
A1 |
1233 |
1283 |
1.040 |
198 |
1491 |
|
|
6 |
A1 |
1168 |
1160 |
0.993 |
198 |
1492 |
|
|
7 |
A1 |
1101 |
1063 |
0.966 |
198 |
1493 |
|
|
8 |
A1 |
1005 |
964 |
0.960 |
198 |
1494 |
|
|
9 |
A1 |
679 |
619 |
0.912 |
198 |
1495 |
|
|
10 |
A2 |
1069 |
936 |
0.876 |
198 |
1496 |
|
|
11 |
A2 |
970 |
863 |
0.889 |
198 |
1497 |
|
|
12 |
A2 |
775 |
751 |
0.969 |
198 |
1498 |
|
|
13 |
A2 |
365 |
421 |
1.152 |
198 |
1499 |
|
|
14 |
B1 |
1015 |
|
|
198 |
1500 |
|
|
15 |
B1 |
783 |
760 |
0.971 |
198 |
1501 |
|
|
16 |
B1 |
365 |
370 |
1.013 |
198 |
1502 |
|
|
17 |
B2 |
3509 |
3075 |
0.876 |
198 |
1503 |
|
|
18 |
B2 |
3481 |
3043 |
0.874 |
198 |
1504 |
|
|
19 |
B2 |
1694 |
1565 |
0.924 |
198 |
1505 |
|
|
20 |
B2 |
1498 |
1444 |
0.964 |
198 |
1506 |
|
|
21 |
B2 |
1325 |
1239 |
0.935 |
198 |
1507 |
|
|
22 |
B2 |
1134 |
1052 |
0.928 |
198 |
1508 |
|
|
23 |
B2 |
1071 |
1009 |
0.942 |
198 |
1509 |
|
|
24 |
B2 |
641 |
664 |
1.035 |
198 |
1510 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3523 |
3082 |
0.875 |
199 |
1511 |
|
|
2 |
A1 |
3477 |
3053 |
0.878 |
199 |
1512 |
|
|
3 |
A1 |
3467 |
3049 |
0.879 |
199 |
1513 |
|
|
4 |
A1 |
1686 |
1572 |
0.932 |
199 |
1514 |
|
|
5 |
A1 |
1441 |
1465 |
1.017 |
199 |
1515 |
|
|
6 |
A1 |
1187 |
1155 |
0.973 |
199 |
1516 |
|
|
7 |
A1 |
1122 |
1065 |
0.949 |
199 |
1517 |
|
|
8 |
A1 |
1007 |
969 |
0.962 |
199 |
1518 |
|
|
9 |
A1 |
687 |
679 |
0.988 |
199 |
1519 |
|
|
10 |
A2 |
1015 |
960 |
0.946 |
199 |
1520 |
|
|
11 |
A2 |
395 |
398 |
1.007 |
199 |
1521 |
|
|
12 |
B1 |
1055 |
1033 |
0.979 |
199 |
1522 |
|
|
13 |
B1 |
987 |
980 |
0.993 |
199 |
1523 |
|
|
14 |
B1 |
810 |
804 |
0.993 |
199 |
1524 |
|
|
15 |
B1 |
781 |
719 |
0.921 |
199 |
1525 |
|
|
16 |
B1 |
363 |
347 |
0.956 |
199 |
1526 |
|
|
17 |
B2 |
3480 |
3047 |
0.875 |
199 |
1527 |
|
|
18 |
B2 |
1677 |
1569 |
0.935 |
199 |
1528 |
|
|
19 |
B2 |
1558 |
1411 |
0.906 |
199 |
1529 |
|
|
20 |
B2 |
1432 |
1356 |
0.947 |
199 |
1530 |
|
|
21 |
B2 |
1280 |
1224 |
0.956 |
199 |
1531 |
|
|
22 |
B2 |
1168 |
1158 |
0.992 |
199 |
1532 |
|
|
23 |
B2 |
1132 |
1071 |
0.946 |
199 |
1533 |
|
|
24 |
B2 |
642 |
621 |
0.967 |
199 |
1534 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3494 |
3055 |
0.874 |
200 |
1535 |
|
|
2 |
Ag |
1695 |
1580 |
0.932 |
200 |
1536 |
|
|
3 |
Ag |
1302 |
1233 |
0.947 |
200 |
1537 |
|
|
4 |
Ag |
1065 |
1016 |
0.954 |
200 |
1538 |
|
|
5 |
Ag |
629 |
602 |
0.957 |
200 |
1539 |
|
|
6 |
Au |
1035 |
960 |
0.928 |
200 |
1540 |
|
|
7 |
Au |
353 |
350 |
0.992 |
200 |
1541 |
|
|
8 |
B1g |
965 |
927 |
0.960 |
200 |
1542 |
|
|
9 |
B1u |
3473 |
3012 |
0.867 |
200 |
1543 |
|
|
10 |
B1u |
1579 |
1483 |
0.939 |
200 |
1544 |
|
|
11 |
B1u |
1184 |
1130 |
0.954 |
200 |
1545 |
|
|
12 |
B1u |
1046 |
1018 |
0.973 |
200 |
1546 |
|
|
13 |
B2g |
1016 |
983 |
0.967 |
200 |
1547 |
|
|
14 |
B2g |
783 |
756 |
0.966 |
200 |
1548 |
|
|
15 |
B2u |
3488 |
3069 |
0.880 |
200 |
1549 |
|
|
16 |
B2u |
1483 |
1411 |
0.951 |
200 |
1550 |
|
|
17 |
B2u |
1182 |
1149 |
0.972 |
200 |
1551 |
|
|
18 |
B2u |
1132 |
1063 |
0.939 |
200 |
1552 |
|
|
19 |
B3g |
3476 |
3040 |
0.875 |
200 |
1553 |
|
|
20 |
B3g |
1615 |
1525 |
0.944 |
200 |
1554 |
|
|
21 |
B3g |
1402 |
1346 |
0.960 |
200 |
1555 |
|
|
22 |
B3g |
713 |
704 |
0.987 |
200 |
1556 |
|
|
23 |
B3u |
821 |
785 |
0.956 |
200 |
1557 |
|
|
24 |
B3u |
406 |
418 |
1.030 |
200 |
1558 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3781 |
3675 |
0.972 |
201 |
1559 |
|
|
2 |
A |
3593 |
3102 |
0.863 |
201 |
1560 |
|
|
3 |
A |
3494 |
3022 |
0.865 |
201 |
1561 |
|
|
4 |
A |
3438 |
2995 |
0.871 |
201 |
1562 |
|
|
5 |
A |
3372 |
2934 |
0.870 |
201 |
1563 |
|
|
6 |
A |
3265 |
2866 |
0.878 |
201 |
1564 |
|
|
7 |
A |
1889 |
1654 |
0.876 |
201 |
1565 |
|
|
8 |
A |
1684 |
1453 |
0.863 |
201 |
1566 |
|
|
9 |
A |
1630 |
1414 |
0.867 |
201 |
1567 |
|
|
10 |
A |
1572 |
1384 |
0.880 |
201 |
1568 |
|
|
11 |
A |
1417 |
1320 |
0.931 |
201 |
1569 |
|
|
12 |
A |
1384 |
1293 |
0.935 |
201 |
1570 |
|
|
13 |
A |
1317 |
1191 |
0.904 |
201 |
1571 |
|
|
14 |
A |
1215 |
1132 |
0.931 |
201 |
1572 |
|
|
15 |
A |
1175 |
1110 |
0.944 |
201 |
1573 |
|
|
16 |
A |
1121 |
1038 |
0.925 |
201 |
1574 |
|
|
17 |
A |
1030 |
995 |
0.966 |
201 |
1575 |
|
|
18 |
A |
1018 |
919 |
0.903 |
201 |
1576 |
|
|
19 |
A |
979 |
885 |
0.904 |
201 |
1577 |
|
|
20 |
A |
683 |
606 |
0.887 |
201 |
1578 |
|
|
22 |
A |
330 |
377 |
1.143 |
201 |
1579 |
|
|
23 |
A |
317 |
277 |
0.875 |
201 |
1580 |
|
|
24 |
A |
88 |
188 |
2.129 |
201 |
1581 |
CH3CH2CHO |
Propanal |
1 |
A' |
3537 |
2981 |
0.843 |
202 |
1582 |
|
|
2 |
A' |
3368 |
2904 |
0.862 |
202 |
1583 |
|
|
3 |
A' |
3364 |
2895 |
0.861 |
202 |
1584 |
|
|
4 |
A' |
3221 |
2809 |
0.872 |
202 |
1585 |
|
|
5 |
A' |
1898 |
1743 |
0.918 |
202 |
1586 |
|
|
6 |
A' |
1699 |
1460 |
0.859 |
202 |
1587 |
|
|
7 |
A' |
1659 |
1416 |
0.853 |
202 |
1588 |
|
|
8 |
A' |
1590 |
1390 |
0.874 |
202 |
1589 |
|
|
9 |
A' |
1502 |
1376 |
0.916 |
202 |
1590 |
|
|
10 |
A' |
1479 |
1335 |
0.903 |
202 |
1591 |
|
|
11 |
A' |
1206 |
1093 |
0.907 |
202 |
1592 |
|
|
12 |
A' |
1099 |
993 |
0.904 |
202 |
1593 |
|
|
13 |
A' |
916 |
848 |
0.926 |
202 |
1594 |
|
|
14 |
A' |
676 |
668 |
0.988 |
202 |
1595 |
|
|
15 |
A' |
238 |
271 |
1.138 |
202 |
1596 |
|
|
16 |
A" |
3539 |
2992 |
0.846 |
202 |
1597 |
|
|
17 |
A" |
3469 |
2942 |
0.848 |
202 |
1598 |
|
|
18 |
A" |
1693 |
1451 |
0.857 |
202 |
1599 |
|
|
19 |
A" |
1391 |
1250 |
0.898 |
202 |
1600 |
|
|
20 |
A" |
1205 |
1118 |
0.928 |
202 |
1601 |
|
|
21 |
A" |
931 |
892 |
0.958 |
202 |
1602 |
|
|
22 |
A" |
741 |
660 |
0.891 |
202 |
1603 |
|
|
23 |
A" |
210 |
220 |
1.049 |
202 |
1604 |
|
|
24 |
A" |
97 |
135 |
1.399 |
202 |
1605 |
C3H6O |
Oxetane |
1 |
A1 |
3413 |
2959 |
0.867 |
203 |
1606 |
|
|
2 |
A1 |
3323 |
2930 |
0.882 |
203 |
1607 |
|
|
3 |
A1 |
1694 |
1473 |
0.869 |
203 |
1608 |
|
|
4 |
A1 |
1657 |
1461 |
0.882 |
203 |
1609 |
|
|
5 |
A1 |
1487 |
1342 |
0.903 |
203 |
1610 |
|
|
6 |
A1 |
1148 |
1134 |
0.987 |
203 |
1611 |
|
|
7 |
A1 |
1033 |
1018 |
0.986 |
203 |
1612 |
|
|
8 |
A1 |
864 |
908 |
1.051 |
203 |
1613 |
|
|
9 |
A2 |
3430 |
3000 |
0.875 |
203 |
1614 |
|
|
10 |
A2 |
1326 |
1283 |
0.968 |
203 |
1615 |
|
|
11 |
A2 |
1193 |
1185 |
0.993 |
203 |
1616 |
|
|
12 |
A2 |
898 |
986 |
1.098 |
203 |
1617 |
|
|
13 |
B1 |
3540 |
3007 |
0.849 |
203 |
1618 |
|
|
14 |
B1 |
3432 |
2940 |
0.857 |
203 |
1619 |
|
|
15 |
B1 |
1288 |
1225 |
0.951 |
203 |
1620 |
|
|
16 |
B1 |
1165 |
1142 |
0.981 |
203 |
1621 |
|
|
17 |
B1 |
821 |
836 |
1.018 |
203 |
1622 |
|
|
18 |
B1 |
116 |
90 |
0.773 |
203 |
1623 |
|
|
19 |
B2 |
3317 |
2966 |
0.894 |
203 |
1624 |
|
|
20 |
B2 |
1669 |
1508 |
0.903 |
203 |
1625 |
|
|
21 |
B2 |
1408 |
1458 |
1.036 |
203 |
1626 |
|
|
22 |
B2 |
1383 |
1363 |
0.986 |
203 |
1627 |
|
|
23 |
B2 |
1188 |
1228 |
1.034 |
203 |
1628 |
|
|
24 |
B2 |
1065 |
936 |
0.879 |
203 |
1629 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3498 |
3018 |
0.863 |
204 |
1630 |
|
|
2 |
A |
3439 |
2985 |
0.868 |
204 |
1631 |
|
|
3 |
A |
3425 |
2958 |
0.864 |
204 |
1632 |
|
|
4 |
A |
3299 |
2945 |
0.893 |
204 |
1633 |
|
|
5 |
A |
3288 |
2922 |
0.889 |
204 |
1634 |
|
|
6 |
A |
2416 |
2245 |
0.929 |
204 |
1635 |
|
|
7 |
A |
1679 |
1472 |
0.877 |
204 |
1636 |
|
|
8 |
A |
1655 |
1452 |
0.877 |
204 |
1637 |
|
|
9 |
A |
1614 |
1439 |
0.892 |
204 |
1638 |
|
|
10 |
A |
1597 |
1431 |
0.896 |
204 |
1639 |
|
|
11 |
A |
1455 |
1368 |
0.940 |
204 |
1640 |
|
|
12 |
A |
1373 |
1287 |
0.938 |
204 |
1641 |
|
|
13 |
A |
1255 |
1199 |
0.955 |
204 |
1642 |
|
|
14 |
A |
1237 |
1161 |
0.938 |
204 |
1643 |
|
|
15 |
A |
1199 |
1127 |
0.940 |
204 |
1644 |
|
|
16 |
A |
1072 |
1016 |
0.948 |
204 |
1645 |
|
|
17 |
A |
994 |
925 |
0.930 |
204 |
1646 |
|
|
18 |
A |
924 |
890 |
0.964 |
204 |
1647 |
|
|
19 |
A |
606 |
586 |
0.967 |
204 |
1648 |
|
|
20 |
A |
424 |
404 |
0.952 |
204 |
1649 |
|
|
21 |
A |
365 |
347 |
0.950 |
204 |
1650 |
|
|
22 |
A |
260 |
243 |
0.936 |
204 |
1651 |
|
|
23 |
A |
179 |
170 |
0.951 |
204 |
1652 |
|
|
24 |
A |
120 |
113 |
0.941 |
204 |
1653 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3517 |
2990 |
0.850 |
205 |
1654 |
|
|
2 |
A |
3501 |
2983 |
0.852 |
205 |
1655 |
|
|
3 |
A |
3330 |
2913 |
0.875 |
205 |
1656 |
|
|
4 |
A |
1696 |
1426 |
0.841 |
205 |
1657 |
|
|
5 |
A |
1684 |
1419 |
0.843 |
205 |
1658 |
|
|
6 |
A |
1554 |
1311 |
0.843 |
205 |
1659 |
|
|
7 |
A |
1078 |
955 |
0.886 |
205 |
1660 |
|
|
8 |
A |
1075 |
949 |
0.883 |
205 |
1661 |
|
|
9 |
A |
842 |
694 |
0.824 |
205 |
1662 |
|
|
10 |
A |
609 |
509 |
0.835 |
205 |
1663 |
|
|
11 |
A |
249 |
240 |
0.963 |
205 |
1664 |
|
|
12 |
A |
136 |
134 |
0.984 |
205 |
1665 |
|
|
13 |
A |
89 |
117 |
1.322 |
205 |
1666 |
|
|
14 |
B |
3517 |
2990 |
0.850 |
205 |
1667 |
|
|
15 |
B |
3500 |
2983 |
0.852 |
205 |
1668 |
|
|
16 |
B |
3330 |
2915 |
0.875 |
205 |
1669 |
|
|
17 |
B |
1698 |
1430 |
0.842 |
205 |
1670 |
|
|
18 |
B |
1681 |
1415 |
0.842 |
205 |
1671 |
|
|
19 |
B |
1544 |
1303 |
0.844 |
205 |
1672 |
|
|
20 |
B |
1078 |
955 |
0.886 |
205 |
1673 |
|
|
21 |
B |
1068 |
949 |
0.889 |
205 |
1674 |
|
|
22 |
B |
848 |
691 |
0.814 |
205 |
1675 |
|
|
23 |
B |
284 |
274 |
0.966 |
205 |
1676 |
|
|
24 |
B |
148 |
134 |
0.907 |
205 |
1677 |
C3H8 |
Propane |
1 |
A1 |
3532 |
2977 |
0.843 |
206 |
1678 |
|
|
2 |
A1 |
3388 |
2962 |
0.874 |
206 |
1679 |
|
|
3 |
A1 |
3357 |
2887 |
0.860 |
206 |
1680 |
|
|
4 |
A1 |
1717 |
1476 |
0.860 |
206 |
1681 |
|
|
5 |
A1 |
1685 |
1462 |
0.868 |
206 |
1682 |
|
|
6 |
A1 |
1601 |
1392 |
0.870 |
206 |
1683 |
|
|
7 |
A1 |
1293 |
1158 |
0.896 |
206 |
1684 |
|
|
8 |
A1 |
971 |
869 |
0.895 |
206 |
1685 |
|
|
9 |
A1 |
385 |
369 |
0.960 |
206 |
1686 |
|
|
10 |
A2 |
3530 |
2967 |
0.840 |
206 |
1687 |
|
|
11 |
A2 |
1699 |
1451 |
0.854 |
206 |
1688 |
|
|
12 |
A2 |
1438 |
1278 |
0.889 |
206 |
1689 |
|
|
13 |
A2 |
1006 |
940 |
0.935 |
206 |
1690 |
|
|
14 |
A2 |
218 |
216 |
0.990 |
206 |
1691 |
|
|
15 |
B1 |
3534 |
2973 |
0.841 |
206 |
1692 |
|
|
16 |
B1 |
3493 |
2968 |
0.850 |
206 |
1693 |
|
|
17 |
B1 |
1706 |
1472 |
0.863 |
206 |
1694 |
|
|
18 |
B1 |
1340 |
1192 |
0.889 |
206 |
1695 |
|
|
19 |
B1 |
817 |
748 |
0.916 |
206 |
1696 |
|
|
20 |
B1 |
260 |
268 |
1.029 |
206 |
1697 |
|
|
21 |
B2 |
3530 |
2968 |
0.841 |
206 |
1698 |
|
|
22 |
B2 |
3357 |
2887 |
0.860 |
206 |
1699 |
|
|
23 |
B2 |
1706 |
1464 |
0.858 |
206 |
1700 |
|
|
24 |
B2 |
1591 |
1378 |
0.866 |
206 |
1701 |
|
|
25 |
B2 |
1521 |
1338 |
0.880 |
206 |
1702 |
|
|
26 |
B2 |
1176 |
1054 |
0.896 |
206 |
1703 |
|
|
27 |
B2 |
1033 |
922 |
0.892 |
206 |
1704 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3555 |
3091 |
0.870 |
207 |
1705 |
|
|
2 |
A1 |
3520 |
3075 |
0.874 |
207 |
1706 |
|
|
3 |
A1 |
3356 |
2886 |
0.860 |
207 |
1707 |
|
|
4 |
A1 |
1729 |
1500 |
0.868 |
207 |
1708 |
|
|
5 |
A1 |
1615 |
1378 |
0.853 |
207 |
1709 |
|
|
6 |
A1 |
1521 |
1365 |
0.897 |
207 |
1710 |
|
|
7 |
A1 |
1207 |
1106 |
0.917 |
207 |
1711 |
|
|
8 |
A1 |
1092 |
994 |
0.911 |
207 |
1712 |
|
|
9 |
A1 |
1007 |
915 |
0.909 |
207 |
1713 |
|
|
10 |
A1 |
855 |
802 |
0.938 |
207 |
1714 |
|
|
11 |
A2 |
1229 |
1100 |
0.895 |
207 |
1715 |
|
|
12 |
A2 |
1022 |
941 |
0.921 |
207 |
1716 |
|
|
13 |
A2 |
780 |
700 |
0.897 |
207 |
1717 |
|
|
14 |
A2 |
552 |
516 |
0.935 |
207 |
1718 |
|
|
15 |
B1 |
3452 |
2900 |
0.840 |
207 |
1719 |
|
|
16 |
B1 |
1031 |
925 |
0.897 |
207 |
1720 |
|
|
17 |
B1 |
1007 |
891 |
0.885 |
207 |
1721 |
|
|
18 |
B1 |
730 |
664 |
0.910 |
207 |
1722 |
|
|
19 |
B1 |
368 |
350 |
0.951 |
207 |
1723 |
|
|
20 |
B2 |
3544 |
3105 |
0.876 |
207 |
1724 |
|
|
21 |
B2 |
3510 |
3043 |
0.867 |
207 |
1725 |
|
|
22 |
B2 |
1819 |
1580 |
0.869 |
207 |
1726 |
|
|
23 |
B2 |
1437 |
1292 |
0.899 |
207 |
1727 |
|
|
24 |
B2 |
1378 |
1239 |
0.899 |
207 |
1728 |
|
|
25 |
B2 |
1189 |
1090 |
0.917 |
207 |
1729 |
|
|
26 |
B2 |
1067 |
959 |
0.899 |
207 |
1730 |
|
|
27 |
B2 |
861 |
805 |
0.935 |
207 |
1731 |
C5H5N |
Pyridine |
1 |
A1 |
3528 |
3094 |
0.877 |
208 |
1732 |
|
|
2 |
A1 |
3505 |
3073 |
0.877 |
208 |
1733 |
|
|
3 |
A1 |
3477 |
3030 |
0.871 |
208 |
1734 |
|
|
4 |
A1 |
1739 |
1584 |
0.911 |
208 |
1735 |
|
|
5 |
A1 |
1603 |
1483 |
0.925 |
208 |
1736 |
|
|
6 |
A1 |
1296 |
1218 |
0.940 |
208 |
1737 |
|
|
7 |
A1 |
1150 |
1072 |
0.932 |
208 |
1738 |
|
|
8 |
A1 |
1101 |
1032 |
0.937 |
208 |
1739 |
|
|
9 |
A1 |
1036 |
991 |
0.957 |
208 |
1740 |
|
|
10 |
A1 |
638 |
601 |
0.943 |
208 |
1741 |
|
|
11 |
A2 |
1048 |
980 |
0.935 |
208 |
1742 |
|
|
12 |
A2 |
945 |
880 |
0.931 |
208 |
1743 |
|
|
13 |
A2 |
395 |
373 |
0.944 |
208 |
1744 |
|
|
14 |
B1 |
1074 |
1007 |
0.938 |
208 |
1745 |
|
|
15 |
B1 |
992 |
937 |
0.944 |
208 |
1746 |
|
|
16 |
B1 |
773 |
744 |
0.963 |
208 |
1747 |
|
|
17 |
B1 |
761 |
700 |
0.921 |
208 |
1748 |
|
|
18 |
B1 |
420 |
403 |
0.961 |
208 |
1749 |
|
|
19 |
B2 |
3518 |
3087 |
0.877 |
208 |
1750 |
|
|
20 |
B2 |
3477 |
3042 |
0.875 |
208 |
1751 |
|
|
21 |
B2 |
1730 |
1581 |
0.914 |
208 |
1752 |
|
|
22 |
B2 |
1543 |
1442 |
0.934 |
208 |
1753 |
|
|
23 |
B2 |
1440 |
1362 |
0.946 |
208 |
1754 |
|
|
24 |
B2 |
1274 |
1227 |
0.963 |
208 |
1755 |
|
|
25 |
B2 |
1235 |
1143 |
0.926 |
208 |
1756 |
|
|
26 |
B2 |
1142 |
1079 |
0.945 |
208 |
1757 |
|
|
27 |
B2 |
678 |
652 |
0.961 |
208 |
1758 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3536 |
3058 |
0.865 |
209 |
1759 |
|
|
2 |
A' |
3498 |
2995 |
0.856 |
209 |
1760 |
|
|
3 |
A' |
3467 |
2963 |
0.855 |
209 |
1761 |
|
|
4 |
A' |
3344 |
2938 |
0.879 |
209 |
1762 |
|
|
5 |
A' |
3226 |
2805 |
0.870 |
209 |
1763 |
|
|
6 |
A' |
1865 |
1720 |
0.922 |
209 |
1764 |
|
|
7 |
A' |
1841 |
1649 |
0.896 |
209 |
1765 |
|
|
8 |
A' |
1679 |
1455 |
0.866 |
209 |
1766 |
|
|
9 |
A' |
1575 |
1391 |
0.883 |
209 |
1767 |
|
|
10 |
A' |
1494 |
1375 |
0.920 |
209 |
1768 |
|
|
11 |
A' |
1417 |
1304 |
0.920 |
209 |
1769 |
|
|
12 |
A' |
1370 |
1253 |
0.915 |
209 |
1770 |
|
|
13 |
A' |
1226 |
1147 |
0.936 |
209 |
1771 |
|
|
14 |
A' |
1146 |
1074 |
0.937 |
209 |
1772 |
|
|
15 |
A' |
1018 |
973 |
0.956 |
209 |
1773 |
|
|
16 |
A' |
539 |
539 |
1.000 |
209 |
1774 |
|
|
17 |
A' |
472 |
464 |
0.983 |
209 |
1775 |
|
|
18 |
A' |
203 |
230 |
1.133 |
209 |
1776 |
|
|
19 |
A" |
3494 |
2980 |
0.853 |
209 |
1777 |
|
|
20 |
A" |
1674 |
1455 |
0.869 |
209 |
1778 |
|
|
21 |
A" |
1161 |
1042 |
0.898 |
209 |
1779 |
|
|
22 |
A" |
1101 |
973 |
0.884 |
209 |
1780 |
|
|
23 |
A" |
996 |
928 |
0.932 |
209 |
1781 |
|
|
24 |
A" |
811 |
780 |
0.962 |
209 |
1782 |
|
|
25 |
A" |
282 |
295 |
1.045 |
209 |
1783 |
|
|
26 |
A" |
181 |
173 |
0.956 |
209 |
1784 |
|
|
27 |
A" |
124 |
122 |
0.984 |
209 |
1785 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3548 |
3035 |
0.855 |
210 |
1786 |
|
|
2 |
A' |
3506 |
3031 |
0.865 |
210 |
1787 |
|
|
3 |
A' |
3358 |
2966 |
0.883 |
210 |
1788 |
|
|
4 |
A' |
3308 |
2964 |
0.896 |
210 |
1789 |
|
|
5 |
A' |
1923 |
1771 |
0.921 |
210 |
1790 |
|
|
6 |
A' |
1667 |
1460 |
0.876 |
210 |
1791 |
|
|
7 |
A' |
1665 |
1440 |
0.865 |
210 |
1792 |
|
|
8 |
A' |
1581 |
1430 |
0.904 |
210 |
1793 |
|
|
9 |
A' |
1545 |
1375 |
0.890 |
210 |
1794 |
|
|
10 |
A' |
1337 |
1248 |
0.933 |
210 |
1795 |
|
|
11 |
A' |
1245 |
1159 |
0.931 |
210 |
1796 |
|
|
12 |
A' |
1170 |
1060 |
0.906 |
210 |
1797 |
|
|
13 |
A' |
1055 |
980 |
0.929 |
210 |
1798 |
|
|
14 |
A' |
876 |
844 |
0.963 |
210 |
1799 |
|
|
15 |
A' |
626 |
639 |
1.021 |
210 |
1800 |
|
|
16 |
A' |
406 |
429 |
1.057 |
210 |
1801 |
|
|
17 |
A' |
276 |
303 |
1.098 |
210 |
1802 |
|
|
18 |
A" |
3526 |
3005 |
0.852 |
210 |
1803 |
|
|
19 |
A" |
3466 |
2994 |
0.864 |
210 |
1804 |
|
|
20 |
A" |
1665 |
1460 |
0.877 |
210 |
1805 |
|
|
21 |
A" |
1646 |
1430 |
0.869 |
210 |
1806 |
|
|
22 |
A" |
1195 |
1187 |
0.994 |
210 |
1807 |
|
|
23 |
A" |
1116 |
1036 |
0.928 |
210 |
1808 |
|
|
24 |
A" |
556 |
607 |
1.091 |
210 |
1809 |
|
|
25 |
A" |
176 |
187 |
1.060 |
210 |
1810 |
|
|
26 |
A" |
111 |
136 |
1.228 |
210 |
1811 |
|
|
27 |
A" |
50 |
110 |
2.217 |
210 |
1812 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3548 |
3005 |
0.847 |
211 |
1813 |
|
|
2 |
A' |
3533 |
2955 |
0.836 |
211 |
1814 |
|
|
3 |
A' |
3427 |
2927 |
0.854 |
211 |
1815 |
|
|
4 |
A' |
3362 |
2878 |
0.856 |
211 |
1816 |
|
|
5 |
A' |
1689 |
1472 |
0.871 |
211 |
1817 |
|
|
6 |
A' |
1680 |
1454 |
0.866 |
211 |
1818 |
|
|
7 |
A' |
1583 |
1390 |
0.878 |
211 |
1819 |
|
|
8 |
A' |
1401 |
1270 |
0.907 |
211 |
1820 |
|
|
9 |
A' |
1297 |
1163 |
0.896 |
211 |
1821 |
|
|
10 |
A' |
1176 |
1065 |
0.905 |
211 |
1822 |
|
|
11 |
A' |
990 |
888 |
0.897 |
211 |
1823 |
|
|
12 |
A' |
733 |
633 |
0.864 |
211 |
1824 |
|
|
13 |
A' |
433 |
418 |
0.965 |
211 |
1825 |
|
|
14 |
A' |
336 |
336 |
1.000 |
211 |
1826 |
|
|
15 |
A' |
243 |
253 |
1.042 |
211 |
1827 |
|
|
16 |
A" |
3547 |
2997 |
0.845 |
211 |
1828 |
|
|
17 |
A" |
3531 |
2985 |
0.845 |
211 |
1829 |
|
|
18 |
A" |
3362 |
2947 |
0.877 |
211 |
1830 |
|
|
19 |
A" |
1679 |
1472 |
0.877 |
211 |
1831 |
|
|
20 |
A" |
1673 |
1454 |
0.869 |
211 |
1832 |
|
|
21 |
A" |
1571 |
1377 |
0.877 |
211 |
1833 |
|
|
22 |
A" |
1479 |
1334 |
0.902 |
211 |
1834 |
|
|
23 |
A" |
1247 |
1123 |
0.901 |
211 |
1835 |
|
|
24 |
A" |
1050 |
972 |
0.926 |
211 |
1836 |
|
|
25 |
A" |
1028 |
936 |
0.910 |
211 |
1837 |
|
|
26 |
A" |
318 |
317 |
0.997 |
211 |
1838 |
|
|
27 |
A" |
223 |
276 |
1.239 |
211 |
1839 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3551 |
3022 |
0.851 |
212 |
1840 |
|
|
2 |
A |
3538 |
3004 |
0.849 |
212 |
1841 |
|
|
3 |
A |
3523 |
2991 |
0.849 |
212 |
1842 |
|
|
4 |
A |
3435 |
2970 |
0.865 |
212 |
1843 |
|
|
5 |
A |
3398 |
2949 |
0.868 |
212 |
1844 |
|
|
6 |
A |
3368 |
2908 |
0.863 |
212 |
1845 |
|
|
7 |
A |
1677 |
1462 |
0.872 |
212 |
1846 |
|
|
8 |
A |
1670 |
1459 |
0.874 |
212 |
1847 |
|
|
9 |
A |
1625 |
1446 |
0.890 |
212 |
1848 |
|
|
10 |
A |
1568 |
1391 |
0.887 |
212 |
1849 |
|
|
11 |
A |
1486 |
1347 |
0.906 |
212 |
1850 |
|
|
12 |
A |
1411 |
1286 |
0.911 |
212 |
1851 |
|
|
13 |
A |
1345 |
1238 |
0.920 |
212 |
1852 |
|
|
14 |
A |
1304 |
1181 |
0.906 |
212 |
1853 |
|
|
15 |
A |
1233 |
1120 |
0.908 |
212 |
1854 |
|
|
16 |
A |
1164 |
1076 |
0.924 |
212 |
1855 |
|
|
17 |
A |
1122 |
1023 |
0.911 |
212 |
1856 |
|
|
18 |
A |
997 |
890 |
0.893 |
212 |
1857 |
|
|
19 |
A |
936 |
850 |
0.908 |
212 |
1858 |
|
|
20 |
A |
865 |
750 |
0.867 |
212 |
1859 |
|
|
21 |
A |
790 |
685 |
0.867 |
212 |
1860 |
|
|
22 |
A |
418 |
417 |
0.997 |
212 |
1861 |
|
|
23 |
A |
357 |
358 |
1.002 |
212 |
1862 |
|
|
24 |
A |
277 |
285 |
1.027 |
212 |
1863 |
|
|
25 |
A |
231 |
250 |
1.084 |
212 |
1864 |
|
|
26 |
A |
192 |
203 |
1.057 |
212 |
1865 |
|
|
27 |
A |
101 |
108 |
1.072 |
212 |
1866 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3537 |
2989 |
0.845 |
213 |
1867 |
|
|
2 |
A1 |
3442 |
2941 |
0.854 |
213 |
1868 |
|
|
3 |
A1 |
3345 |
2911 |
0.870 |
213 |
1869 |
|
|
4 |
A1 |
1912 |
1661 |
0.869 |
213 |
1870 |
|
|
5 |
A1 |
1692 |
1470 |
0.869 |
213 |
1871 |
|
|
6 |
A1 |
1599 |
1416 |
0.886 |
213 |
1872 |
|
|
7 |
A1 |
1570 |
1366 |
0.870 |
213 |
1873 |
|
|
8 |
A1 |
1176 |
1064 |
0.905 |
213 |
1874 |
|
|
9 |
A1 |
877 |
801 |
0.913 |
213 |
1875 |
|
|
10 |
A1 |
381 |
383 |
1.005 |
213 |
1876 |
|
|
11 |
A2 |
3499 |
2970 |
0.849 |
213 |
1877 |
|
|
12 |
A2 |
1679 |
1459 |
0.869 |
213 |
1878 |
|
|
13 |
A2 |
1122 |
1076 |
0.959 |
213 |
1879 |
|
|
14 |
A2 |
777 |
|
|
213 |
1880 |
|
|
15 |
A2 |
145 |
193 |
1.327 |
213 |
1881 |
|
|
16 |
B1 |
3500 |
2945 |
0.842 |
213 |
1882 |
|
|
17 |
B1 |
1686 |
1444 |
0.857 |
213 |
1883 |
|
|
18 |
B1 |
1209 |
1079 |
0.893 |
213 |
1884 |
|
|
19 |
B1 |
995 |
890 |
0.895 |
213 |
1885 |
|
|
20 |
B1 |
447 |
429 |
0.961 |
213 |
1886 |
|
|
21 |
B1 |
173 |
196 |
1.131 |
213 |
1887 |
|
|
22 |
B2 |
3596 |
3086 |
0.858 |
213 |
1888 |
|
|
23 |
B2 |
3535 |
2980 |
0.843 |
213 |
1889 |
|
|
24 |
B2 |
3344 |
2893 |
0.865 |
213 |
1890 |
|
|
25 |
B2 |
1689 |
1458 |
0.863 |
213 |
1891 |
|
|
26 |
B2 |
1581 |
1381 |
0.874 |
213 |
1892 |
|
|
27 |
B2 |
1424 |
1282 |
0.900 |
213 |
1893 |
|
|
28 |
B2 |
1062 |
1043 |
0.982 |
213 |
1894 |
|
|
29 |
B2 |
1059 |
974 |
0.920 |
213 |
1895 |
|
|
30 |
B2 |
442 |
430 |
0.972 |
213 |
1896 |
C6H6 |
Benzene |
1 |
A1g |
3528 |
3062 |
0.868 |
214 |
1897 |
|
|
2 |
A1g |
1089 |
992 |
0.911 |
214 |
1898 |
|
|
3 |
A2g |
1468 |
1326 |
0.903 |
214 |
1899 |
|
|
4 |
A2u |
729 |
673 |
0.923 |
214 |
1900 |
|
|
5 |
B1u |
3491 |
3068 |
0.879 |
214 |
1901 |
|
|
6 |
B1u |
1072 |
1010 |
0.942 |
214 |
1902 |
|
|
7 |
B2g |
1085 |
995 |
0.917 |
214 |
1903 |
|
|
8 |
B2g |
762 |
703 |
0.923 |
214 |
1904 |
|
|
9 |
B2u |
1375 |
1310 |
0.953 |
214 |
1905 |
|
|
10 |
B2u |
1248 |
1150 |
0.922 |
214 |
1906 |
|
|
11 |
E1g |
927 |
849 |
0.915 |
214 |
1907 |
|
|
12 |
E1u |
3517 |
3063 |
0.871 |
214 |
1908 |
|
|
13 |
E1u |
1634 |
1486 |
0.910 |
214 |
1909 |
|
|
14 |
E1u |
1137 |
1038 |
0.913 |
214 |
1910 |
|
|
15 |
E2g |
3503 |
3047 |
0.870 |
214 |
1911 |
|
|
16 |
E2g |
1779 |
1596 |
0.897 |
214 |
1912 |
|
|
17 |
E2g |
1273 |
1178 |
0.925 |
214 |
1913 |
|
|
18 |
E2g |
648 |
606 |
0.935 |
214 |
1914 |
|
|
19 |
E2u |
1060 |
975 |
0.920 |
214 |
1915 |
|
|
20 |
E2u |
431 |
410 |
0.951 |
214 |
1916 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3595 |
3088 |
0.859 |
215 |
1917 |
|
|
2 |
A |
3548 |
3017 |
0.850 |
215 |
1918 |
|
|
3 |
A |
3532 |
3011 |
0.852 |
215 |
1919 |
|
|
4 |
A |
3503 |
2990 |
0.853 |
215 |
1920 |
|
|
5 |
A |
3440 |
2974 |
0.865 |
215 |
1921 |
|
|
6 |
A |
3434 |
2967 |
0.864 |
215 |
1922 |
|
|
7 |
A |
3362 |
2927 |
0.871 |
215 |
1923 |
|
|
8 |
A |
1870 |
1645 |
0.880 |
215 |
1924 |
|
|
9 |
A |
1680 |
1452 |
0.864 |
215 |
1925 |
|
|
10 |
A |
1674 |
1447 |
0.864 |
215 |
1926 |
|
|
11 |
A |
1582 |
1424 |
0.900 |
215 |
1927 |
|
|
12 |
A |
1571 |
1375 |
0.875 |
215 |
1928 |
|
|
13 |
A |
1446 |
1297 |
0.897 |
215 |
1929 |
|
|
14 |
A |
1409 |
1283 |
0.910 |
215 |
1930 |
|
|
15 |
A |
1355 |
1233 |
0.910 |
215 |
1931 |
|
|
16 |
A |
1282 |
1174 |
0.916 |
215 |
1932 |
|
|
17 |
A |
1203 |
1090 |
0.906 |
215 |
1933 |
|
|
18 |
A |
1137 |
1025 |
0.901 |
215 |
1934 |
|
|
19 |
A |
1114 |
988 |
0.887 |
215 |
1935 |
|
|
20 |
A |
1062 |
966 |
0.910 |
215 |
1936 |
|
|
21 |
A |
1025 |
931 |
0.909 |
215 |
1937 |
|
|
22 |
A |
950 |
864 |
0.910 |
215 |
1938 |
|
|
23 |
A |
798 |
708 |
0.887 |
215 |
1939 |
|
|
24 |
A |
692 |
625 |
0.904 |
215 |
1940 |
|
|
25 |
A |
488 |
456 |
0.934 |
215 |
1941 |
|
|
26 |
A |
320 |
319 |
0.995 |
215 |
1942 |
|
|
27 |
A |
306 |
305 |
0.995 |
215 |
1943 |
|
|
28 |
A |
275 |
283 |
1.027 |
215 |
1944 |
|
|
29 |
A |
232 |
245 |
1.057 |
215 |
1945 |
|
|
30 |
A |
94 |
92 |
0.975 |
215 |
1946 |
C5H8 |
Cyclopentene |
1 |
A' |
3534 |
3066 |
0.868 |
216 |
1947 |
|
|
2 |
A' |
3518 |
2958 |
0.841 |
216 |
1948 |
|
|
3 |
A' |
3471 |
2916 |
0.840 |
216 |
1949 |
|
|
4 |
A' |
3407 |
2902 |
0.852 |
216 |
1950 |
|
|
5 |
A' |
3370 |
2852 |
0.846 |
216 |
1951 |
|
|
6 |
A' |
1876 |
1616 |
0.861 |
216 |
1952 |
|
|
7 |
A' |
1700 |
1467 |
0.863 |
216 |
1953 |
|
|
8 |
A' |
1677 |
1449 |
0.864 |
216 |
1954 |
|
|
9 |
A' |
1485 |
1302 |
0.877 |
216 |
1955 |
|
|
10 |
A' |
1344 |
1284 |
0.956 |
216 |
1956 |
|
|
11 |
A' |
1208 |
1213 |
1.004 |
216 |
1957 |
|
|
12 |
A' |
1165 |
1048 |
0.900 |
216 |
1958 |
|
|
13 |
A' |
1078 |
964 |
0.894 |
216 |
1959 |
|
|
14 |
A' |
1000 |
962 |
0.962 |
216 |
1960 |
|
|
15 |
A' |
855 |
904 |
1.057 |
216 |
1961 |
|
|
16 |
A' |
756 |
692 |
0.916 |
216 |
1962 |
|
|
17 |
A' |
709 |
603 |
0.851 |
216 |
1963 |
|
|
18 |
A' |
55 |
254 |
4.603 |
216 |
1964 |
|
|
19 |
A" |
3499 |
3039 |
0.869 |
216 |
1965 |
|
|
20 |
A" |
3470 |
2967 |
0.855 |
216 |
1966 |
|
|
21 |
A" |
3369 |
2927 |
0.869 |
216 |
1967 |
|
|
22 |
A" |
1683 |
1467 |
0.871 |
216 |
1968 |
|
|
23 |
A" |
1519 |
1432 |
0.943 |
216 |
1969 |
|
|
24 |
A" |
1436 |
1356 |
0.945 |
216 |
1970 |
|
|
25 |
A" |
1428 |
1302 |
0.912 |
216 |
1971 |
|
|
26 |
A" |
1378 |
1297 |
0.942 |
216 |
1972 |
|
|
27 |
A" |
1262 |
1207 |
0.956 |
216 |
1973 |
|
|
28 |
A" |
1175 |
1113 |
0.947 |
216 |
1974 |
|
|
29 |
A" |
1047 |
1082 |
1.034 |
216 |
1975 |
|
|
30 |
A" |
1010 |
937 |
0.927 |
216 |
1976 |
|
|
31 |
A" |
983 |
800 |
0.814 |
216 |
1977 |
|
|
32 |
A" |
836 |
702 |
0.840 |
216 |
1978 |
|
|
33 |
A" |
392 |
387 |
0.986 |
216 |
1979 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3593 |
3080 |
0.857 |
217 |
1980 |
|
|
2 |
A |
3490 |
3012 |
0.863 |
217 |
1981 |
|
|
3 |
A |
3438 |
3012 |
0.876 |
217 |
1982 |
|
|
4 |
A |
3370 |
2900 |
0.860 |
217 |
1983 |
|
|
5 |
A |
1894 |
1644 |
0.868 |
217 |
1984 |
|
|
6 |
A |
1657 |
1433 |
0.865 |
217 |
1985 |
|
|
7 |
A |
1586 |
1413 |
0.891 |
217 |
1986 |
|
|
8 |
A |
1423 |
1295 |
0.910 |
217 |
1987 |
|
|
9 |
A |
1365 |
1263 |
0.925 |
217 |
1988 |
|
|
10 |
A |
1166 |
1120 |
0.961 |
217 |
1989 |
|
|
11 |
A |
1126 |
995 |
0.884 |
217 |
1990 |
|
|
12 |
A |
1016 |
918 |
0.904 |
217 |
1991 |
|
|
13 |
A |
982 |
876 |
0.892 |
217 |
1992 |
|
|
14 |
A |
720 |
562 |
0.781 |
217 |
1993 |
|
|
15 |
A |
382 |
421 |
1.101 |
217 |
1994 |
|
|
16 |
A |
301 |
137 |
0.456 |
217 |
1995 |
|
|
17 |
A |
76 |
102 |
1.344 |
217 |
1996 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3539 |
2987 |
0.844 |
218 |
1997 |
|
|
2 |
A1 |
3404 |
2941 |
0.864 |
218 |
1998 |
|
|
3 |
A1 |
3345 |
2916 |
0.872 |
218 |
1999 |
|
|
4 |
A1 |
2258 |
1996 |
0.884 |
218 |
2000 |
|
|
5 |
A1 |
1698 |
1470 |
0.866 |
218 |
2001 |
|
|
6 |
A1 |
1632 |
1438 |
0.881 |
218 |
2002 |
|
|
7 |
A1 |
1580 |
1369 |
0.867 |
218 |
2003 |
|
|
8 |
A1 |
1445 |
1286 |
0.890 |
218 |
2004 |
|
|
9 |
A1 |
1108 |
973 |
0.879 |
218 |
2005 |
|
|
10 |
A1 |
791 |
726 |
0.918 |
218 |
2006 |
|
|
11 |
A1 |
346 |
349 |
1.010 |
218 |
2007 |
|
|
12 |
A2 |
3500 |
2941 |
0.840 |
218 |
2008 |
|
|
13 |
A2 |
1676 |
1470 |
0.877 |
218 |
2009 |
|
|
14 |
A2 |
1099 |
985 |
0.896 |
218 |
2010 |
|
|
15 |
A2 |
667 |
617 |
0.925 |
218 |
2011 |
|
|
17 |
B1 |
3537 |
3051 |
0.863 |
218 |
2012 |
|
|
18 |
B1 |
3500 |
2941 |
0.840 |
218 |
2013 |
|
|
19 |
B1 |
1682 |
1470 |
0.874 |
218 |
2014 |
|
|
20 |
B1 |
1197 |
1068 |
0.892 |
218 |
2015 |
|
|
21 |
B1 |
1112 |
1004 |
0.903 |
218 |
2016 |
|
|
22 |
B1 |
466 |
443 |
0.952 |
218 |
2017 |
|
|
23 |
B1 |
267 |
187 |
0.701 |
218 |
2018 |
|
|
25 |
B2 |
3537 |
2941 |
0.831 |
218 |
2019 |
|
|
26 |
B2 |
3344 |
2916 |
0.872 |
218 |
2020 |
|
|
27 |
B2 |
1685 |
1470 |
0.872 |
218 |
2021 |
|
|
28 |
B2 |
1566 |
1369 |
0.874 |
218 |
2022 |
|
|
29 |
B2 |
1331 |
1191 |
0.895 |
218 |
2023 |
|
|
30 |
B2 |
1063 |
968 |
0.910 |
218 |
2024 |
|
|
31 |
B2 |
954 |
848 |
0.888 |
218 |
2025 |
|
|
32 |
B2 |
628 |
554 |
0.882 |
218 |
2026 |
|
|
33 |
B2 |
186 |
187 |
1.007 |
218 |
2027 |
C5H8 |
Spiropentane |
1 |
A1 |
3438 |
3000 |
0.873 |
219 |
2028 |
|
|
2 |
A1 |
1640 |
1423 |
0.868 |
219 |
2029 |
|
|
3 |
A1 |
1271 |
1160 |
0.912 |
219 |
2030 |
|
|
4 |
A1 |
1164 |
1037 |
0.891 |
219 |
2031 |
|
|
5 |
A1 |
688 |
588 |
0.854 |
219 |
2032 |
|
|
6 |
A2 |
3582 |
3070 |
0.857 |
219 |
2033 |
|
|
7 |
A2 |
1281 |
1174 |
0.916 |
219 |
2034 |
|
|
8 |
A2 |
909 |
919 |
1.011 |
219 |
2035 |
|
|
9 |
B1 |
3582 |
3066 |
0.856 |
219 |
2036 |
|
|
10 |
B1 |
1285 |
1166 |
0.907 |
219 |
2037 |
|
|
11 |
B1 |
1098 |
888 |
0.809 |
219 |
2038 |
|
|
12 |
B1 |
309 |
300 |
0.970 |
219 |
2039 |
|
|
13 |
B2 |
3440 |
3000 |
0.872 |
219 |
2040 |
|
|
14 |
B2 |
1757 |
1521 |
0.865 |
219 |
2041 |
|
|
15 |
B2 |
1573 |
1415 |
0.900 |
219 |
2042 |
|
|
16 |
B2 |
1202 |
990 |
0.824 |
219 |
2043 |
|
|
17 |
B2 |
1055 |
872 |
0.826 |
219 |
2044 |
|
|
18 |
E |
3588 |
3067 |
0.855 |
219 |
2045 |
|
|
19 |
E |
3431 |
2985 |
0.870 |
219 |
2046 |
|
|
20 |
E |
1607 |
1431 |
0.890 |
219 |
2047 |
|
|
21 |
E |
1315 |
1150 |
0.875 |
219 |
2048 |
|
|
22 |
E |
1219 |
1049 |
0.861 |
219 |
2049 |
|
|
23 |
E |
994 |
870 |
0.875 |
219 |
2050 |
|
|
24 |
E |
851 |
780 |
0.917 |
219 |
2051 |
|
|
25 |
E |
328 |
308 |
0.939 |
219 |
2052 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3465 |
2953 |
0.852 |
220 |
2053 |
|
|
2 |
A1 |
3300 |
2775 |
0.841 |
220 |
2054 |
|
|
3 |
A1 |
1682 |
1459 |
0.867 |
220 |
2055 |
|
|
4 |
A1 |
1619 |
1444 |
0.892 |
220 |
2056 |
|
|
5 |
A1 |
1271 |
1186 |
0.933 |
220 |
2057 |
|
|
6 |
A1 |
862 |
828 |
0.960 |
220 |
2058 |
|
|
7 |
A1 |
375 |
367 |
0.977 |
220 |
2059 |
|
|
8 |
A2 |
3518 |
2977 |
0.846 |
220 |
2060 |
|
|
9 |
A2 |
1688 |
1453 |
0.860 |
220 |
2061 |
|
|
10 |
A2 |
1122 |
1046 |
0.933 |
220 |
2062 |
|
|
11 |
A2 |
257 |
255 |
0.991 |
220 |
2063 |
|
|
12 |
E |
3520 |
2981 |
0.847 |
220 |
2064 |
|
|
13 |
E |
3465 |
2953 |
0.852 |
220 |
2065 |
|
|
14 |
E |
3299 |
2776 |
0.841 |
220 |
2066 |
|
|
15 |
E |
1694 |
1471 |
0.868 |
220 |
2067 |
|
|
16 |
E |
1673 |
1444 |
0.863 |
220 |
2068 |
|
|
17 |
E |
1581 |
1409 |
0.891 |
220 |
2069 |
|
|
18 |
E |
1391 |
1275 |
0.916 |
220 |
2070 |
|
|
19 |
E |
1170 |
1103 |
0.943 |
220 |
2071 |
|
|
20 |
E |
1122 |
1043 |
0.930 |
220 |
2072 |
|
|
21 |
E |
421 |
424 |
1.006 |
220 |
2073 |
|
|
22 |
E |
272 |
281 |
1.032 |
220 |
2074 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3533 |
2974 |
0.842 |
221 |
2075 |
|
|
2 |
A' |
3530 |
2953 |
0.836 |
221 |
2076 |
|
|
3 |
A' |
3431 |
2940 |
0.857 |
221 |
2077 |
|
|
4 |
A' |
3356 |
2876 |
0.857 |
221 |
2078 |
|
|
5 |
A' |
3215 |
2757 |
0.857 |
221 |
2079 |
|
|
6 |
A' |
1894 |
1752 |
0.925 |
221 |
2080 |
|
|
7 |
A' |
1703 |
1474 |
0.865 |
221 |
2081 |
|
|
8 |
A' |
1701 |
1449 |
0.852 |
221 |
2082 |
|
|
9 |
A' |
1593 |
1399 |
0.878 |
221 |
2083 |
|
|
10 |
A' |
1508 |
1381 |
0.916 |
221 |
2084 |
|
|
11 |
A' |
1434 |
1329 |
0.927 |
221 |
2085 |
|
|
12 |
A' |
1299 |
1182 |
0.910 |
221 |
2086 |
|
|
13 |
A' |
1250 |
1138 |
0.910 |
221 |
2087 |
|
|
14 |
A' |
1015 |
922 |
0.908 |
221 |
2088 |
|
|
15 |
A' |
908 |
800 |
0.881 |
221 |
2089 |
|
|
16 |
A' |
550 |
632 |
1.150 |
221 |
2090 |
|
|
17 |
A' |
354 |
395 |
1.116 |
221 |
2091 |
|
|
18 |
A' |
343 |
272 |
0.792 |
221 |
2092 |
|
|
19 |
A' |
224 |
212 |
0.948 |
221 |
2093 |
|
|
20 |
A" |
3532 |
2990 |
0.847 |
221 |
2094 |
|
|
21 |
A" |
3529 |
2982 |
0.845 |
221 |
2095 |
|
|
22 |
A" |
3356 |
2885 |
0.860 |
221 |
2096 |
|
|
23 |
A" |
1696 |
1467 |
0.865 |
221 |
2097 |
|
|
24 |
A" |
1693 |
1452 |
0.858 |
221 |
2098 |
|
|
25 |
A" |
1577 |
1437 |
0.911 |
221 |
2099 |
|
|
26 |
A" |
1481 |
1290 |
0.871 |
221 |
2100 |
|
|
27 |
A" |
1240 |
1109 |
0.894 |
221 |
2101 |
|
|
28 |
A" |
1074 |
965 |
0.899 |
221 |
2102 |
|
|
29 |
A" |
1031 |
942 |
0.914 |
221 |
2103 |
|
|
30 |
A" |
952 |
933 |
0.980 |
221 |
2104 |
|
|
31 |
A" |
327 |
351 |
1.073 |
221 |
2105 |
|
|
32 |
A" |
212 |
227 |
1.071 |
221 |
2106 |
|
|
33 |
A" |
77 |
75 |
0.970 |
221 |
2107 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
443 |
1442 |
3.254 |
222 |
2108 |
|
|
|
Ag |
935 |
1151 |
1.231 |
222 |
2109 |
|
|
|
Au |
1416 |
1257 |
0.888 |
222 |
2110 |
|
|
|
Bg |
1703 |
1180 |
0.693 |
222 |
2111 |
|
|
|
Bu |
3357 |
2870 |
0.855 |
222 |
2112 |
|
|
|
Bu |
3391 |
1461 |
0.431 |
222 |
2113 |
|
|
|
Bu |
3531 |
1009 |
0.286 |
222 |
2114 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3536 |
3345 |
0.946 |
223 |
2115 |
|
|
2 |
A' |
3532 |
2975 |
0.842 |
223 |
2116 |
|
|
3 |
A' |
3524 |
2950 |
0.837 |
223 |
2117 |
|
|
4 |
A' |
3407 |
2918 |
0.856 |
223 |
2118 |
|
|
5 |
A' |
3400 |
2905 |
0.854 |
223 |
2119 |
|
|
6 |
A' |
3345 |
2887 |
0.863 |
223 |
2120 |
|
|
7 |
A' |
1862 |
1614 |
0.867 |
223 |
2121 |
|
|
8 |
A' |
1681 |
1467 |
0.872 |
223 |
2122 |
|
|
9 |
A' |
1658 |
1443 |
0.870 |
223 |
2123 |
|
|
10 |
A' |
1532 |
1390 |
0.907 |
223 |
2124 |
|
|
11 |
A' |
1424 |
1291 |
0.907 |
223 |
2125 |
|
|
12 |
A' |
1352 |
1237 |
0.915 |
223 |
2126 |
|
|
13 |
A' |
1253 |
1137 |
0.908 |
223 |
2127 |
|
|
14 |
A' |
1234 |
1120 |
0.908 |
223 |
2128 |
|
|
15 |
A' |
1088 |
1050 |
0.965 |
223 |
2129 |
|
|
16 |
A' |
1015 |
965 |
0.951 |
223 |
2130 |
|
|
17 |
A' |
967 |
788 |
0.815 |
223 |
2131 |
|
|
18 |
A' |
838 |
752 |
0.897 |
223 |
2132 |
|
|
19 |
A' |
693 |
606 |
0.874 |
223 |
2133 |
|
|
20 |
A' |
430 |
448 |
1.041 |
223 |
2134 |
|
|
21 |
A' |
112 |
174 |
1.549 |
223 |
2135 |
|
|
22 |
A" |
3718 |
3411 |
0.917 |
223 |
2136 |
|
|
23 |
A" |
3529 |
2970 |
0.842 |
223 |
2137 |
|
|
24 |
A" |
3401 |
2957 |
0.869 |
223 |
2138 |
|
|
25 |
A" |
1651 |
1452 |
0.879 |
223 |
2139 |
|
|
26 |
A" |
1505 |
1213 |
0.806 |
223 |
2140 |
|
|
27 |
A" |
1412 |
1185 |
0.839 |
223 |
2141 |
|
|
28 |
A" |
1381 |
1168 |
0.846 |
223 |
2142 |
|
|
29 |
A" |
1353 |
1036 |
0.766 |
223 |
2143 |
|
|
30 |
A" |
1334 |
|
|
223 |
2144 |
|
|
31 |
A" |
1118 |
925 |
0.827 |
223 |
2145 |
|
|
32 |
A" |
1081 |
912 |
0.843 |
223 |
2146 |
|
|
33 |
A" |
1047 |
883 |
0.843 |
223 |
2147 |
|
|
34 |
A" |
851 |
788 |
0.926 |
223 |
2148 |
|
|
35 |
A" |
371 |
354 |
0.954 |
223 |
2149 |
|
|
36 |
A" |
226 |
240 |
1.064 |
223 |
2150 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3449 |
2968 |
0.861 |
224 |
2151 |
|
|
2 |
Ag |
3309 |
2856 |
0.863 |
224 |
2152 |
|
|
3 |
Ag |
1652 |
1444 |
0.874 |
224 |
2153 |
|
|
4 |
Ag |
1527 |
1397 |
0.915 |
224 |
2154 |
|
|
5 |
Ag |
1408 |
1305 |
0.927 |
224 |
2155 |
|
|
6 |
Ag |
1198 |
1128 |
0.942 |
224 |
2156 |
|
|
7 |
Ag |
1097 |
1015 |
0.925 |
224 |
2157 |
|
|
8 |
Ag |
907 |
837 |
0.923 |
224 |
2158 |
|
|
9 |
Ag |
486 |
435 |
0.895 |
224 |
2159 |
|
|
10 |
Ag |
399 |
424 |
1.062 |
224 |
2160 |
|
|
11 |
Au |
3448 |
2970 |
0.861 |
224 |
2161 |
|
|
12 |
Au |
3310 |
2863 |
0.865 |
224 |
2162 |
|
|
13 |
Au |
1646 |
1449 |
0.881 |
224 |
2163 |
|
|
14 |
Au |
1493 |
1369 |
0.917 |
224 |
2164 |
|
|
15 |
Au |
1343 |
1256 |
0.935 |
224 |
2165 |
|
|
16 |
Au |
1237 |
1136 |
0.919 |
224 |
2166 |
|
|
17 |
Au |
1152 |
1086 |
0.943 |
224 |
2167 |
|
|
18 |
Au |
960 |
881 |
0.918 |
224 |
2168 |
|
|
19 |
Au |
228 |
288 |
1.262 |
224 |
2169 |
|
|
20 |
Bg |
3451 |
2968 |
0.860 |
224 |
2170 |
|
|
21 |
Bg |
3315 |
2856 |
0.861 |
224 |
2171 |
|
|
22 |
Bg |
1641 |
1459 |
0.889 |
224 |
2172 |
|
|
23 |
Bg |
1445 |
1335 |
0.924 |
224 |
2173 |
|
|
24 |
Bg |
1299 |
1217 |
0.937 |
224 |
2174 |
|
|
25 |
Bg |
1237 |
1110 |
0.897 |
224 |
2175 |
|
|
26 |
Bg |
923 |
853 |
0.924 |
224 |
2176 |
|
|
27 |
Bg |
483 |
490 |
1.014 |
224 |
2177 |
|
|
28 |
Bu |
3453 |
2970 |
0.860 |
224 |
2178 |
|
|
29 |
Bu |
3315 |
2863 |
0.864 |
224 |
2179 |
|
|
30 |
Bu |
1645 |
1457 |
0.886 |
224 |
2180 |
|
|
31 |
Bu |
1525 |
1378 |
0.903 |
224 |
2181 |
|
|
32 |
Bu |
1381 |
1291 |
0.935 |
224 |
2182 |
|
|
33 |
Bu |
1122 |
1052 |
0.938 |
224 |
2183 |
|
|
34 |
Bu |
972 |
889 |
0.915 |
224 |
2184 |
|
|
35 |
Bu |
619 |
610 |
0.986 |
224 |
2185 |
|
|
36 |
Bu |
284 |
274 |
0.964 |
224 |
2186 |
C8H8 |
cubane |
1 |
A1g |
3486 |
2995 |
0.859 |
225 |
2187 |
|
|
2 |
A1g |
1134 |
1002 |
0.883 |
225 |
2188 |
|
|
3 |
A2u |
3447 |
2978 |
0.864 |
225 |
2189 |
|
|
4 |
A2u |
1151 |
839 |
0.729 |
225 |
2190 |
|
|
5 |
Eg |
1279 |
1083 |
0.847 |
225 |
2191 |
|
|
6 |
Eg |
1017 |
912 |
0.896 |
225 |
2192 |
|
|
7 |
Eu |
1277 |
1151 |
0.901 |
225 |
2193 |
|
|
8 |
Eu |
690 |
617 |
0.895 |
225 |
2194 |
|
|
9 |
T1g |
1253 |
1130 |
0.902 |
225 |
2195 |
|
|
10 |
T1u |
3468 |
2978 |
0.859 |
225 |
2196 |
|
|
11 |
T1u |
1410 |
1230 |
0.872 |
225 |
2197 |
|
|
12 |
T1u |
964 |
853 |
0.885 |
225 |
2198 |
|
|
13 |
T2g |
3458 |
2970 |
0.859 |
225 |
2199 |
|
|
14 |
T2g |
1403 |
1182 |
0.842 |
225 |
2200 |
|
|
15 |
T2g |
949 |
821 |
0.865 |
225 |
2201 |
|
|
16 |
T2g |
770 |
665 |
0.863 |
225 |
2202 |
|
|
17 |
T2u |
1258 |
1036 |
0.823 |
225 |
2203 |
|
|
18 |
T2u |
963 |
829 |
0.861 |
225 |
2204 |
C5H12 |
Pentane |
1 |
A1 |
3531 |
2973 |
0.842 |
226 |
2205 |
|
|
2 |
A1 |
3392 |
2892 |
0.853 |
226 |
2206 |
|
|
3 |
A1 |
3380 |
2866 |
0.848 |
226 |
2207 |
|
|
4 |
A1 |
3357 |
2866 |
0.854 |
226 |
2208 |
|
|
5 |
A1 |
1715 |
1480 |
0.863 |
226 |
2209 |
|
|
6 |
A1 |
1701 |
1463 |
0.860 |
226 |
2210 |
|
|
7 |
A1 |
1681 |
1450 |
0.862 |
226 |
2211 |
|
|
8 |
A1 |
1595 |
1379 |
0.864 |
226 |
2212 |
|
|
9 |
A1 |
1519 |
1346 |
0.886 |
226 |
2213 |
|
|
10 |
A1 |
1272 |
1144 |
0.899 |
226 |
2214 |
|
|
11 |
A1 |
1162 |
1036 |
0.892 |
226 |
2215 |
|
|
12 |
A1 |
969 |
867 |
0.895 |
226 |
2216 |
|
|
13 |
A1 |
416 |
401 |
0.965 |
226 |
2217 |
|
|
14 |
A1 |
186 |
179 |
0.964 |
226 |
2218 |
|
|
15 |
A2 |
3532 |
2967 |
0.840 |
226 |
2219 |
|
|
16 |
A2 |
3493 |
2908 |
0.832 |
226 |
2220 |
|
|
17 |
A2 |
1702 |
1462 |
0.859 |
226 |
2221 |
|
|
18 |
A2 |
1453 |
1346 |
0.926 |
226 |
2222 |
|
|
19 |
A2 |
1395 |
1269 |
0.910 |
226 |
2223 |
|
|
20 |
A2 |
1095 |
993 |
0.907 |
226 |
2224 |
|
|
21 |
A2 |
835 |
766 |
0.917 |
226 |
2225 |
|
|
22 |
A2 |
238 |
210 |
0.883 |
226 |
2226 |
|
|
23 |
A2 |
113 |
131 |
1.164 |
226 |
2227 |
|
|
24 |
B1 |
3533 |
2965 |
0.839 |
226 |
2228 |
|
|
25 |
B1 |
3505 |
2930 |
0.836 |
226 |
2229 |
|
|
26 |
B1 |
3484 |
2930 |
0.841 |
226 |
2230 |
|
|
27 |
B1 |
1702 |
1469 |
0.863 |
226 |
2231 |
|
|
28 |
B1 |
1447 |
1303 |
0.901 |
226 |
2232 |
|
|
29 |
B1 |
1332 |
1170 |
0.878 |
226 |
2233 |
|
|
30 |
B1 |
953 |
858 |
0.901 |
226 |
2234 |
|
|
31 |
B1 |
788 |
727 |
0.923 |
226 |
2235 |
|
|
32 |
B1 |
234 |
215 |
0.918 |
226 |
2236 |
|
|
33 |
B1 |
111 |
88 |
0.793 |
226 |
2237 |
|
|
34 |
B2 |
3531 |
2965 |
0.840 |
226 |
2238 |
|
|
35 |
B2 |
3387 |
2879 |
0.850 |
226 |
2239 |
|
|
36 |
B2 |
3357 |
2866 |
0.854 |
226 |
2240 |
|
|
37 |
B2 |
1712 |
1476 |
0.862 |
226 |
2241 |
|
|
38 |
B2 |
1687 |
1456 |
0.863 |
226 |
2242 |
|
|
39 |
B2 |
1594 |
1389 |
0.872 |
226 |
2243 |
|
|
40 |
B2 |
1575 |
1379 |
0.876 |
226 |
2244 |
|
|
41 |
B2 |
1418 |
1269 |
0.895 |
226 |
2245 |
|
|
42 |
B2 |
1186 |
1073 |
0.905 |
226 |
2246 |
|
|
43 |
B2 |
1156 |
1024 |
0.886 |
226 |
2247 |
|
|
44 |
B2 |
1027 |
910 |
0.886 |
226 |
2248 |
|
|
45 |
B2 |
413 |
406 |
0.983 |
226 |
2249 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3354 |
2909 |
0.867 |
227 |
2250 |
|
|
2 |
A1 |
1611 |
1381 |
0.857 |
227 |
2251 |
|
|
3 |
A1 |
792 |
733 |
0.926 |
227 |
2252 |
|
|
4 |
A2 |
242 |
198 |
0.817 |
227 |
2253 |
|
|
5 |
E |
3533 |
2955 |
0.836 |
227 |
2254 |
|
|
6 |
E |
1702 |
1451 |
0.853 |
227 |
2255 |
|
|
7 |
E |
1193 |
999 |
0.837 |
227 |
2256 |
|
|
8 |
E |
341 |
335 |
0.983 |
227 |
2257 |
|
|
9 |
T1 |
3531 |
2975 |
0.843 |
227 |
2258 |
|
|
10 |
T1 |
1698 |
1461 |
0.860 |
227 |
2259 |
|
|
11 |
T1 |
1068 |
932 |
0.872 |
227 |
2260 |
|
|
12 |
T1 |
293 |
203 |
0.692 |
227 |
2261 |
|
|
13 |
T2 |
3532 |
2959 |
0.838 |
227 |
2262 |
|
|
14 |
T2 |
3355 |
2876 |
0.857 |
227 |
2263 |
|
|
15 |
T2 |
1717 |
1475 |
0.859 |
227 |
2264 |
|
|
16 |
T2 |
1581 |
1372 |
0.868 |
227 |
2265 |
|
|
17 |
T2 |
1432 |
1256 |
0.877 |
227 |
2266 |
|
|
18 |
T2 |
1037 |
925 |
0.892 |
227 |
2267 |
|
|
19 |
T2 |
431 |
418 |
0.971 |
227 |
2268 |
C5H11N |
Piperidine |
1 |
A' |
3621 |
3341 |
0.923 |
228 |
2269 |
|
|
2 |
A' |
3510 |
2947 |
0.840 |
228 |
2270 |
|
|
3 |
A' |
3495 |
2931 |
0.839 |
228 |
2271 |
|
|
4 |
A' |
3458 |
2917 |
0.843 |
228 |
2272 |
|
|
5 |
A' |
3393 |
2892 |
0.852 |
228 |
2273 |
|
|
6 |
A' |
3386 |
2850 |
0.842 |
228 |
2274 |
|
|
7 |
A' |
3311 |
2730 |
0.824 |
228 |
2275 |
|
|
8 |
A' |
1694 |
1476 |
0.872 |
228 |
2276 |
|
|
9 |
A' |
1681 |
1452 |
0.864 |
228 |
2277 |
|
|
10 |
A' |
1671 |
1444 |
0.864 |
228 |
2278 |
|
|
11 |
A' |
1570 |
1386 |
0.883 |
228 |
2279 |
|
|
12 |
A' |
1531 |
1365 |
0.892 |
228 |
2280 |
|
|
13 |
A' |
1410 |
1346 |
0.955 |
228 |
2281 |
|
|
14 |
A' |
1384 |
1266 |
0.914 |
228 |
2282 |
|
|
15 |
A' |
1265 |
1164 |
0.920 |
228 |
2283 |
|
|
16 |
A' |
1172 |
1035 |
0.883 |
228 |
2284 |
|
|
17 |
A' |
1135 |
1006 |
0.887 |
228 |
2285 |
|
|
18 |
A' |
1022 |
906 |
0.887 |
228 |
2286 |
|
|
19 |
A' |
951 |
853 |
0.897 |
228 |
2287 |
|
|
20 |
A' |
909 |
822 |
0.904 |
228 |
2288 |
|
|
21 |
A' |
846 |
743 |
0.878 |
228 |
2289 |
|
|
22 |
A' |
559 |
546 |
0.976 |
228 |
2290 |
|
|
23 |
A' |
455 |
432 |
0.949 |
228 |
2291 |
|
|
24 |
A' |
390 |
404 |
1.035 |
228 |
2292 |
|
|
25 |
A' |
250 |
246 |
0.984 |
228 |
2293 |
|
|
26 |
A" |
3506 |
2940 |
0.839 |
228 |
2294 |
|
|
27 |
A" |
3456 |
2902 |
0.840 |
228 |
2295 |
|
|
28 |
A" |
3393 |
2850 |
0.840 |
228 |
2296 |
|
|
29 |
A" |
3313 |
2803 |
0.846 |
228 |
2297 |
|
|
30 |
A" |
1684 |
1468 |
0.872 |
228 |
2298 |
|
|
31 |
A" |
1667 |
1460 |
0.876 |
228 |
2299 |
|
|
32 |
A" |
1608 |
1436 |
0.893 |
228 |
2300 |
|
|
33 |
A" |
1541 |
1332 |
0.864 |
228 |
2301 |
|
|
34 |
A" |
1498 |
1318 |
0.880 |
228 |
2302 |
|
|
35 |
A" |
1469 |
1285 |
0.875 |
228 |
2303 |
|
|
36 |
A" |
1403 |
1258 |
0.897 |
228 |
2304 |
|
|
37 |
A" |
1272 |
1191 |
0.936 |
228 |
2305 |
|
|
38 |
A" |
1248 |
1146 |
0.918 |
228 |
2306 |
|
|
39 |
A" |
1241 |
1115 |
0.898 |
228 |
2307 |
|
|
40 |
A" |
1167 |
1052 |
0.902 |
228 |
2308 |
|
|
41 |
A" |
1063 |
964 |
0.907 |
228 |
2309 |
|
|
42 |
A" |
971 |
874 |
0.900 |
228 |
2310 |
|
|
43 |
A" |
891 |
810 |
0.909 |
228 |
2311 |
|
|
44 |
A" |
457 |
445 |
0.975 |
228 |
2312 |
|
|
45 |
A" |
237 |
254 |
1.070 |
228 |
2313 |
C6H12 |
Cyclohexane |
1 |
A1g |
3490 |
2930 |
0.840 |
229 |
2314 |
|
|
2 |
A1g |
3387 |
2852 |
0.842 |
229 |
2315 |
|
|
3 |
A1g |
1703 |
1465 |
0.860 |
229 |
2316 |
|
|
4 |
A1g |
1302 |
1157 |
0.889 |
229 |
2317 |
|
|
5 |
A1g |
886 |
802 |
0.905 |
229 |
2318 |
|
|
6 |
A1g |
367 |
383 |
1.043 |
229 |
2319 |
|
|
7 |
A1u |
1545 |
1383 |
0.895 |
229 |
2320 |
|
|
8 |
A1u |
1259 |
1157 |
0.919 |
229 |
2321 |
|
|
9 |
A1u |
1218 |
1057 |
0.868 |
229 |
2322 |
|
|
10 |
A2g |
1481 |
1437 |
0.971 |
229 |
2323 |
|
|
11 |
A2g |
1183 |
1090 |
0.922 |
229 |
2324 |
|
|
12 |
A2u |
3506 |
2915 |
0.831 |
229 |
2325 |
|
|
13 |
A2u |
3384 |
2860 |
0.845 |
229 |
2326 |
|
|
14 |
A2u |
1682 |
1437 |
0.854 |
229 |
2327 |
|
|
15 |
A2u |
1116 |
1030 |
0.923 |
229 |
2328 |
|
|
16 |
A2u |
550 |
523 |
0.950 |
229 |
2329 |
|
|
17 |
Eg |
3499 |
2930 |
0.837 |
229 |
2330 |
|
|
18 |
Eg |
3384 |
2897 |
0.856 |
229 |
2331 |
|
|
19 |
Eg |
1679 |
1443 |
0.860 |
229 |
2332 |
|
|
20 |
Eg |
1548 |
1347 |
0.870 |
229 |
2333 |
|
|
21 |
Eg |
1410 |
1266 |
0.898 |
229 |
2334 |
|
|
22 |
Eg |
1148 |
1027 |
0.894 |
229 |
2335 |
|
|
23 |
Eg |
871 |
785 |
0.901 |
229 |
2336 |
|
|
24 |
Eg |
451 |
426 |
0.945 |
229 |
2337 |
|
|
25 |
Eu |
3491 |
2933 |
0.840 |
229 |
2338 |
|
|
26 |
Eu |
3385 |
2863 |
0.846 |
229 |
2339 |
|
|
27 |
Eu |
1689 |
1457 |
0.863 |
229 |
2340 |
|
|
28 |
Eu |
1536 |
1355 |
0.882 |
229 |
2341 |
|
|
29 |
Eu |
1405 |
1261 |
0.898 |
229 |
2342 |
|
|
30 |
Eu |
1007 |
907 |
0.901 |
229 |
2343 |
|
|
31 |
Eu |
965 |
863 |
0.894 |
229 |
2344 |
|
|
32 |
Eu |
229 |
248 |
1.084 |
229 |
2345 |
C6H14 |
Hexane |
1 |
Ag |
3531 |
2966 |
0.840 |
230 |
2346 |
|
|
2 |
Ag |
3388 |
2877 |
0.849 |
230 |
2347 |
|
|
3 |
Ag |
3377 |
2863 |
0.848 |
230 |
2348 |
|
|
4 |
Ag |
3356 |
2852 |
0.850 |
230 |
2349 |
|
|
5 |
Ag |
1714 |
1460 |
0.852 |
230 |
2350 |
|
|
6 |
Ag |
1693 |
1460 |
0.862 |
230 |
2351 |
|
|
7 |
Ag |
1681 |
1440 |
0.857 |
230 |
2352 |
|
|
8 |
Ag |
1594 |
1397 |
0.876 |
230 |
2353 |
|
|
9 |
Ag |
1581 |
1366 |
0.864 |
230 |
2354 |
|
|
10 |
Ag |
1478 |
1305 |
0.883 |
230 |
2355 |
|
|
11 |
Ag |
1268 |
1140 |
0.899 |
230 |
2356 |
|
|
12 |
Ag |
1181 |
1065 |
0.902 |
230 |
2357 |
|
|
13 |
Ag |
1130 |
1007 |
0.891 |
230 |
2358 |
|
|
14 |
Ag |
1002 |
901 |
0.899 |
230 |
2359 |
|
|
15 |
Ag |
383 |
371 |
0.969 |
230 |
2360 |
|
|
16 |
Ag |
309 |
305 |
0.987 |
230 |
2361 |
|
|
17 |
Au |
3532 |
2967 |
0.840 |
230 |
2362 |
|
|
18 |
Au |
3505 |
2936 |
0.838 |
230 |
2363 |
|
|
19 |
Au |
3488 |
2920 |
0.837 |
230 |
2364 |
|
|
20 |
Au |
1703 |
1460 |
0.857 |
230 |
2365 |
|
|
21 |
Au |
1454 |
1303 |
0.896 |
230 |
2366 |
|
|
22 |
Au |
1381 |
1222 |
0.885 |
230 |
2367 |
|
|
23 |
Au |
1117 |
1010 |
0.904 |
230 |
2368 |
|
|
24 |
Au |
884 |
824 |
0.933 |
230 |
2369 |
|
|
25 |
Au |
785 |
726 |
0.925 |
230 |
2370 |
|
|
26 |
Au |
247 |
216 |
0.875 |
230 |
2371 |
|
|
27 |
Au |
102 |
94 |
0.919 |
230 |
2372 |
|
|
28 |
Au |
72 |
61 |
0.845 |
230 |
2373 |
|
|
29 |
Bg |
3532 |
2966 |
0.840 |
230 |
2374 |
|
|
30 |
Bg |
3497 |
2908 |
0.832 |
230 |
2375 |
|
|
31 |
Bg |
3481 |
2908 |
0.835 |
230 |
2376 |
|
|
32 |
Bg |
1703 |
1460 |
0.857 |
230 |
2377 |
|
|
33 |
Bg |
1453 |
1305 |
0.898 |
230 |
2378 |
|
|
34 |
Bg |
1431 |
1283 |
0.896 |
230 |
2379 |
|
|
35 |
Bg |
1331 |
1168 |
0.878 |
230 |
2380 |
|
|
36 |
Bg |
997 |
894 |
0.896 |
230 |
2381 |
|
|
37 |
Bg |
810 |
740 |
0.914 |
230 |
2382 |
|
|
38 |
Bg |
237 |
208 |
0.879 |
230 |
2383 |
|
|
39 |
Bg |
144 |
125 |
0.867 |
230 |
2384 |
|
|
40 |
Bu |
3531 |
2967 |
0.840 |
230 |
2385 |
|
|
41 |
Bu |
3391 |
2884 |
0.851 |
230 |
2386 |
|
|
42 |
Bu |
3382 |
2867 |
0.848 |
230 |
2387 |
|
|
43 |
Bu |
3356 |
2851 |
0.849 |
230 |
2388 |
|
|
44 |
Bu |
1716 |
1476 |
0.860 |
230 |
2389 |
|
|
45 |
Bu |
1706 |
1465 |
0.859 |
230 |
2390 |
|
|
46 |
Bu |
1684 |
1452 |
0.862 |
230 |
2391 |
|
|
47 |
Bu |
1594 |
1387 |
0.870 |
230 |
2392 |
|
|
48 |
Bu |
1546 |
1375 |
0.889 |
230 |
2393 |
|
|
49 |
Bu |
1395 |
1249 |
0.895 |
230 |
2394 |
|
|
50 |
Bu |
1190 |
1061 |
0.892 |
230 |
2395 |
|
|
51 |
Bu |
1169 |
1035 |
0.885 |
230 |
2396 |
|
|
52 |
Bu |
989 |
888 |
0.897 |
230 |
2397 |
|
|
53 |
Bu |
484 |
470 |
0.971 |
230 |
2398 |
|
|
54 |
Bu |
139 |
139 |
1.001 |
230 |
2399 |