H2 |
Hydrogen diatomic |
1 |
Σg |
4367 |
4161 |
0.953 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1333 |
1360 |
1.020 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
342 |
346 |
1.011 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1113 |
1133 |
1.018 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
155 |
158 |
1.020 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
2060 |
1987 |
0.965 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1419 |
1432 |
1.009 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2349 |
2269 |
0.966 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1677 |
1625 |
0.969 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2816 |
2733 |
0.971 |
10 |
10 |
|
|
1 |
Σ |
3183 |
|
|
10 |
11 |
C2 |
Carbon diatomic |
1 |
Σg |
1877 |
1827 |
0.974 |
11 |
12 |
SiH |
Silylidyne |
1 |
Σ |
2033 |
1971 |
0.969 |
12 |
13 |
Si2 |
Silicon diatomic |
1 |
Σg |
515 |
507 |
0.984 |
13 |
14 |
NH |
Imidogen |
1 |
Σ |
3223 |
3126 |
0.970 |
14 |
15 |
CN |
Cyano radical |
1 |
Σ |
2176 |
2042 |
0.938 |
15 |
16 |
N2 |
Nitrogen diatomic |
1 |
Σg |
1713 |
2330 |
1.360 |
16 |
17 |
|
|
1 |
Σg |
1770 |
1733 |
0.980 |
16 |
18 |
SiN |
Silicon nitride |
1 |
Σ |
1163 |
1138 |
0.979 |
17 |
19 |
PH |
phosphorus monohydride |
1 |
Σ |
2345 |
2276 |
0.971 |
18 |
20 |
|
|
1 |
Σ |
2372 |
2319 |
0.978 |
18 |
21 |
CP |
Carbon monophosphide |
1 |
Σ |
1267 |
1226 |
0.968 |
19 |
22 |
PN |
Phosphorus mononitride |
1 |
Σ |
1350 |
1323 |
0.980 |
20 |
23 |
P2 |
Phosphorus diatomic |
1 |
Σg |
788 |
775 |
0.983 |
21 |
24 |
OH |
Hydroxyl radical |
1 |
Σ |
3649 |
3570 |
0.978 |
22 |
25 |
LiO |
lithium oxide |
1 |
Σ |
908 |
799 |
0.880 |
23 |
26 |
BeO |
beryllium oxide |
1 |
Σ |
1418 |
1435 |
1.012 |
24 |
27 |
BO |
boron monoxide |
1 |
Σ |
1883 |
1862 |
0.989 |
25 |
28 |
CO |
Carbon monoxide |
1 |
Σ |
2171 |
2143 |
0.987 |
26 |
29 |
|
|
1 |
Σ |
1820 |
|
|
26 |
30 |
NaO |
sodium monoxide |
1 |
Σ |
567 |
|
|
27 |
31 |
MgO |
magnesium oxide |
1 |
Σ |
710 |
775 |
1.091 |
28 |
32 |
SiO |
Silicon monoxide |
1 |
Σ |
1209 |
1230 |
1.017 |
29 |
33 |
HS |
Mercapto radical |
1 |
Σ |
2685 |
2599 |
0.968 |
30 |
34 |
BeS |
beryllium sulfide |
1 |
Σ |
1001 |
986 |
0.985 |
31 |
35 |
BS |
boron sulfide |
1 |
Σ |
1195 |
1167 |
0.977 |
32 |
36 |
CS |
carbon monosulfide |
1 |
Σ |
1278 |
1272 |
0.995 |
33 |
37 |
SO |
Sulfur monoxide |
1 |
Σ |
1138 |
1138 |
1.000 |
34 |
38 |
|
|
1 |
Σ |
1083 |
1054 |
0.973 |
34 |
39 |
MgS |
magnesium sulfide |
1 |
Σ |
512 |
523 |
1.022 |
35 |
40 |
AlS |
Aluminum sulfide |
1 |
Σ |
603 |
610 |
1.013 |
36 |
41 |
SiS |
silicon monosulfide |
1 |
Σ |
745 |
744 |
0.999 |
37 |
42 |
S2 |
Sulfur diatomic |
1 |
Σg |
725 |
720 |
0.993 |
38 |
43 |
HF |
Hydrogen fluoride |
1 |
Σ |
4018 |
3961 |
0.986 |
39 |
44 |
LiF |
lithium fluoride |
1 |
Σ |
1000 |
896 |
0.896 |
40 |
45 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1280 |
|
|
41 |
46 |
CF |
Fluoromethylidyne |
1 |
Σ |
1300 |
1286 |
0.989 |
42 |
47 |
NF |
nitrogen fluoride |
1 |
Σ |
1141 |
1123 |
0.985 |
43 |
48 |
F2 |
Fluorine diatomic |
1 |
Σg |
969 |
894 |
0.923 |
44 |
49 |
NaF |
sodium fluoride |
1 |
Σ |
580 |
529 |
0.911 |
45 |
50 |
MgF |
Magnesium monofluoride |
1 |
Σ |
752 |
|
|
46 |
51 |
AlF |
Aluminum monofluoride |
1 |
Σ |
836 |
793 |
0.948 |
47 |
52 |
SiF |
silicon monofluoride |
1 |
Σ |
877 |
848 |
0.966 |
48 |
53 |
PF |
phosphorus monofluoride |
1 |
Σ |
857 |
838 |
0.978 |
49 |
54 |
SF |
Monosulfur monofluoride |
1 |
Σ |
838 |
829 |
0.989 |
50 |
55 |
HCl |
Hydrogen chloride |
1 |
Σ |
2985 |
2886 |
0.967 |
51 |
56 |
LiCl |
lithium chloride |
1 |
Σ |
636 |
634 |
0.997 |
52 |
57 |
BeCl |
beryllium monochloride |
1 |
Σ |
879 |
847 |
0.964 |
53 |
58 |
BCl |
boron monochloride |
1 |
Σ |
858 |
829 |
0.967 |
54 |
59 |
CCl |
carbon monochloride |
1 |
Σ |
866 |
866 |
1.000 |
55 |
60 |
ClO |
Monochlorine monoxide |
1 |
Σ |
807 |
843 |
1.044 |
56 |
61 |
ClF |
Chlorine monofluoride |
1 |
Σ |
786 |
773 |
0.984 |
57 |
62 |
NaCl |
Sodium Chloride |
1 |
Σ |
369 |
361 |
0.978 |
58 |
63 |
MgCl |
magnesium monochloride |
1 |
Σ |
469 |
|
|
59 |
64 |
AlCl |
Aluminum monochloride |
1 |
Σ |
496 |
478 |
0.962 |
60 |
65 |
SiCl |
Clorosilylidyne |
1 |
Σ |
539 |
531 |
0.985 |
61 |
66 |
PCl |
phosphorus chloride |
1 |
Σ |
543 |
547 |
1.008 |
62 |
67 |
SCl |
sulfur monochloride |
1 |
Σ |
556 |
577 |
1.038 |
63 |
68 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
523 |
554 |
1.060 |
64 |
69 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2266 |
2159 |
0.953 |
65 |
70 |
|
|
3 |
Πu |
717 |
698 |
0.974 |
65 |
71 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1584 |
1572 |
0.992 |
66 |
72 |
|
|
3 |
Πu |
444 |
440 |
0.991 |
66 |
73 |
BH2 |
boron dihydride |
2 |
A1 |
1052 |
954 |
0.906 |
67 |
74 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1834 |
1770 |
0.965 |
68 |
75 |
|
|
2 |
A1 |
764 |
760 |
0.994 |
68 |
76 |
|
|
3 |
B2 |
1876 |
1807 |
0.963 |
68 |
77 |
SiH2 |
silicon dihydride |
1 |
A1 |
2072 |
1996 |
0.963 |
69 |
78 |
|
|
2 |
A1 |
1028 |
999 |
0.972 |
69 |
79 |
|
|
3 |
B2 |
2077 |
1993 |
0.959 |
69 |
80 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3484 |
3312 |
0.951 |
70 |
81 |
|
|
2 |
Σ |
2167 |
2089 |
0.964 |
70 |
82 |
|
|
3 |
Π |
729 |
712 |
0.977 |
70 |
83 |
PH2 |
Phosphino radical |
1 |
A1 |
2390 |
2310 |
0.966 |
71 |
84 |
|
|
2 |
A1 |
1151 |
1102 |
0.957 |
71 |
85 |
HCP |
Phosphaethyne |
1 |
Σ |
3386 |
3217 |
0.950 |
72 |
86 |
|
|
2 |
Σ |
1313 |
1278 |
0.973 |
72 |
87 |
|
|
3 |
Π |
698 |
674 |
0.966 |
72 |
88 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2188 |
2095 |
0.958 |
73 |
89 |
|
|
2 |
A' |
1178 |
1188 |
1.009 |
73 |
90 |
|
|
3 |
A' |
1028 |
986 |
0.958 |
73 |
91 |
H2O |
Water |
1 |
A1 |
3752 |
3657 |
0.975 |
74 |
92 |
|
|
2 |
A1 |
1744 |
1595 |
0.914 |
74 |
93 |
|
|
3 |
B2 |
3879 |
3756 |
0.968 |
74 |
94 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1273 |
1246 |
0.978 |
75 |
95 |
HBO |
Boron hydride oxide |
1 |
Σ |
2930 |
2850 |
0.973 |
76 |
96 |
|
|
2 |
Σ |
1845 |
1826 |
0.989 |
76 |
97 |
|
|
3 |
Π |
756 |
756 |
1.000 |
76 |
98 |
HCO |
Formyl radical |
1 |
A' |
2710 |
2434 |
0.898 |
77 |
99 |
|
|
2 |
A' |
1890 |
1868 |
0.988 |
77 |
100 |
|
|
3 |
A' |
1160 |
1081 |
0.932 |
77 |
101 |
HNO |
Nitrosyl hydride |
1 |
A' |
2902 |
2684 |
0.925 |
78 |
102 |
|
|
2 |
A' |
1636 |
1565 |
0.957 |
78 |
103 |
|
|
3 |
A' |
1581 |
1501 |
0.950 |
78 |
104 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3584 |
3436 |
0.959 |
79 |
105 |
|
|
2 |
A' |
1453 |
1392 |
0.958 |
79 |
106 |
|
|
3 |
A' |
1096 |
1098 |
1.001 |
79 |
107 |
CO2 |
Carbon dioxide |
1 |
Σg |
1364 |
1333 |
0.977 |
80 |
108 |
|
|
2 |
Σu |
2417 |
2349 |
0.972 |
80 |
109 |
|
|
3 |
Πu |
652 |
667 |
1.023 |
80 |
110 |
N2O |
Nitrous oxide |
1 |
Σ |
2341 |
2224 |
0.950 |
81 |
111 |
|
|
2 |
Σ |
1291 |
1285 |
0.995 |
81 |
112 |
|
|
3 |
Π |
590 |
589 |
0.998 |
81 |
113 |
NaOH |
sodium hydroxide |
1 |
Σ |
3865 |
3637 |
0.941 |
82 |
114 |
|
|
2 |
Σ |
606 |
540 |
0.891 |
82 |
115 |
|
|
3 |
Π |
105 |
300 |
2.856 |
82 |
116 |
SiO2 |
silicon dioxide |
2 |
Σu |
1444 |
1416 |
0.981 |
83 |
117 |
|
|
3 |
Πu |
270 |
273 |
1.008 |
83 |
118 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2717 |
2615 |
0.963 |
84 |
119 |
|
|
2 |
A1 |
1264 |
1183 |
0.936 |
84 |
120 |
|
|
3 |
B2 |
2740 |
2626 |
0.958 |
84 |
121 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2864 |
2736 |
0.955 |
85 |
122 |
|
|
2 |
Σ |
1195 |
1172 |
0.981 |
85 |
123 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2110 |
2062 |
0.977 |
86 |
124 |
|
|
2 |
Σ |
873 |
859 |
0.984 |
86 |
125 |
|
|
3 |
Π |
501 |
520 |
1.037 |
86 |
126 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1149 |
1151 |
1.002 |
87 |
127 |
|
|
2 |
A1 |
510 |
518 |
1.014 |
87 |
128 |
|
|
3 |
B2 |
1353 |
1362 |
1.007 |
87 |
129 |
SSO |
Disulfur monoxide |
1 |
A' |
1146 |
1166 |
1.018 |
88 |
130 |
|
|
2 |
A' |
688 |
679 |
0.987 |
88 |
131 |
|
|
3 |
A' |
379 |
380 |
1.001 |
88 |
132 |
HCF |
Fluoromethylene |
1 |
A' |
2780 |
2643 |
0.951 |
89 |
133 |
|
|
2 |
A' |
1455 |
1403 |
0.965 |
89 |
134 |
|
|
3 |
A' |
1220 |
1189 |
0.974 |
89 |
135 |
HOF |
Hypofluorous acid |
1 |
A' |
3697 |
3578 |
0.968 |
90 |
136 |
|
|
2 |
A' |
1408 |
1362 |
0.968 |
90 |
137 |
|
|
3 |
A' |
951 |
893 |
0.939 |
90 |
138 |
CF2 |
Difluoromethylene |
1 |
A1 |
1260 |
1225 |
0.972 |
91 |
139 |
|
|
2 |
A1 |
660 |
667 |
1.011 |
91 |
140 |
|
|
3 |
B2 |
1171 |
1114 |
0.951 |
91 |
141 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1855 |
1844 |
0.994 |
92 |
142 |
|
|
2 |
A' |
848 |
766 |
0.903 |
92 |
143 |
|
|
3 |
A' |
583 |
520 |
0.893 |
92 |
144 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1100 |
1075 |
0.977 |
93 |
145 |
|
|
2 |
A1 |
565 |
573 |
1.015 |
93 |
146 |
|
|
3 |
B2 |
1010 |
942 |
0.933 |
93 |
147 |
F2O |
Difluorine monoxide |
1 |
A1 |
966 |
928 |
0.960 |
94 |
148 |
|
|
2 |
A1 |
462 |
461 |
0.998 |
94 |
149 |
|
|
3 |
B2 |
917 |
831 |
0.907 |
94 |
150 |
HOCl |
hypochlorous acid |
1 |
A' |
3717 |
3609 |
0.971 |
95 |
151 |
|
|
2 |
A' |
1326 |
1239 |
0.934 |
95 |
152 |
|
|
3 |
A' |
735 |
724 |
0.986 |
95 |
153 |
ClCN |
chlorocyanogen |
1 |
Σ |
2310 |
2216 |
0.960 |
96 |
154 |
|
|
2 |
Σ |
747 |
744 |
0.996 |
96 |
155 |
|
|
3 |
Π |
360 |
378 |
1.051 |
96 |
156 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1823 |
1800 |
0.987 |
97 |
157 |
|
|
2 |
A' |
624 |
596 |
0.954 |
97 |
158 |
|
|
3 |
A' |
345 |
332 |
0.963 |
97 |
159 |
OClO |
Chlorine dioxide |
1 |
A1 |
889 |
946 |
1.063 |
98 |
160 |
|
|
2 |
A1 |
417 |
448 |
1.073 |
98 |
161 |
|
|
3 |
B2 |
1059 |
1110 |
1.048 |
98 |
162 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
654 |
639 |
0.977 |
99 |
163 |
|
|
2 |
A1 |
300 |
296 |
0.988 |
99 |
164 |
|
|
3 |
B2 |
718 |
686 |
0.955 |
99 |
165 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
535 |
522 |
0.974 |
100 |
166 |
|
|
2 |
A1 |
207 |
201 |
0.970 |
100 |
167 |
|
|
3 |
B2 |
535 |
509 |
0.952 |
100 |
168 |
ClS2 |
Sulfur chloride |
1 |
A' |
622 |
662 |
1.064 |
101 |
169 |
|
|
2 |
A' |
498 |
450 |
0.903 |
101 |
170 |
|
|
3 |
A' |
209 |
196 |
0.938 |
101 |
171 |
BH3 |
boron trihydride |
2 |
A2" |
1165 |
1148 |
0.985 |
102 |
172 |
|
|
3 |
E' |
2736 |
2602 |
0.951 |
102 |
173 |
|
|
4 |
E' |
1228 |
1197 |
0.974 |
102 |
174 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1925 |
1900 |
0.987 |
103 |
175 |
|
|
2 |
A2" |
703 |
698 |
0.993 |
103 |
176 |
|
|
3 |
E' |
1942 |
1883 |
0.970 |
103 |
177 |
|
|
4 |
E' |
787 |
783 |
0.995 |
103 |
178 |
C2H2 |
Acetylene |
1 |
Σg |
3537 |
3374 |
0.954 |
104 |
179 |
|
|
2 |
Σg |
2052 |
1974 |
0.962 |
104 |
180 |
|
|
3 |
Σu |
3440 |
3289 |
0.956 |
104 |
181 |
|
|
4 |
Πg |
418 |
612 |
1.464 |
104 |
182 |
|
|
5 |
Πu |
751 |
730 |
0.972 |
104 |
183 |
SiH3 |
Silyl radical |
1 |
A1 |
2237 |
2136 |
0.955 |
105 |
184 |
|
|
2 |
A1 |
774 |
728 |
0.941 |
105 |
185 |
|
|
3 |
E |
2274 |
2185 |
0.961 |
105 |
186 |
|
|
4 |
E |
941 |
922 |
0.980 |
105 |
187 |
NH3 |
Ammonia |
1 |
A1 |
3452 |
3337 |
0.967 |
106 |
188 |
|
|
2 |
A1 |
1180 |
950 |
0.805 |
106 |
189 |
|
|
3 |
E |
3591 |
3444 |
0.959 |
106 |
190 |
|
|
4 |
E |
1751 |
1627 |
0.929 |
106 |
191 |
C2N2 |
Cyanogen |
1 |
Σg |
2446 |
2330 |
0.953 |
107 |
192 |
|
|
2 |
Σg |
868 |
846 |
0.975 |
107 |
193 |
|
|
3 |
Σu |
2240 |
2158 |
0.963 |
107 |
194 |
|
|
4 |
Πg |
516 |
503 |
0.974 |
107 |
195 |
|
|
5 |
Πu |
237 |
234 |
0.986 |
107 |
196 |
PH3 |
Phosphine |
1 |
A1 |
2427 |
2323 |
0.957 |
108 |
197 |
|
|
2 |
A1 |
1058 |
992 |
0.938 |
108 |
198 |
|
|
3 |
E |
2440 |
2328 |
0.954 |
108 |
199 |
|
|
4 |
E |
1147 |
1118 |
0.974 |
108 |
200 |
P4 |
Phosphorus tetramer |
1 |
A1 |
635 |
601 |
0.946 |
109 |
201 |
|
|
2 |
E |
375 |
361 |
0.962 |
109 |
202 |
|
|
3 |
T2 |
481 |
467 |
0.971 |
109 |
203 |
H2CO |
Formaldehyde |
1 |
A1 |
2975 |
2782 |
0.935 |
110 |
204 |
|
|
2 |
A1 |
1819 |
1746 |
0.960 |
110 |
205 |
|
|
3 |
A1 |
1574 |
1500 |
0.953 |
110 |
206 |
|
|
4 |
B1 |
1201 |
1167 |
0.972 |
110 |
207 |
|
|
5 |
B2 |
3038 |
2843 |
0.936 |
110 |
208 |
|
|
6 |
B2 |
1292 |
1249 |
0.967 |
110 |
209 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3726 |
3599 |
0.966 |
111 |
210 |
|
|
2 |
A |
1476 |
1402 |
0.950 |
111 |
211 |
|
|
3 |
A |
930 |
877 |
0.943 |
111 |
212 |
|
|
4 |
A |
349 |
371 |
1.062 |
111 |
213 |
|
|
5 |
B |
3728 |
3608 |
0.968 |
111 |
214 |
|
|
6 |
B |
1336 |
1266 |
0.947 |
111 |
215 |
HNCO |
Isocyanic acid |
1 |
A' |
3708 |
3538 |
0.954 |
112 |
216 |
|
|
2 |
A' |
2338 |
2269 |
0.970 |
112 |
217 |
|
|
3 |
A' |
1329 |
1327 |
0.998 |
112 |
218 |
|
|
4 |
A' |
808 |
777 |
0.961 |
112 |
219 |
|
|
5 |
A' |
561 |
577 |
1.029 |
112 |
220 |
|
|
6 |
A" |
613 |
656 |
1.070 |
112 |
221 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2113 |
2060 |
0.975 |
113 |
222 |
|
|
2 |
Σg |
621 |
585 |
0.943 |
113 |
223 |
|
|
3 |
Σu |
1926 |
1898 |
0.985 |
113 |
224 |
|
|
4 |
Πg |
491 |
410 |
0.836 |
113 |
225 |
|
|
5 |
Πu |
214 |
213 |
0.996 |
113 |
226 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3126 |
2971 |
0.950 |
114 |
227 |
|
|
2 |
A1 |
1556 |
1456 |
0.936 |
114 |
228 |
|
|
3 |
A1 |
1087 |
1059 |
0.975 |
114 |
229 |
|
|
4 |
B1 |
1028 |
990 |
0.963 |
114 |
230 |
|
|
5 |
B2 |
3212 |
3025 |
0.942 |
114 |
231 |
|
|
6 |
B2 |
1043 |
991 |
0.950 |
114 |
232 |
H2S2 |
Disulfane |
1 |
A |
2686 |
2556 |
0.951 |
115 |
233 |
|
|
2 |
A |
937 |
882 |
0.942 |
115 |
234 |
|
|
3 |
A |
522 |
515 |
0.986 |
115 |
235 |
|
|
4 |
A |
441 |
417 |
0.947 |
115 |
236 |
|
|
5 |
B |
2688 |
2559 |
0.952 |
115 |
237 |
|
|
6 |
B |
936 |
878 |
0.938 |
115 |
238 |
SO3 |
Sulfur trioxide |
1 |
A1' |
1049 |
1065 |
1.015 |
116 |
239 |
|
|
2 |
A2" |
476 |
498 |
1.046 |
116 |
240 |
|
|
3 |
E' |
1381 |
1391 |
1.007 |
116 |
241 |
|
|
4 |
E' |
511 |
530 |
1.037 |
116 |
242 |
BHF2 |
Difluoroborane |
1 |
A1 |
2769 |
2621 |
0.946 |
117 |
243 |
|
|
2 |
A1 |
1178 |
1164 |
0.988 |
117 |
244 |
|
|
3 |
A1 |
542 |
542 |
1.001 |
117 |
245 |
|
|
4 |
B1 |
956 |
924 |
0.966 |
117 |
246 |
|
|
5 |
B2 |
1472 |
1402 |
0.952 |
117 |
247 |
CF2O |
Carbonic difluoride |
1 |
A1 |
2015 |
1928 |
0.957 |
118 |
248 |
|
|
2 |
A1 |
985 |
965 |
0.980 |
118 |
249 |
|
|
3 |
A1 |
575 |
584 |
1.015 |
118 |
250 |
|
|
4 |
B1 |
771 |
774 |
1.004 |
118 |
251 |
|
|
5 |
B2 |
1321 |
1249 |
0.945 |
118 |
252 |
|
|
6 |
B2 |
619 |
626 |
1.011 |
118 |
253 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
891 |
888 |
0.996 |
119 |
254 |
|
|
2 |
A2" |
700 |
691 |
0.988 |
119 |
255 |
|
|
3 |
E' |
1504 |
1449 |
0.964 |
119 |
256 |
|
|
4 |
E' |
482 |
480 |
0.996 |
119 |
257 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1623 |
1523 |
0.938 |
120 |
258 |
|
|
2 |
Ag |
1079 |
1018 |
0.944 |
120 |
259 |
|
|
3 |
Ag |
617 |
603 |
0.977 |
120 |
260 |
|
|
4 |
Au |
368 |
364 |
0.990 |
120 |
261 |
|
|
5 |
Bu |
1044 |
991 |
0.949 |
120 |
262 |
|
|
6 |
Bu |
427 |
423 |
0.990 |
120 |
263 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1120 |
1089 |
0.973 |
121 |
264 |
|
|
2 |
A1 |
701 |
701 |
1.000 |
121 |
265 |
|
|
3 |
E |
1326 |
1260 |
0.950 |
121 |
266 |
|
|
4 |
E |
503 |
509 |
1.012 |
121 |
267 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1066 |
1032 |
0.968 |
122 |
268 |
|
|
2 |
A1 |
653 |
647 |
0.991 |
122 |
269 |
|
|
3 |
E |
992 |
907 |
0.914 |
122 |
270 |
|
|
4 |
E |
493 |
492 |
0.999 |
122 |
271 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
712 |
690 |
0.968 |
123 |
272 |
|
|
2 |
A2" |
303 |
297 |
0.979 |
123 |
273 |
|
|
3 |
E' |
997 |
935 |
0.938 |
123 |
274 |
|
|
4 |
E' |
262 |
263 |
1.005 |
123 |
275 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
914 |
892 |
0.975 |
124 |
276 |
|
|
2 |
A1 |
470 |
487 |
1.035 |
124 |
277 |
|
|
3 |
E |
902 |
860 |
0.954 |
124 |
278 |
|
|
4 |
E |
329 |
344 |
1.047 |
124 |
279 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2752 |
2617 |
0.951 |
125 |
280 |
|
|
2 |
A1 |
763 |
740 |
0.970 |
125 |
281 |
|
|
4 |
B1 |
811 |
784 |
0.967 |
125 |
282 |
|
|
5 |
B2 |
1153 |
1089 |
0.945 |
125 |
283 |
|
|
6 |
B2 |
942 |
892 |
0.947 |
125 |
284 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1362 |
1267 |
0.931 |
126 |
285 |
|
|
2 |
A1 |
811 |
793 |
0.977 |
126 |
286 |
|
|
3 |
A1 |
409 |
364 |
0.889 |
126 |
287 |
|
|
4 |
B1 |
674 |
652 |
0.966 |
126 |
288 |
|
|
5 |
B2 |
1753 |
1684 |
0.961 |
126 |
289 |
|
|
6 |
B2 |
426 |
408 |
0.959 |
126 |
290 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
782 |
752 |
0.961 |
127 |
291 |
|
|
2 |
A1 |
574 |
529 |
0.922 |
127 |
292 |
|
|
3 |
A1 |
338 |
328 |
0.971 |
127 |
293 |
|
|
4 |
B1 |
323 |
328 |
1.016 |
127 |
294 |
|
|
5 |
B2 |
782 |
702 |
0.898 |
127 |
295 |
|
|
6 |
B2 |
434 |
442 |
1.017 |
127 |
296 |
CCl2O |
Phosgene |
1 |
A1 |
1886 |
1827 |
0.969 |
128 |
297 |
|
|
2 |
A1 |
591 |
567 |
0.960 |
128 |
298 |
|
|
3 |
A1 |
315 |
285 |
0.905 |
128 |
299 |
|
|
4 |
B1 |
594 |
580 |
0.976 |
128 |
300 |
|
|
5 |
B2 |
907 |
849 |
0.936 |
128 |
301 |
|
|
6 |
B2 |
457 |
440 |
0.963 |
128 |
302 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
859 |
820 |
0.955 |
129 |
303 |
|
|
2 |
A1 |
522 |
500 |
0.958 |
129 |
304 |
|
|
3 |
A1 |
248 |
250 |
1.009 |
129 |
305 |
|
|
4 |
B1 |
271 |
260 |
0.959 |
129 |
306 |
|
|
5 |
B2 |
986 |
900 |
0.913 |
129 |
307 |
|
|
6 |
B2 |
193 |
200 |
1.034 |
129 |
308 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
491 |
471 |
0.960 |
130 |
309 |
|
|
2 |
A2" |
474 |
460 |
0.970 |
130 |
310 |
|
|
3 |
E' |
1002 |
956 |
0.954 |
130 |
311 |
|
|
4 |
E' |
270 |
243 |
0.902 |
130 |
312 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
921 |
850 |
0.923 |
131 |
313 |
|
|
2 |
A1 |
449 |
450 |
1.003 |
131 |
314 |
|
|
3 |
A1 |
158 |
150 |
0.947 |
131 |
315 |
|
|
4 |
B1 |
239 |
220 |
0.922 |
131 |
316 |
|
|
5 |
B2 |
652 |
610 |
0.936 |
131 |
317 |
|
|
6 |
B2 |
211 |
200 |
0.947 |
131 |
318 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
394 |
375 |
0.952 |
132 |
319 |
|
|
2 |
A2" |
208 |
183 |
0.881 |
132 |
320 |
|
|
3 |
E' |
642 |
595 |
0.927 |
132 |
321 |
|
|
4 |
E' |
153 |
150 |
0.981 |
132 |
322 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
520 |
504 |
0.969 |
133 |
323 |
|
|
2 |
A1 |
267 |
252 |
0.945 |
133 |
324 |
|
|
3 |
E |
522 |
482 |
0.923 |
133 |
325 |
|
|
4 |
E |
189 |
198 |
1.050 |
133 |
326 |
CH4 |
Methane |
1 |
A1 |
3065 |
2917 |
0.952 |
134 |
327 |
|
|
2 |
E |
1602 |
1534 |
0.957 |
134 |
328 |
|
|
3 |
T2 |
3186 |
3019 |
0.948 |
134 |
329 |
|
|
4 |
T2 |
1400 |
1306 |
0.933 |
134 |
330 |
SiH4 |
Silane |
1 |
A1 |
2265 |
2187 |
0.966 |
135 |
331 |
|
|
2 |
E |
975 |
975 |
1.000 |
135 |
332 |
|
|
3 |
T2 |
2279 |
2191 |
0.961 |
135 |
333 |
|
|
4 |
T2 |
927 |
914 |
0.986 |
135 |
334 |
CH2NH |
Methanimine |
1 |
A' |
3420 |
3263 |
0.954 |
136 |
335 |
|
|
2 |
A' |
3191 |
3024 |
0.948 |
136 |
336 |
|
|
3 |
A' |
3086 |
2914 |
0.944 |
136 |
337 |
|
|
4 |
A' |
1723 |
1638 |
0.951 |
136 |
338 |
|
|
5 |
A' |
1518 |
1452 |
0.956 |
136 |
339 |
|
|
6 |
A' |
1413 |
1344 |
0.951 |
136 |
340 |
|
|
7 |
A' |
1095 |
1058 |
0.967 |
136 |
341 |
|
|
8 |
A" |
1177 |
1127 |
0.957 |
136 |
342 |
|
|
9 |
A" |
1090 |
1061 |
0.973 |
136 |
343 |
CH2CO |
Ketene |
1 |
A1 |
3236 |
3070 |
0.949 |
137 |
344 |
|
|
2 |
A1 |
2222 |
2152 |
0.969 |
137 |
345 |
|
|
3 |
A1 |
1457 |
1388 |
0.953 |
137 |
346 |
|
|
4 |
A1 |
1178 |
1118 |
0.949 |
137 |
347 |
|
|
5 |
B1 |
615 |
588 |
0.957 |
137 |
348 |
|
|
6 |
B1 |
522 |
528 |
1.011 |
137 |
349 |
|
|
7 |
B2 |
3335 |
3166 |
0.949 |
137 |
350 |
|
|
8 |
B2 |
1026 |
977 |
0.952 |
137 |
351 |
|
|
9 |
B2 |
441 |
433 |
0.982 |
137 |
352 |
HCOOH |
Formic acid |
1 |
A' |
3694 |
3570 |
0.966 |
138 |
353 |
|
|
2 |
A' |
3136 |
2943 |
0.938 |
138 |
354 |
|
|
3 |
A' |
1860 |
1770 |
0.951 |
138 |
355 |
|
|
4 |
A' |
1441 |
1387 |
0.963 |
138 |
356 |
|
|
5 |
A' |
1353 |
1229 |
0.909 |
138 |
357 |
|
|
6 |
A' |
1165 |
1105 |
0.949 |
138 |
358 |
|
|
7 |
A' |
632 |
625 |
0.989 |
138 |
359 |
|
|
8 |
A" |
1066 |
1033 |
0.969 |
138 |
360 |
|
|
9 |
A" |
700 |
638 |
0.912 |
138 |
361 |
HNO3 |
Nitric acid |
1 |
A' |
3679 |
3550 |
0.965 |
139 |
362 |
|
|
2 |
A' |
1797 |
1708 |
0.950 |
139 |
363 |
|
|
3 |
A' |
1400 |
1331 |
0.951 |
139 |
364 |
|
|
4 |
A' |
1372 |
1325 |
0.966 |
139 |
365 |
|
|
5 |
A' |
940 |
879 |
0.935 |
139 |
366 |
|
|
6 |
A' |
671 |
647 |
0.965 |
139 |
367 |
|
|
7 |
A' |
590 |
579 |
0.982 |
139 |
368 |
|
|
8 |
A" |
774 |
762 |
0.985 |
139 |
369 |
|
|
9 |
A" |
498 |
456 |
0.916 |
139 |
370 |
CH3F |
Methyl fluoride |
1 |
A1 |
3071 |
2930 |
0.954 |
140 |
371 |
|
|
2 |
A1 |
1541 |
1464 |
0.950 |
140 |
372 |
|
|
3 |
A1 |
1102 |
1049 |
0.952 |
140 |
373 |
|
|
4 |
E |
3158 |
3006 |
0.952 |
140 |
374 |
|
|
5 |
E |
1547 |
1467 |
0.948 |
140 |
375 |
|
|
6 |
E |
1216 |
1182 |
0.972 |
140 |
376 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3107 |
2948 |
0.949 |
141 |
377 |
|
|
2 |
A1 |
1597 |
1508 |
0.944 |
141 |
378 |
|
|
3 |
A1 |
1147 |
1111 |
0.969 |
141 |
379 |
|
|
4 |
A1 |
523 |
529 |
1.010 |
141 |
380 |
|
|
5 |
A2 |
1297 |
1262 |
0.973 |
141 |
381 |
|
|
6 |
B1 |
3178 |
3014 |
0.948 |
141 |
382 |
|
|
7 |
B1 |
1212 |
1178 |
0.972 |
141 |
383 |
|
|
8 |
B2 |
1513 |
1435 |
0.948 |
141 |
384 |
|
|
9 |
B2 |
1165 |
1090 |
0.936 |
141 |
385 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3198 |
3036 |
0.949 |
142 |
386 |
|
|
2 |
A1 |
1172 |
1117 |
0.953 |
142 |
387 |
|
|
3 |
A1 |
704 |
700 |
0.994 |
142 |
388 |
|
|
4 |
E |
1461 |
1372 |
0.939 |
142 |
389 |
|
|
5 |
E |
1227 |
1152 |
0.939 |
142 |
390 |
|
|
6 |
E |
505 |
507 |
1.003 |
142 |
391 |
SiH3F |
monofluorosilane |
1 |
A1 |
2295 |
2206 |
0.961 |
143 |
392 |
|
|
2 |
A1 |
1043 |
990 |
0.950 |
143 |
393 |
|
|
3 |
A1 |
895 |
872 |
0.974 |
143 |
394 |
|
|
4 |
E |
2304 |
2196 |
0.953 |
143 |
395 |
|
|
5 |
E |
971 |
956 |
0.984 |
143 |
396 |
|
|
6 |
E |
751 |
728 |
0.969 |
143 |
397 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
802 |
800 |
0.997 |
144 |
398 |
|
|
2 |
E |
261 |
268 |
1.026 |
144 |
399 |
|
|
3 |
T2 |
1060 |
1032 |
0.974 |
144 |
400 |
|
|
4 |
T2 |
386 |
389 |
1.007 |
144 |
401 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3113 |
2966 |
0.953 |
145 |
402 |
|
|
2 |
A1 |
1450 |
1355 |
0.934 |
145 |
403 |
|
|
3 |
A1 |
764 |
732 |
0.958 |
145 |
404 |
|
|
4 |
E |
3214 |
3042 |
0.946 |
145 |
405 |
|
|
5 |
E |
1530 |
1455 |
0.951 |
145 |
406 |
|
|
6 |
E |
1073 |
1015 |
0.946 |
145 |
407 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2290 |
2201 |
0.961 |
146 |
408 |
|
|
2 |
A1 |
975 |
949 |
0.974 |
146 |
409 |
|
|
3 |
A1 |
563 |
551 |
0.978 |
146 |
410 |
|
|
4 |
E |
2306 |
2195 |
0.952 |
146 |
411 |
|
|
5 |
E |
963 |
954 |
0.990 |
146 |
412 |
|
|
6 |
E |
674 |
664 |
0.985 |
146 |
413 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3162 |
2999 |
0.948 |
147 |
414 |
|
|
2 |
A1 |
1518 |
1467 |
0.966 |
147 |
415 |
|
|
3 |
A1 |
742 |
717 |
0.967 |
147 |
416 |
|
|
4 |
A1 |
297 |
282 |
0.951 |
147 |
417 |
|
|
5 |
A2 |
1235 |
1153 |
0.934 |
147 |
418 |
|
|
6 |
B1 |
3237 |
3040 |
0.939 |
147 |
419 |
|
|
7 |
B1 |
942 |
898 |
0.953 |
147 |
420 |
|
|
8 |
B2 |
1364 |
1268 |
0.929 |
147 |
421 |
|
|
9 |
B2 |
806 |
758 |
0.940 |
147 |
422 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2320 |
2224 |
0.959 |
148 |
423 |
|
|
2 |
A1 |
973 |
954 |
0.980 |
148 |
424 |
|
|
3 |
A1 |
540 |
527 |
0.975 |
148 |
425 |
|
|
4 |
A1 |
191 |
188 |
0.985 |
148 |
426 |
|
|
5 |
A2 |
731 |
710 |
0.971 |
148 |
427 |
|
|
6 |
B1 |
2338 |
2237 |
0.957 |
148 |
428 |
|
|
7 |
B1 |
612 |
602 |
0.983 |
148 |
429 |
|
|
8 |
B2 |
906 |
876 |
0.966 |
148 |
430 |
|
|
9 |
B2 |
609 |
590 |
0.969 |
148 |
431 |
CHCl3 |
Chloroform |
1 |
A1 |
3218 |
3034 |
0.943 |
149 |
432 |
|
|
2 |
A1 |
698 |
680 |
0.975 |
149 |
433 |
|
|
3 |
A1 |
383 |
366 |
0.955 |
149 |
434 |
|
|
4 |
E |
1310 |
1220 |
0.931 |
149 |
435 |
|
|
5 |
E |
821 |
774 |
0.943 |
149 |
436 |
|
|
6 |
E |
274 |
260 |
0.948 |
149 |
437 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1172 |
1205 |
1.028 |
150 |
438 |
|
|
2 |
A1 |
562 |
577 |
1.027 |
150 |
439 |
|
|
3 |
A1 |
401 |
408 |
1.019 |
150 |
440 |
|
|
4 |
A1 |
208 |
218 |
1.046 |
150 |
441 |
|
|
5 |
A2 |
270 |
282 |
1.044 |
150 |
442 |
|
|
6 |
B1 |
605 |
586 |
0.968 |
150 |
443 |
|
|
7 |
B1 |
379 |
388 |
1.023 |
150 |
444 |
|
|
8 |
B2 |
1420 |
1434 |
1.010 |
150 |
445 |
|
|
9 |
B2 |
358 |
362 |
1.010 |
150 |
446 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2359 |
2261 |
0.958 |
151 |
447 |
|
|
2 |
A1 |
507 |
499 |
0.985 |
151 |
448 |
|
|
3 |
A1 |
260 |
254 |
0.977 |
151 |
449 |
|
|
4 |
E |
832 |
811 |
0.974 |
151 |
450 |
|
|
5 |
E |
622 |
600 |
0.965 |
151 |
451 |
|
|
6 |
E |
178 |
176 |
0.987 |
151 |
452 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
477 |
459 |
0.963 |
152 |
453 |
|
|
2 |
E |
231 |
217 |
0.939 |
152 |
454 |
|
|
3 |
T2 |
837 |
776 |
0.927 |
152 |
455 |
|
|
4 |
T2 |
332 |
314 |
0.947 |
152 |
456 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
430 |
424 |
0.985 |
153 |
457 |
|
|
2 |
E |
150 |
150 |
0.998 |
153 |
458 |
|
|
3 |
T2 |
643 |
621 |
0.966 |
153 |
459 |
|
|
4 |
T2 |
227 |
221 |
0.972 |
153 |
460 |
C2H4 |
Ethylene |
1 |
Ag |
3188 |
3026 |
0.949 |
154 |
461 |
|
|
2 |
Ag |
1717 |
1623 |
0.945 |
154 |
462 |
|
|
3 |
Ag |
1402 |
1342 |
0.957 |
154 |
463 |
|
|
4 |
Au |
1057 |
1023 |
0.968 |
154 |
464 |
|
|
5 |
B1u |
3169 |
2989 |
0.943 |
154 |
465 |
|
|
6 |
B1u |
1510 |
1444 |
0.956 |
154 |
466 |
|
|
7 |
B2g |
935 |
940 |
1.005 |
154 |
467 |
|
|
8 |
B2u |
3269 |
3105 |
0.950 |
154 |
468 |
|
|
9 |
B2u |
846 |
826 |
0.976 |
154 |
469 |
|
|
10 |
B3g |
3246 |
3086 |
0.951 |
154 |
470 |
|
|
11 |
B3g |
1259 |
1217 |
0.967 |
154 |
471 |
|
|
12 |
B3u |
977 |
949 |
0.972 |
154 |
472 |
C3H3 |
Propargyl radical |
1 |
A1 |
3487 |
3322 |
0.953 |
155 |
473 |
|
|
6 |
B1 |
643 |
687 |
1.068 |
155 |
474 |
|
|
7 |
B1 |
418 |
490 |
1.173 |
155 |
475 |
N2H4 |
Hydrazine |
1 |
A |
3563 |
3398 |
0.954 |
156 |
476 |
|
|
2 |
A |
3454 |
3329 |
0.964 |
156 |
477 |
|
|
3 |
A |
1747 |
1642 |
0.940 |
156 |
478 |
|
|
4 |
A |
1382 |
1275 |
0.922 |
156 |
479 |
|
|
5 |
A |
1160 |
1076 |
0.928 |
156 |
480 |
|
|
6 |
A |
902 |
780 |
0.864 |
156 |
481 |
|
|
7 |
A |
411 |
377 |
0.916 |
156 |
482 |
|
|
8 |
B |
3568 |
3350 |
0.939 |
156 |
483 |
|
|
9 |
B |
3441 |
3314 |
0.963 |
156 |
484 |
|
|
10 |
B |
1734 |
1628 |
0.939 |
156 |
485 |
|
|
11 |
B |
1345 |
1275 |
0.948 |
156 |
486 |
|
|
12 |
B |
1091 |
966 |
0.885 |
156 |
487 |
CH3CN |
Acetonitrile |
1 |
A1 |
3091 |
2954 |
0.956 |
157 |
488 |
|
|
2 |
A1 |
2356 |
2267 |
0.962 |
157 |
489 |
|
|
3 |
A1 |
1464 |
1385 |
0.946 |
157 |
490 |
|
|
4 |
A1 |
939 |
920 |
0.979 |
157 |
491 |
|
|
5 |
E |
3176 |
3009 |
0.948 |
157 |
492 |
|
|
6 |
E |
1526 |
1448 |
0.949 |
157 |
493 |
|
|
7 |
E |
1089 |
1041 |
0.956 |
157 |
494 |
|
|
8 |
E |
361 |
362 |
1.003 |
157 |
495 |
CH3OH |
Methyl alcohol |
1 |
A' |
3771 |
3681 |
0.976 |
158 |
496 |
|
|
2 |
A' |
3164 |
3000 |
0.948 |
158 |
497 |
|
|
3 |
A' |
3032 |
2844 |
0.938 |
158 |
498 |
|
|
4 |
A' |
1561 |
1477 |
0.946 |
158 |
499 |
|
|
5 |
A' |
1527 |
1455 |
0.953 |
158 |
500 |
|
|
6 |
A' |
1423 |
1345 |
0.945 |
158 |
501 |
|
|
7 |
A' |
1109 |
1060 |
0.956 |
158 |
502 |
|
|
8 |
A' |
1084 |
1033 |
0.953 |
158 |
503 |
|
|
9 |
A" |
3086 |
2960 |
0.959 |
158 |
504 |
|
|
10 |
A" |
1547 |
1477 |
0.955 |
158 |
505 |
|
|
11 |
A" |
1196 |
1165 |
0.974 |
158 |
506 |
|
|
12 |
A" |
350 |
200 |
0.572 |
158 |
507 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3030 |
2843 |
0.938 |
159 |
508 |
|
|
2 |
Ag |
1828 |
1745 |
0.954 |
159 |
509 |
|
|
3 |
Ag |
1399 |
1338 |
0.957 |
159 |
510 |
|
|
4 |
Ag |
1114 |
1065 |
0.956 |
159 |
511 |
|
|
5 |
Ag |
569 |
551 |
0.968 |
159 |
512 |
|
|
6 |
Au |
820 |
801 |
0.977 |
159 |
513 |
|
|
7 |
Au |
146 |
127 |
0.873 |
159 |
514 |
|
|
8 |
Bg |
1070 |
1048 |
0.980 |
159 |
515 |
|
|
9 |
Bu |
3025 |
2835 |
0.937 |
159 |
516 |
|
|
10 |
Bu |
1795 |
1732 |
0.965 |
159 |
517 |
|
|
11 |
Bu |
1366 |
1312 |
0.961 |
159 |
518 |
|
|
12 |
Bu |
338 |
339 |
1.002 |
159 |
519 |
CH3SH |
Methanethiol |
1 |
A' |
3185 |
3000 |
0.942 |
160 |
520 |
|
|
2 |
A' |
3093 |
2931 |
0.948 |
160 |
521 |
|
|
3 |
A' |
2716 |
2597 |
0.956 |
160 |
522 |
|
|
4 |
A' |
1538 |
1475 |
0.959 |
160 |
523 |
|
|
5 |
A' |
1435 |
1335 |
0.930 |
160 |
524 |
|
|
6 |
A' |
1142 |
1074 |
0.941 |
160 |
525 |
|
|
7 |
A' |
829 |
803 |
0.968 |
160 |
526 |
|
|
8 |
A' |
745 |
708 |
0.951 |
160 |
527 |
|
|
9 |
A" |
3182 |
3000 |
0.943 |
160 |
528 |
|
|
10 |
A" |
1525 |
1430 |
0.938 |
160 |
529 |
|
|
11 |
A" |
1021 |
976 |
0.956 |
160 |
530 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3306 |
3115 |
0.942 |
161 |
531 |
|
|
2 |
A' |
3246 |
3080 |
0.949 |
161 |
532 |
|
|
3 |
A' |
3209 |
3052 |
0.951 |
161 |
533 |
|
|
4 |
A' |
1750 |
1654 |
0.945 |
161 |
534 |
|
|
5 |
A' |
1455 |
1380 |
0.949 |
161 |
535 |
|
|
6 |
A' |
1358 |
1306 |
0.962 |
161 |
536 |
|
|
7 |
A' |
1197 |
1156 |
0.965 |
161 |
537 |
|
|
8 |
A' |
959 |
929 |
0.969 |
161 |
538 |
|
|
9 |
A' |
484 |
483 |
0.998 |
161 |
539 |
|
|
10 |
A" |
965 |
940 |
0.974 |
161 |
540 |
|
|
11 |
A" |
868 |
863 |
0.994 |
161 |
541 |
|
|
12 |
A" |
729 |
711 |
0.975 |
161 |
542 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3239 |
3070 |
0.948 |
162 |
543 |
|
|
2 |
A1 |
1828 |
1728 |
0.945 |
162 |
544 |
|
|
3 |
A1 |
1441 |
1360 |
0.944 |
162 |
545 |
|
|
4 |
A1 |
947 |
926 |
0.978 |
162 |
546 |
|
|
5 |
A1 |
541 |
550 |
1.018 |
162 |
547 |
|
|
6 |
A2 |
735 |
714 |
0.971 |
162 |
548 |
|
|
7 |
B1 |
812 |
803 |
0.989 |
162 |
549 |
|
|
8 |
B1 |
606 |
611 |
1.007 |
162 |
550 |
|
|
9 |
B2 |
3340 |
3154 |
0.944 |
162 |
551 |
|
|
10 |
B2 |
1380 |
1302 |
0.943 |
162 |
552 |
|
|
11 |
B2 |
986 |
955 |
0.968 |
162 |
553 |
|
|
12 |
B2 |
436 |
438 |
1.005 |
162 |
554 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
809 |
816 |
1.009 |
163 |
555 |
|
|
2 |
A1' |
688 |
648 |
0.942 |
163 |
556 |
|
|
3 |
A2" |
1027 |
947 |
0.922 |
163 |
557 |
|
|
4 |
A2" |
556 |
575 |
1.034 |
163 |
558 |
|
|
5 |
E' |
1052 |
1024 |
0.974 |
163 |
559 |
|
|
6 |
E' |
518 |
533 |
1.030 |
163 |
560 |
|
|
7 |
E' |
182 |
174 |
0.957 |
163 |
561 |
|
|
8 |
E" |
490 |
520 |
1.061 |
163 |
562 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3288 |
3121 |
0.949 |
164 |
563 |
|
|
2 |
A' |
3253 |
3086 |
0.949 |
164 |
564 |
|
|
3 |
A' |
3195 |
3030 |
0.948 |
164 |
565 |
|
|
4 |
A' |
1702 |
1608 |
0.945 |
164 |
566 |
|
|
5 |
A' |
1445 |
1368 |
0.947 |
164 |
567 |
|
|
6 |
A' |
1342 |
1279 |
0.953 |
164 |
568 |
|
|
7 |
A' |
1073 |
1030 |
0.960 |
164 |
569 |
|
|
8 |
A' |
745 |
720 |
0.967 |
164 |
570 |
|
|
9 |
A' |
405 |
395 |
0.976 |
164 |
571 |
|
|
10 |
A" |
982 |
941 |
0.958 |
164 |
572 |
|
|
11 |
A" |
916 |
896 |
0.978 |
164 |
573 |
|
|
12 |
A" |
634 |
620 |
0.979 |
164 |
574 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3210 |
3035 |
0.946 |
165 |
575 |
|
|
2 |
A1 |
1706 |
1627 |
0.954 |
165 |
576 |
|
|
3 |
A1 |
1445 |
1400 |
0.969 |
165 |
577 |
|
|
4 |
A1 |
621 |
603 |
0.972 |
165 |
578 |
|
|
5 |
A1 |
309 |
299 |
0.968 |
165 |
579 |
|
|
6 |
A2 |
707 |
686 |
0.970 |
165 |
580 |
|
|
7 |
B1 |
901 |
875 |
0.971 |
165 |
581 |
|
|
8 |
B1 |
470 |
460 |
0.979 |
165 |
582 |
|
|
9 |
B2 |
3305 |
3130 |
0.947 |
165 |
583 |
|
|
10 |
B2 |
1145 |
1095 |
0.956 |
165 |
584 |
|
|
11 |
B2 |
831 |
800 |
0.963 |
165 |
585 |
|
|
12 |
B2 |
384 |
372 |
0.968 |
165 |
586 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3270 |
3077 |
0.941 |
166 |
587 |
|
|
2 |
A1 |
1700 |
1587 |
0.934 |
166 |
588 |
|
|
3 |
A1 |
1260 |
1179 |
0.936 |
166 |
589 |
|
|
4 |
A1 |
739 |
711 |
0.962 |
166 |
590 |
|
|
5 |
A1 |
172 |
173 |
1.006 |
166 |
591 |
|
|
6 |
A2 |
913 |
876 |
0.960 |
166 |
592 |
|
|
7 |
A2 |
418 |
406 |
0.971 |
166 |
593 |
|
|
8 |
B1 |
733 |
697 |
0.951 |
166 |
594 |
|
|
9 |
B2 |
3249 |
3072 |
0.946 |
166 |
595 |
|
|
10 |
B2 |
1371 |
1303 |
0.950 |
166 |
596 |
|
|
11 |
B2 |
896 |
857 |
0.957 |
166 |
597 |
|
|
12 |
B2 |
585 |
571 |
0.976 |
166 |
598 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3268 |
3073 |
0.940 |
167 |
599 |
|
|
2 |
Ag |
1694 |
1578 |
0.931 |
167 |
600 |
|
|
3 |
Ag |
1342 |
1274 |
0.950 |
167 |
601 |
|
|
4 |
Ag |
889 |
846 |
0.952 |
167 |
602 |
|
|
5 |
Ag |
358 |
350 |
0.977 |
167 |
603 |
|
|
6 |
Au |
948 |
900 |
0.949 |
167 |
604 |
|
|
7 |
Au |
217 |
227 |
1.044 |
167 |
605 |
|
|
8 |
Bg |
786 |
763 |
0.971 |
167 |
606 |
|
|
9 |
Bu |
3263 |
3090 |
0.947 |
167 |
607 |
|
|
10 |
Bu |
1275 |
1200 |
0.941 |
167 |
608 |
|
|
11 |
Bu |
859 |
828 |
0.964 |
167 |
609 |
|
|
12 |
Bu |
245 |
250 |
1.022 |
167 |
610 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1176 |
1122 |
0.954 |
168 |
611 |
|
|
2 |
A1 |
419 |
401 |
0.958 |
168 |
612 |
|
|
3 |
A1 |
180 |
176 |
0.978 |
168 |
613 |
|
|
5 |
B2 |
761 |
728 |
0.956 |
168 |
614 |
|
|
6 |
B2 |
306 |
289 |
0.944 |
168 |
615 |
|
|
7 |
E |
968 |
917 |
0.947 |
168 |
616 |
|
|
8 |
E |
515 |
512 |
0.995 |
168 |
617 |
|
|
9 |
E |
104 |
104 |
1.001 |
168 |
618 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
400 |
394 |
0.985 |
169 |
619 |
|
|
2 |
A1' |
293 |
264 |
0.902 |
169 |
620 |
|
|
3 |
A2" |
467 |
465 |
0.996 |
169 |
621 |
|
|
4 |
A2" |
311 |
299 |
0.960 |
169 |
622 |
|
|
5 |
E' |
599 |
592 |
0.989 |
169 |
623 |
|
|
6 |
E' |
278 |
273 |
0.982 |
169 |
624 |
|
|
7 |
E' |
97 |
100 |
1.035 |
169 |
625 |
|
|
8 |
E" |
269 |
282 |
1.048 |
169 |
626 |
CH3CCH |
propyne |
1 |
A1 |
3493 |
3334 |
0.954 |
170 |
627 |
|
|
2 |
A1 |
3073 |
2918 |
0.950 |
170 |
628 |
|
|
3 |
A1 |
2232 |
2124 |
0.952 |
170 |
629 |
|
|
4 |
A1 |
1465 |
1382 |
0.943 |
170 |
630 |
|
|
5 |
A1 |
954 |
931 |
0.976 |
170 |
631 |
|
|
6 |
E |
3148 |
3008 |
0.956 |
170 |
632 |
|
|
7 |
E |
1532 |
1452 |
0.948 |
170 |
633 |
|
|
8 |
E |
1078 |
1053 |
0.976 |
170 |
634 |
|
|
9 |
E |
539 |
633 |
1.175 |
170 |
635 |
|
|
10 |
E |
266 |
328 |
1.233 |
170 |
636 |
CH2CCH2 |
allene |
1 |
A1 |
3174 |
3015 |
0.950 |
171 |
637 |
|
|
2 |
A1 |
1525 |
1443 |
0.946 |
171 |
638 |
|
|
3 |
A1 |
1111 |
1073 |
0.966 |
171 |
639 |
|
|
4 |
B1 |
885 |
865 |
0.977 |
171 |
640 |
|
|
5 |
B2 |
3173 |
3007 |
0.948 |
171 |
641 |
|
|
6 |
B2 |
2067 |
1957 |
0.947 |
171 |
642 |
|
|
7 |
B2 |
1473 |
1398 |
0.949 |
171 |
643 |
|
|
8 |
E |
3251 |
3086 |
0.949 |
171 |
644 |
|
|
9 |
E |
1051 |
999 |
0.950 |
171 |
645 |
|
|
10 |
E |
879 |
841 |
0.957 |
171 |
646 |
|
|
11 |
E |
360 |
355 |
0.985 |
171 |
647 |
C3H4 |
cyclopropene |
1 |
A1 |
3342 |
3158 |
0.945 |
172 |
648 |
|
|
2 |
A1 |
3094 |
2909 |
0.940 |
172 |
649 |
|
|
3 |
A1 |
1743 |
1653 |
0.948 |
172 |
650 |
|
|
4 |
A1 |
1570 |
1483 |
0.945 |
172 |
651 |
|
|
5 |
A1 |
1204 |
1110 |
0.922 |
172 |
652 |
|
|
6 |
A1 |
954 |
905 |
0.949 |
172 |
653 |
|
|
7 |
A2 |
1039 |
996 |
0.959 |
172 |
654 |
|
|
8 |
A2 |
822 |
820 |
0.997 |
172 |
655 |
|
|
9 |
B1 |
3159 |
2995 |
0.948 |
172 |
656 |
|
|
10 |
B1 |
1138 |
1088 |
0.956 |
172 |
657 |
|
|
11 |
B1 |
580 |
569 |
0.981 |
172 |
658 |
|
|
12 |
B2 |
3297 |
3124 |
0.948 |
172 |
659 |
|
|
13 |
B2 |
1110 |
1043 |
0.940 |
172 |
660 |
|
|
14 |
B2 |
1071 |
1011 |
0.944 |
172 |
661 |
|
|
15 |
B2 |
817 |
769 |
0.941 |
172 |
662 |
CH3NH2 |
methyl amine |
1 |
A' |
3482 |
3361 |
0.965 |
173 |
663 |
|
|
2 |
A' |
3108 |
2961 |
0.953 |
173 |
664 |
|
|
3 |
A' |
3014 |
2820 |
0.936 |
173 |
665 |
|
|
4 |
A' |
1731 |
1623 |
0.937 |
173 |
666 |
|
|
5 |
A' |
1548 |
1473 |
0.951 |
173 |
667 |
|
|
6 |
A' |
1504 |
1430 |
0.951 |
173 |
668 |
|
|
7 |
A' |
1219 |
1130 |
0.927 |
173 |
669 |
|
|
8 |
A' |
1091 |
1044 |
0.957 |
173 |
670 |
|
|
9 |
A' |
918 |
780 |
0.850 |
173 |
671 |
|
|
10 |
A" |
3569 |
3427 |
0.960 |
173 |
672 |
|
|
11 |
A" |
3148 |
2985 |
0.948 |
173 |
673 |
|
|
12 |
A" |
1566 |
1485 |
0.948 |
173 |
674 |
|
|
13 |
A" |
1393 |
1335 |
0.958 |
173 |
675 |
|
|
14 |
A" |
996 |
|
|
173 |
676 |
|
|
15 |
A" |
338 |
268 |
0.793 |
173 |
677 |
C3H3N |
acrylonitrile |
1 |
A' |
3286 |
3125 |
0.951 |
174 |
678 |
|
|
2 |
A' |
3225 |
3078 |
0.954 |
174 |
679 |
|
|
3 |
A' |
3195 |
3042 |
0.952 |
174 |
680 |
|
|
4 |
A' |
2336 |
2239 |
0.959 |
174 |
681 |
|
|
5 |
A' |
1709 |
1615 |
0.945 |
174 |
682 |
|
|
6 |
A' |
1476 |
1416 |
0.959 |
174 |
683 |
|
|
7 |
A' |
1346 |
1282 |
0.952 |
174 |
684 |
|
|
8 |
A' |
1132 |
1096 |
0.968 |
174 |
685 |
|
|
9 |
A' |
889 |
869 |
0.978 |
174 |
686 |
|
|
10 |
A' |
570 |
570 |
1.000 |
174 |
687 |
|
|
11 |
A' |
234 |
242 |
1.034 |
174 |
688 |
|
|
12 |
A" |
1000 |
972 |
0.972 |
174 |
689 |
|
|
13 |
A" |
971 |
954 |
0.983 |
174 |
690 |
|
|
14 |
A" |
694 |
683 |
0.985 |
174 |
691 |
|
|
15 |
A" |
339 |
362 |
1.068 |
174 |
692 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3685 |
3447 |
0.935 |
175 |
693 |
|
|
2 |
A' |
3328 |
3102 |
0.932 |
175 |
694 |
|
|
3 |
A' |
1550 |
1441 |
0.930 |
175 |
695 |
|
|
4 |
A' |
1503 |
1384 |
0.921 |
175 |
696 |
|
|
5 |
A' |
1344 |
1259 |
0.937 |
175 |
697 |
|
|
6 |
A' |
1299 |
1159 |
0.892 |
175 |
698 |
|
|
7 |
A' |
1174 |
1084 |
0.923 |
175 |
699 |
|
|
8 |
A' |
1088 |
1015 |
0.932 |
175 |
700 |
|
|
9 |
A' |
1073 |
1002 |
0.934 |
175 |
701 |
|
|
10 |
A' |
1021 |
969 |
0.949 |
175 |
702 |
|
|
11 |
A' |
980 |
925 |
0.944 |
175 |
703 |
|
|
12 |
A" |
866 |
906 |
1.047 |
175 |
704 |
|
|
13 |
A" |
738 |
663 |
0.899 |
175 |
705 |
|
|
14 |
A" |
691 |
658 |
0.952 |
175 |
706 |
|
|
15 |
A" |
554 |
578 |
1.043 |
175 |
707 |
CH3PH2 |
Methyl phosphine |
1 |
A' |
3171 |
3000 |
0.946 |
176 |
708 |
|
|
2 |
A' |
3080 |
2938 |
0.954 |
176 |
709 |
|
|
3 |
A' |
2415 |
2297 |
0.951 |
176 |
710 |
|
|
4 |
A' |
1526 |
1450 |
0.950 |
176 |
711 |
|
|
5 |
A' |
1403 |
1238 |
0.882 |
176 |
712 |
|
|
6 |
A' |
1130 |
1086 |
0.961 |
176 |
713 |
|
|
7 |
A' |
1035 |
977 |
0.944 |
176 |
714 |
|
|
8 |
A' |
762 |
740 |
0.971 |
176 |
715 |
|
|
9 |
A' |
705 |
677 |
0.960 |
176 |
716 |
|
|
10 |
A" |
3161 |
2992 |
0.946 |
176 |
717 |
|
|
11 |
A" |
2424 |
2312 |
0.954 |
176 |
718 |
|
|
12 |
A" |
1530 |
1450 |
0.948 |
176 |
719 |
|
|
13 |
A" |
1066 |
1017 |
0.954 |
176 |
720 |
|
|
15 |
A" |
237 |
207 |
0.872 |
176 |
721 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3187 |
3014 |
0.946 |
177 |
722 |
|
|
2 |
A' |
3068 |
2923 |
0.953 |
177 |
723 |
|
|
3 |
A' |
2962 |
2716 |
0.917 |
177 |
724 |
|
|
4 |
A' |
1830 |
1743 |
0.952 |
177 |
725 |
|
|
5 |
A' |
1516 |
1433 |
0.945 |
177 |
726 |
|
|
6 |
A' |
1463 |
1395 |
0.954 |
177 |
727 |
|
|
7 |
A' |
1434 |
1352 |
0.943 |
177 |
728 |
|
|
8 |
A' |
1161 |
1114 |
0.960 |
177 |
729 |
|
|
9 |
A' |
920 |
867 |
0.942 |
177 |
730 |
|
|
10 |
A' |
514 |
509 |
0.990 |
177 |
731 |
|
|
11 |
A" |
3136 |
2964 |
0.945 |
177 |
732 |
|
|
12 |
A" |
1521 |
1431 |
0.941 |
177 |
733 |
|
|
13 |
A" |
1164 |
1102 |
0.947 |
177 |
734 |
|
|
14 |
A" |
796 |
764 |
0.960 |
177 |
735 |
|
|
15 |
A" |
143 |
150 |
1.050 |
177 |
736 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3142 |
3006 |
0.957 |
178 |
737 |
|
|
2 |
A1 |
1591 |
1467 |
0.922 |
178 |
738 |
|
|
3 |
A1 |
1328 |
1267 |
0.954 |
178 |
739 |
|
|
4 |
A1 |
1191 |
1146 |
0.962 |
178 |
740 |
|
|
5 |
A1 |
920 |
857 |
0.931 |
178 |
741 |
|
|
6 |
A2 |
3215 |
3063 |
0.953 |
178 |
742 |
|
|
7 |
A2 |
1206 |
1050 |
0.871 |
178 |
743 |
|
|
8 |
A2 |
1062 |
1020 |
0.960 |
178 |
744 |
|
|
9 |
B1 |
3229 |
3065 |
0.949 |
178 |
745 |
|
|
10 |
B1 |
1186 |
1146 |
0.966 |
178 |
746 |
|
|
11 |
B1 |
836 |
797 |
0.953 |
178 |
747 |
|
|
12 |
B2 |
3133 |
3006 |
0.960 |
178 |
748 |
|
|
13 |
B2 |
1548 |
1459 |
0.943 |
178 |
749 |
|
|
14 |
B2 |
1169 |
1159 |
0.991 |
178 |
750 |
|
|
15 |
B2 |
877 |
824 |
0.940 |
178 |
751 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3211 |
3043 |
0.948 |
179 |
752 |
|
|
2 |
A' |
3096 |
2955 |
0.955 |
179 |
753 |
|
|
3 |
A' |
1945 |
1870 |
0.962 |
179 |
754 |
|
|
4 |
A' |
1523 |
1440 |
0.946 |
179 |
755 |
|
|
5 |
A' |
1458 |
1378 |
0.945 |
179 |
756 |
|
|
6 |
A' |
1271 |
1188 |
0.935 |
179 |
757 |
|
|
7 |
A' |
1046 |
1000 |
0.956 |
179 |
758 |
|
|
8 |
A' |
868 |
826 |
0.951 |
179 |
759 |
|
|
9 |
A' |
603 |
598 |
0.992 |
179 |
760 |
|
|
10 |
A' |
415 |
420 |
1.013 |
179 |
761 |
|
|
11 |
A" |
3170 |
3004 |
0.948 |
179 |
762 |
|
|
12 |
A" |
1523 |
1437 |
0.943 |
179 |
763 |
|
|
13 |
A" |
1102 |
1054 |
0.956 |
179 |
764 |
|
|
14 |
A" |
572 |
567 |
0.991 |
179 |
765 |
|
|
15 |
A" |
142 |
123 |
0.867 |
179 |
766 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
765 |
774 |
1.011 |
180 |
767 |
|
|
2 |
Eg |
680 |
642 |
0.943 |
180 |
768 |
|
|
3 |
T1u |
1015 |
948 |
0.933 |
180 |
769 |
|
|
4 |
T1u |
581 |
616 |
1.059 |
180 |
770 |
|
|
5 |
T2g |
494 |
525 |
1.063 |
180 |
771 |
|
|
6 |
T2u |
332 |
347 |
1.047 |
180 |
772 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3199 |
3027 |
0.946 |
181 |
773 |
|
|
2 |
A' |
3092 |
2948 |
0.953 |
181 |
774 |
|
|
3 |
A' |
1890 |
1818 |
0.962 |
181 |
775 |
|
|
4 |
A' |
1517 |
1415 |
0.933 |
181 |
776 |
|
|
5 |
A' |
1447 |
1368 |
0.945 |
181 |
777 |
|
|
6 |
A' |
1163 |
1108 |
0.952 |
181 |
778 |
|
|
7 |
A' |
1001 |
956 |
0.955 |
181 |
779 |
|
|
8 |
A' |
634 |
604 |
0.953 |
181 |
780 |
|
|
9 |
A' |
462 |
445 |
0.963 |
181 |
781 |
|
|
10 |
A' |
352 |
348 |
0.988 |
181 |
782 |
|
|
11 |
A" |
3173 |
2990 |
0.942 |
181 |
783 |
|
|
12 |
A" |
1517 |
1431 |
0.944 |
181 |
784 |
|
|
13 |
A" |
1082 |
1032 |
0.954 |
181 |
785 |
|
|
14 |
A" |
525 |
518 |
0.987 |
181 |
786 |
|
|
15 |
A" |
141 |
166 |
1.177 |
181 |
787 |
C2H6 |
Ethane |
1 |
A1g |
3067 |
2954 |
0.963 |
182 |
788 |
|
|
2 |
A1g |
1483 |
1388 |
0.936 |
182 |
789 |
|
|
3 |
A1g |
1039 |
995 |
0.958 |
182 |
790 |
|
|
4 |
A1u |
323 |
289 |
0.896 |
182 |
791 |
|
|
5 |
A2u |
3065 |
2896 |
0.945 |
182 |
792 |
|
|
6 |
A2u |
1456 |
1379 |
0.947 |
182 |
793 |
|
|
7 |
Eg |
3127 |
2969 |
0.949 |
182 |
794 |
|
|
8 |
Eg |
1551 |
1468 |
0.947 |
182 |
795 |
|
|
9 |
Eg |
1261 |
1190 |
0.944 |
182 |
796 |
|
|
10 |
Eu |
3148 |
2985 |
0.948 |
182 |
797 |
|
|
11 |
Eu |
1556 |
1469 |
0.944 |
182 |
798 |
|
|
12 |
Eu |
843 |
822 |
0.975 |
182 |
799 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3066 |
2898 |
0.945 |
183 |
800 |
|
|
2 |
A1 |
2254 |
2166 |
0.961 |
183 |
801 |
|
|
3 |
A1 |
1372 |
1260 |
0.919 |
183 |
802 |
|
|
4 |
A1 |
956 |
940 |
0.984 |
183 |
803 |
|
|
5 |
A1 |
708 |
700 |
0.988 |
183 |
804 |
|
|
6 |
A2 |
197 |
187 |
0.949 |
183 |
805 |
|
|
7 |
E |
3149 |
2982 |
0.947 |
183 |
806 |
|
|
8 |
E |
2259 |
2169 |
0.960 |
183 |
807 |
|
|
9 |
E |
1515 |
1403 |
0.926 |
183 |
808 |
|
|
10 |
E |
968 |
980 |
1.012 |
183 |
809 |
|
|
11 |
E |
925 |
868 |
0.938 |
183 |
810 |
|
|
12 |
E |
531 |
540 |
1.017 |
183 |
811 |
Si2H6 |
disilane |
1 |
A1g |
2249 |
2152 |
0.957 |
184 |
812 |
|
|
2 |
A1g |
941 |
909 |
0.966 |
184 |
813 |
|
|
3 |
A1g |
455 |
434 |
0.955 |
184 |
814 |
|
|
4 |
A1u |
135 |
131 |
0.973 |
184 |
815 |
|
|
5 |
A2u |
2239 |
2154 |
0.962 |
184 |
816 |
|
|
6 |
A2u |
867 |
844 |
0.973 |
184 |
817 |
|
|
7 |
Eg |
2253 |
2155 |
0.956 |
184 |
818 |
|
|
8 |
Eg |
943 |
929 |
0.985 |
184 |
819 |
|
|
9 |
Eg |
650 |
625 |
0.962 |
184 |
820 |
|
|
10 |
Eu |
2261 |
2179 |
0.964 |
184 |
821 |
|
|
11 |
Eu |
959 |
940 |
0.980 |
184 |
822 |
|
|
12 |
Eu |
381 |
379 |
0.994 |
184 |
823 |
C2H5N |
Aziridine |
1 |
A' |
3498 |
3338 |
0.954 |
185 |
824 |
|
|
2 |
A' |
3245 |
3079 |
0.949 |
185 |
825 |
|
|
3 |
A' |
3158 |
3015 |
0.955 |
185 |
826 |
|
|
4 |
A' |
1579 |
1482 |
0.939 |
185 |
827 |
|
|
5 |
A' |
1337 |
1237 |
0.925 |
185 |
828 |
|
|
6 |
A' |
1281 |
1211 |
0.945 |
185 |
829 |
|
|
7 |
A' |
1157 |
1090 |
0.942 |
185 |
830 |
|
|
8 |
A' |
1038 |
998 |
0.961 |
185 |
831 |
|
|
9 |
A' |
909 |
856 |
0.942 |
185 |
832 |
|
|
10 |
A' |
800 |
773 |
0.966 |
185 |
833 |
|
|
11 |
A" |
3233 |
3079 |
0.953 |
185 |
834 |
|
|
12 |
A" |
3150 |
3015 |
0.957 |
185 |
835 |
|
|
13 |
A" |
1542 |
1463 |
0.949 |
185 |
836 |
|
|
14 |
A" |
1312 |
1268 |
0.967 |
185 |
837 |
|
|
15 |
A" |
1186 |
1131 |
0.954 |
185 |
838 |
|
|
16 |
A" |
1141 |
1095 |
0.960 |
185 |
839 |
|
|
17 |
A" |
940 |
904 |
0.962 |
185 |
840 |
|
|
18 |
A" |
899 |
817 |
0.909 |
185 |
841 |
CH3COOH |
Acetic acid |
1 |
A' |
3710 |
3583 |
0.966 |
186 |
842 |
|
|
2 |
A' |
3208 |
3051 |
0.951 |
186 |
843 |
|
|
3 |
A' |
3093 |
2944 |
0.952 |
186 |
844 |
|
|
4 |
A' |
1877 |
1788 |
0.952 |
186 |
845 |
|
|
5 |
A' |
1525 |
1430 |
0.937 |
186 |
846 |
|
|
6 |
A' |
1468 |
1382 |
0.941 |
186 |
847 |
|
|
7 |
A' |
1395 |
1264 |
0.906 |
186 |
848 |
|
|
8 |
A' |
1256 |
1182 |
0.941 |
186 |
849 |
|
|
9 |
A' |
1035 |
989 |
0.955 |
186 |
850 |
|
|
10 |
A' |
886 |
847 |
0.956 |
186 |
851 |
|
|
11 |
A' |
589 |
657 |
1.116 |
186 |
852 |
|
|
12 |
A' |
425 |
|
|
186 |
853 |
|
|
13 |
A" |
3167 |
2996 |
0.946 |
186 |
854 |
|
|
14 |
A" |
1524 |
1430 |
0.938 |
186 |
855 |
|
|
15 |
A" |
1100 |
1048 |
0.952 |
186 |
856 |
|
|
16 |
A" |
687 |
642 |
0.934 |
186 |
857 |
|
|
17 |
A" |
552 |
534 |
0.967 |
186 |
858 |
|
|
18 |
A" |
93 |
93 |
1.002 |
186 |
859 |
CH3OCHO |
methyl formate |
1 |
A' |
3211 |
3045 |
0.948 |
187 |
860 |
|
|
2 |
A' |
3119 |
2969 |
0.952 |
187 |
861 |
|
|
3 |
A' |
3098 |
2943 |
0.950 |
187 |
862 |
|
|
4 |
A' |
1839 |
1754 |
0.954 |
187 |
863 |
|
|
5 |
A' |
1545 |
1454 |
0.941 |
187 |
864 |
|
|
6 |
A' |
1508 |
1445 |
0.958 |
187 |
865 |
|
|
7 |
A' |
1433 |
1371 |
0.957 |
187 |
866 |
|
|
8 |
A' |
1270 |
1207 |
0.950 |
187 |
867 |
|
|
9 |
A' |
1219 |
1166 |
0.956 |
187 |
868 |
|
|
10 |
A' |
969 |
925 |
0.955 |
187 |
869 |
|
|
11 |
A' |
784 |
767 |
0.978 |
187 |
870 |
|
|
12 |
A' |
315 |
318 |
1.011 |
187 |
871 |
|
|
13 |
A" |
3182 |
3012 |
0.947 |
187 |
872 |
|
|
14 |
A" |
1536 |
1443 |
0.939 |
187 |
873 |
|
|
15 |
A" |
1201 |
1168 |
0.972 |
187 |
874 |
|
|
16 |
A" |
1051 |
1032 |
0.982 |
187 |
875 |
|
|
17 |
A" |
343 |
332 |
0.968 |
187 |
876 |
|
|
18 |
A" |
155 |
130 |
0.838 |
187 |
877 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1507 |
1420 |
0.942 |
188 |
878 |
|
|
2 |
A1g |
817 |
809 |
0.990 |
188 |
879 |
|
|
3 |
A1g |
355 |
349 |
0.983 |
188 |
880 |
|
|
4 |
A1u |
66 |
68 |
1.033 |
188 |
881 |
|
|
5 |
A2u |
1156 |
1117 |
0.966 |
188 |
882 |
|
|
6 |
A2u |
709 |
714 |
1.007 |
188 |
883 |
|
|
7 |
Eg |
1315 |
1237 |
0.941 |
188 |
884 |
|
|
8 |
Eg |
624 |
620 |
0.994 |
188 |
885 |
|
|
9 |
Eg |
380 |
380 |
0.999 |
188 |
886 |
|
|
10 |
Eu |
1323 |
1251 |
0.945 |
188 |
887 |
|
|
11 |
Eu |
518 |
523 |
1.008 |
188 |
888 |
|
|
12 |
Eu |
215 |
216 |
1.006 |
188 |
889 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3152 |
2967 |
0.941 |
189 |
890 |
|
|
2 |
A' |
3123 |
2946 |
0.943 |
189 |
891 |
|
|
3 |
A' |
3075 |
2881 |
0.937 |
189 |
892 |
|
|
4 |
A' |
1550 |
1463 |
0.944 |
189 |
893 |
|
|
5 |
A' |
1542 |
1448 |
0.939 |
189 |
894 |
|
|
6 |
A' |
1468 |
1385 |
0.943 |
189 |
895 |
|
|
7 |
A' |
1379 |
1289 |
0.935 |
189 |
896 |
|
|
8 |
A' |
1124 |
1081 |
0.962 |
189 |
897 |
|
|
9 |
A' |
1023 |
974 |
0.952 |
189 |
898 |
|
|
10 |
A' |
705 |
677 |
0.960 |
189 |
899 |
|
|
11 |
A' |
341 |
336 |
0.984 |
189 |
900 |
|
|
12 |
A" |
3186 |
3014 |
0.946 |
189 |
901 |
|
|
13 |
A" |
3162 |
2986 |
0.944 |
189 |
902 |
|
|
14 |
A" |
1535 |
1448 |
0.943 |
189 |
903 |
|
|
15 |
A" |
1316 |
1251 |
0.951 |
189 |
904 |
|
|
16 |
A" |
1126 |
974 |
0.865 |
189 |
905 |
|
|
17 |
A" |
809 |
786 |
0.971 |
189 |
906 |
|
|
18 |
A" |
274 |
251 |
0.916 |
189 |
907 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3136 |
2957 |
0.943 |
190 |
908 |
|
|
1 |
A |
3180 |
3005 |
0.945 |
190 |
909 |
|
|
2 |
A |
3124 |
2957 |
0.946 |
190 |
910 |
|
|
2 |
Ag |
1542 |
1445 |
0.937 |
190 |
911 |
|
|
3 |
Ag |
1407 |
1304 |
0.927 |
190 |
912 |
|
|
3 |
A |
1527 |
1433 |
0.939 |
190 |
913 |
|
|
4 |
A |
1402 |
1315 |
0.938 |
190 |
914 |
|
|
4 |
Ag |
1102 |
1052 |
0.955 |
190 |
915 |
|
|
5 |
Ag |
815 |
754 |
0.925 |
190 |
916 |
|
|
5 |
A |
1278 |
1207 |
0.945 |
190 |
917 |
|
|
6 |
A |
1093 |
1027 |
0.940 |
190 |
918 |
|
|
6 |
Ag |
311 |
300 |
0.965 |
190 |
919 |
|
|
7 |
Au |
3212 |
3005 |
0.935 |
190 |
920 |
|
|
7 |
A |
1000 |
948 |
0.948 |
190 |
921 |
|
|
8 |
A |
696 |
669 |
0.961 |
190 |
922 |
|
|
8 |
Au |
1195 |
1123 |
0.940 |
190 |
923 |
|
|
9 |
Au |
798 |
773 |
0.968 |
190 |
924 |
|
|
9 |
A |
268 |
272 |
1.014 |
190 |
925 |
|
|
10 |
A |
121 |
125 |
1.037 |
190 |
926 |
|
|
10 |
Au |
126 |
123 |
0.977 |
190 |
927 |
|
|
11 |
Bg |
3193 |
3005 |
0.941 |
190 |
928 |
|
|
11 |
B |
3191 |
3005 |
0.942 |
190 |
929 |
|
|
12 |
B |
3116 |
2957 |
0.949 |
190 |
930 |
|
|
12 |
Bg |
1338 |
1264 |
0.945 |
190 |
931 |
|
|
13 |
Bg |
1060 |
989 |
0.933 |
190 |
932 |
|
|
13 |
B |
1523 |
1436 |
0.943 |
190 |
933 |
|
|
14 |
B |
1381 |
1292 |
0.935 |
190 |
934 |
|
|
14 |
Bu |
3142 |
2983 |
0.949 |
190 |
935 |
|
|
15 |
Bu |
1542 |
1461 |
0.947 |
190 |
936 |
|
|
15 |
B |
1210 |
1146 |
0.947 |
190 |
937 |
|
|
16 |
B |
936 |
890 |
0.951 |
190 |
938 |
|
|
16 |
Bu |
1313 |
1232 |
0.938 |
190 |
939 |
|
|
17 |
Bu |
767 |
728 |
0.949 |
190 |
940 |
|
|
17 |
B |
725 |
693 |
0.956 |
190 |
941 |
|
|
18 |
B |
423 |
410 |
0.970 |
190 |
942 |
|
|
18 |
Bu |
223 |
222 |
0.995 |
190 |
943 |
C3H6 |
Cyclopropane |
1 |
A1' |
3179 |
3038 |
0.956 |
191 |
944 |
|
|
2 |
A1' |
1578 |
1479 |
0.937 |
191 |
945 |
|
|
3 |
A1' |
1252 |
1188 |
0.949 |
191 |
946 |
|
|
4 |
A1" |
1189 |
1126 |
0.947 |
191 |
947 |
|
|
5 |
A2' |
1122 |
1070 |
0.954 |
191 |
948 |
|
|
6 |
A2" |
3263 |
3103 |
0.951 |
191 |
949 |
|
|
7 |
A2" |
879 |
854 |
0.971 |
191 |
950 |
|
|
8 |
E' |
3168 |
3025 |
0.955 |
191 |
951 |
|
|
9 |
E' |
1521 |
1438 |
0.946 |
191 |
952 |
|
|
10 |
E' |
1112 |
1029 |
0.926 |
191 |
953 |
|
|
11 |
E' |
922 |
866 |
0.939 |
191 |
954 |
|
|
12 |
E" |
3245 |
3082 |
0.950 |
191 |
955 |
|
|
13 |
E" |
1248 |
1188 |
0.952 |
191 |
956 |
|
|
14 |
E" |
766 |
739 |
0.964 |
191 |
957 |
CH2CHCH3 |
Propene |
1 |
A' |
3254 |
3090 |
0.949 |
192 |
958 |
|
|
2 |
A' |
3176 |
3013 |
0.949 |
192 |
959 |
|
|
3 |
A' |
3164 |
2991 |
0.945 |
192 |
960 |
|
|
4 |
A' |
3140 |
2954 |
0.941 |
192 |
961 |
|
|
5 |
A' |
3056 |
2871 |
0.939 |
192 |
962 |
|
|
6 |
A' |
1746 |
1650 |
0.945 |
192 |
963 |
|
|
7 |
A' |
1546 |
1470 |
0.951 |
192 |
964 |
|
|
8 |
A' |
1494 |
1420 |
0.951 |
192 |
965 |
|
|
9 |
A' |
1458 |
1378 |
0.945 |
192 |
966 |
|
|
10 |
A' |
1352 |
1297 |
0.960 |
192 |
967 |
|
|
11 |
A' |
1222 |
1171 |
0.959 |
192 |
968 |
|
|
12 |
A' |
970 |
963 |
0.992 |
192 |
969 |
|
|
13 |
A' |
950 |
920 |
0.968 |
192 |
970 |
|
|
14 |
A' |
431 |
428 |
0.994 |
192 |
971 |
|
|
15 |
A" |
3118 |
2954 |
0.948 |
192 |
972 |
|
|
16 |
A" |
1531 |
1443 |
0.943 |
192 |
973 |
|
|
17 |
A" |
1099 |
1045 |
0.951 |
192 |
974 |
|
|
18 |
A" |
1025 |
991 |
0.967 |
192 |
975 |
|
|
19 |
A" |
926 |
912 |
0.985 |
192 |
976 |
|
|
20 |
A" |
589 |
578 |
0.982 |
192 |
977 |
|
|
21 |
A" |
194 |
174 |
0.896 |
192 |
978 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3695 |
3523 |
0.953 |
193 |
979 |
|
|
2 |
A' |
3305 |
3155 |
0.955 |
193 |
980 |
|
|
3 |
A' |
3286 |
3137 |
0.955 |
193 |
981 |
|
|
4 |
A' |
3274 |
3126 |
0.955 |
193 |
982 |
|
|
5 |
A' |
1615 |
1531 |
0.948 |
193 |
983 |
|
|
6 |
A' |
1531 |
1447 |
0.945 |
193 |
984 |
|
|
7 |
A' |
1469 |
1395 |
0.950 |
193 |
985 |
|
|
8 |
A' |
1424 |
1358 |
0.954 |
193 |
986 |
|
|
9 |
A' |
1314 |
1254 |
0.954 |
193 |
987 |
|
|
10 |
A' |
1206 |
1159 |
0.961 |
193 |
988 |
|
|
11 |
A' |
1171 |
1121 |
0.957 |
193 |
989 |
|
|
12 |
A' |
1084 |
1054 |
0.972 |
193 |
990 |
|
|
13 |
A' |
1073 |
1009 |
0.940 |
193 |
991 |
|
|
14 |
A' |
949 |
924 |
0.974 |
193 |
992 |
|
|
15 |
A' |
930 |
908 |
0.976 |
193 |
993 |
|
|
16 |
A" |
868 |
879 |
1.012 |
193 |
994 |
|
|
17 |
A" |
817 |
833 |
1.019 |
193 |
995 |
|
|
18 |
A" |
755 |
745 |
0.987 |
193 |
996 |
|
|
19 |
A" |
692 |
674 |
0.973 |
193 |
997 |
|
|
20 |
A" |
627 |
623 |
0.994 |
193 |
998 |
|
|
21 |
A" |
485 |
516 |
1.064 |
193 |
999 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3684 |
3517 |
0.955 |
194 |
1000 |
|
|
2 |
A' |
3309 |
3143 |
0.950 |
194 |
1001 |
|
|
3 |
A' |
3283 |
3123 |
0.951 |
194 |
1002 |
|
|
4 |
A' |
3280 |
3110 |
0.948 |
194 |
1003 |
|
|
5 |
A' |
1607 |
1448 |
0.901 |
194 |
1004 |
|
|
6 |
A' |
1555 |
1404 |
0.903 |
194 |
1005 |
|
|
7 |
A' |
1489 |
1328 |
0.892 |
194 |
1006 |
|
|
8 |
A' |
1407 |
1265 |
0.899 |
194 |
1007 |
|
|
9 |
A' |
1311 |
1188 |
0.906 |
194 |
1008 |
|
|
10 |
A' |
1182 |
1098 |
0.929 |
194 |
1009 |
|
|
11 |
A' |
1175 |
1062 |
0.904 |
194 |
1010 |
|
|
12 |
A' |
1128 |
1013 |
0.898 |
194 |
1011 |
|
|
13 |
A' |
1101 |
988 |
0.898 |
194 |
1012 |
|
|
14 |
A' |
951 |
923 |
0.970 |
194 |
1013 |
|
|
15 |
A' |
914 |
898 |
0.982 |
194 |
1014 |
|
|
16 |
A" |
839 |
831 |
0.990 |
194 |
1015 |
|
|
17 |
A" |
820 |
758 |
0.925 |
194 |
1016 |
|
|
18 |
A" |
716 |
674 |
0.941 |
194 |
1017 |
|
|
19 |
A" |
680 |
663 |
0.975 |
194 |
1018 |
|
|
20 |
A" |
636 |
621 |
0.976 |
194 |
1019 |
|
|
21 |
A" |
477 |
539 |
1.131 |
194 |
1020 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3164 |
2996 |
0.947 |
195 |
1021 |
|
|
2 |
A1 |
3021 |
2817 |
0.933 |
195 |
1022 |
|
|
3 |
A1 |
1567 |
1464 |
0.934 |
195 |
1023 |
|
|
4 |
A1 |
1534 |
1452 |
0.946 |
195 |
1024 |
|
|
5 |
A1 |
1297 |
1244 |
0.959 |
195 |
1025 |
|
|
6 |
A1 |
973 |
928 |
0.954 |
195 |
1026 |
|
|
7 |
A1 |
429 |
418 |
0.974 |
195 |
1027 |
|
|
8 |
A2 |
3069 |
2952 |
0.962 |
195 |
1028 |
|
|
9 |
A2 |
1532 |
1464 |
0.956 |
195 |
1029 |
|
|
10 |
A2 |
1185 |
1150 |
0.970 |
195 |
1030 |
|
|
11 |
A2 |
217 |
203 |
0.937 |
195 |
1031 |
|
|
12 |
B1 |
3066 |
2925 |
0.954 |
195 |
1032 |
|
|
13 |
B1 |
1542 |
1464 |
0.949 |
195 |
1033 |
|
|
14 |
B1 |
1223 |
1179 |
0.964 |
195 |
1034 |
|
|
15 |
B1 |
265 |
242 |
0.914 |
195 |
1035 |
|
|
16 |
B2 |
3162 |
2996 |
0.947 |
195 |
1036 |
|
|
17 |
B2 |
3009 |
2817 |
0.936 |
195 |
1037 |
|
|
18 |
B2 |
1550 |
1464 |
0.944 |
195 |
1038 |
|
|
19 |
B2 |
1500 |
1452 |
0.968 |
195 |
1039 |
|
|
20 |
B2 |
1237 |
1227 |
0.992 |
195 |
1040 |
|
|
21 |
B2 |
1147 |
1102 |
0.961 |
195 |
1041 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3128 |
3001 |
0.959 |
196 |
1042 |
|
|
2 |
A' |
3120 |
2935 |
0.941 |
196 |
1043 |
|
|
3 |
A' |
1955 |
1882 |
0.963 |
196 |
1044 |
|
|
4 |
A' |
1575 |
1475 |
0.937 |
196 |
1045 |
|
|
5 |
A' |
1512 |
1427 |
0.944 |
196 |
1046 |
|
|
6 |
A' |
1381 |
1319 |
0.955 |
196 |
1047 |
|
|
7 |
A' |
1268 |
1199 |
0.945 |
196 |
1048 |
|
|
8 |
A' |
1153 |
1093 |
0.948 |
196 |
1049 |
|
|
9 |
A' |
1043 |
1005 |
0.963 |
196 |
1050 |
|
|
10 |
A' |
979 |
924 |
0.943 |
196 |
1051 |
|
|
11 |
A' |
921 |
891 |
0.968 |
196 |
1052 |
|
|
12 |
A' |
762 |
746 |
0.979 |
196 |
1053 |
|
|
13 |
A' |
499 |
513 |
1.029 |
196 |
1054 |
|
|
14 |
A" |
3191 |
3028 |
0.949 |
196 |
1055 |
|
|
15 |
A" |
3177 |
3000 |
0.944 |
196 |
1056 |
|
|
16 |
A" |
1230 |
1184 |
0.963 |
196 |
1057 |
|
|
17 |
A" |
1179 |
1139 |
0.966 |
196 |
1058 |
|
|
18 |
A" |
1090 |
1046 |
0.959 |
196 |
1059 |
|
|
19 |
A" |
824 |
790 |
0.959 |
196 |
1060 |
|
|
20 |
A" |
522 |
490 |
0.938 |
196 |
1061 |
|
|
21 |
A" |
177 |
113 |
0.640 |
196 |
1062 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3150 |
2966 |
0.942 |
197 |
1063 |
|
|
1 |
A |
3162 |
2980 |
0.943 |
197 |
1064 |
|
|
2 |
A |
3143 |
2967 |
0.944 |
197 |
1065 |
|
|
2 |
A' |
3096 |
2872 |
0.928 |
197 |
1066 |
|
|
3 |
A' |
3073 |
2872 |
0.935 |
197 |
1067 |
|
|
3 |
A |
3134 |
2930 |
0.935 |
197 |
1068 |
|
|
4 |
A |
3096 |
2902 |
0.937 |
197 |
1069 |
|
|
4 |
A' |
2714 |
2580 |
0.951 |
197 |
1070 |
|
|
5 |
A' |
1554 |
1453 |
0.935 |
197 |
1071 |
|
|
5 |
A |
3066 |
2875 |
0.938 |
197 |
1072 |
|
|
6 |
A |
2708 |
2591 |
0.957 |
197 |
1073 |
|
|
6 |
A' |
1545 |
1453 |
0.940 |
197 |
1074 |
|
|
7 |
A' |
1469 |
1385 |
0.943 |
197 |
1075 |
|
|
7 |
A |
1549 |
1462 |
0.944 |
197 |
1076 |
|
|
8 |
A |
1542 |
1452 |
0.942 |
197 |
1077 |
|
|
8 |
A' |
1366 |
1309 |
0.959 |
197 |
1078 |
|
|
9 |
A' |
1150 |
1097 |
0.954 |
197 |
1079 |
|
|
9 |
A |
1532 |
1437 |
0.938 |
197 |
1080 |
|
|
10 |
A |
1467 |
1377 |
0.939 |
197 |
1081 |
|
|
10 |
A' |
1031 |
978 |
0.948 |
197 |
1082 |
|
|
11 |
A' |
896 |
870 |
0.971 |
197 |
1083 |
|
|
11 |
A |
1370 |
1269 |
0.926 |
197 |
1084 |
|
|
12 |
A |
1322 |
1246 |
0.943 |
197 |
1085 |
|
|
12 |
A' |
705 |
660 |
0.936 |
197 |
1086 |
|
|
13 |
A' |
313 |
332 |
1.059 |
197 |
1087 |
|
|
13 |
A |
1167 |
1093 |
0.937 |
197 |
1088 |
|
|
14 |
A |
1106 |
1051 |
0.951 |
197 |
1089 |
|
|
14 |
A" |
3161 |
2966 |
0.938 |
197 |
1090 |
|
|
15 |
A" |
3140 |
2930 |
0.933 |
197 |
1091 |
|
|
15 |
A |
1024 |
970 |
0.947 |
197 |
1092 |
|
|
16 |
A |
903 |
867 |
0.960 |
197 |
1093 |
|
|
16 |
A" |
1543 |
1453 |
0.942 |
197 |
1094 |
|
|
17 |
A" |
1311 |
1269 |
0.968 |
197 |
1095 |
|
|
17 |
A |
763 |
735 |
0.963 |
197 |
1096 |
|
|
18 |
A |
693 |
658 |
0.949 |
197 |
1097 |
|
|
18 |
A" |
1093 |
1049 |
0.959 |
197 |
1098 |
|
|
19 |
A" |
814 |
745 |
0.915 |
197 |
1099 |
|
|
19 |
A |
339 |
319 |
0.941 |
197 |
1100 |
|
|
20 |
A |
273 |
|
|
197 |
1101 |
|
|
21 |
A |
223 |
|
|
197 |
1102 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3172 |
2997 |
0.945 |
198 |
1103 |
|
|
2 |
A1 |
3072 |
2925 |
0.952 |
198 |
1104 |
|
|
3 |
A1 |
1539 |
1447 |
0.940 |
198 |
1105 |
|
|
4 |
A1 |
1442 |
1337 |
0.927 |
198 |
1106 |
|
|
5 |
A1 |
1097 |
1030 |
0.939 |
198 |
1107 |
|
|
6 |
A1 |
728 |
695 |
0.955 |
198 |
1108 |
|
|
7 |
A1 |
279 |
280 |
1.002 |
198 |
1109 |
|
|
8 |
A2 |
3157 |
2970 |
0.941 |
198 |
1110 |
|
|
9 |
A2 |
1512 |
1427 |
0.944 |
198 |
1111 |
|
|
10 |
A2 |
1002 |
946 |
0.944 |
198 |
1112 |
|
|
11 |
A2 |
184 |
175 |
0.953 |
198 |
1113 |
|
|
12 |
B1 |
3151 |
2970 |
0.942 |
198 |
1114 |
|
|
13 |
B1 |
1523 |
1439 |
0.945 |
198 |
1115 |
|
|
14 |
B1 |
1038 |
973 |
0.937 |
198 |
1116 |
|
|
15 |
B1 |
191 |
183 |
0.960 |
198 |
1117 |
|
|
16 |
B2 |
3173 |
2999 |
0.945 |
198 |
1118 |
|
|
17 |
B2 |
3074 |
2919 |
0.950 |
198 |
1119 |
|
|
18 |
B2 |
1530 |
1442 |
0.942 |
198 |
1120 |
|
|
19 |
B2 |
1417 |
1315 |
0.928 |
198 |
1121 |
|
|
20 |
B2 |
958 |
903 |
0.942 |
198 |
1122 |
|
|
21 |
B2 |
784 |
742 |
0.947 |
198 |
1123 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3260 |
3087 |
0.947 |
199 |
1124 |
|
|
2 |
Ag |
3179 |
3003 |
0.945 |
199 |
1125 |
|
|
3 |
Ag |
3163 |
2992 |
0.946 |
199 |
1126 |
|
|
4 |
Ag |
1755 |
1630 |
0.929 |
199 |
1127 |
|
|
5 |
Ag |
1511 |
1438 |
0.952 |
199 |
1128 |
|
|
6 |
Ag |
1340 |
1280 |
0.955 |
199 |
1129 |
|
|
7 |
Ag |
1256 |
1196 |
0.952 |
199 |
1130 |
|
|
8 |
Ag |
914 |
894 |
0.978 |
199 |
1131 |
|
|
9 |
Ag |
520 |
512 |
0.985 |
199 |
1132 |
|
|
10 |
Au |
1043 |
1013 |
0.972 |
199 |
1133 |
|
|
11 |
Au |
922 |
908 |
0.985 |
199 |
1134 |
|
|
12 |
Au |
531 |
522 |
0.984 |
199 |
1135 |
|
|
13 |
Au |
155 |
162 |
1.044 |
199 |
1136 |
|
|
14 |
Bg |
993 |
976 |
0.983 |
199 |
1137 |
|
|
15 |
Bg |
923 |
912 |
0.988 |
199 |
1138 |
|
|
16 |
Bg |
767 |
770 |
1.004 |
199 |
1139 |
|
|
17 |
Bu |
3261 |
3101 |
0.951 |
199 |
1140 |
|
|
18 |
Bu |
3179 |
3055 |
0.961 |
199 |
1141 |
|
|
19 |
Bu |
3170 |
2984 |
0.941 |
199 |
1142 |
|
|
20 |
Bu |
1684 |
1596 |
0.948 |
199 |
1143 |
|
|
21 |
Bu |
1446 |
1381 |
0.955 |
199 |
1144 |
|
|
22 |
Bu |
1347 |
1294 |
0.960 |
199 |
1145 |
|
|
23 |
Bu |
1023 |
990 |
0.968 |
199 |
1146 |
|
|
24 |
Bu |
299 |
301 |
1.007 |
199 |
1147 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3066 |
2916 |
0.951 |
200 |
1148 |
|
|
2 |
A1' |
2378 |
2240 |
0.942 |
200 |
1149 |
|
|
3 |
A1' |
1468 |
1380 |
0.940 |
200 |
1150 |
|
|
4 |
A1' |
732 |
725 |
0.991 |
200 |
1151 |
|
|
6 |
A2" |
3066 |
2938 |
0.958 |
200 |
1152 |
|
|
7 |
A2" |
1463 |
1382 |
0.945 |
200 |
1153 |
|
|
8 |
A2" |
1191 |
1152 |
0.967 |
200 |
1154 |
|
|
9 |
E' |
3139 |
2973 |
0.947 |
200 |
1155 |
|
|
10 |
E' |
1534 |
1456 |
0.949 |
200 |
1156 |
|
|
11 |
E' |
1088 |
1054 |
0.968 |
200 |
1157 |
|
|
12 |
E' |
197 |
213 |
1.081 |
200 |
1158 |
|
|
13 |
E" |
3139 |
2966 |
0.945 |
200 |
1159 |
|
|
14 |
E" |
1534 |
1448 |
0.944 |
200 |
1160 |
|
|
15 |
E" |
1052 |
1029 |
0.978 |
200 |
1161 |
|
|
16 |
E" |
237 |
371 |
1.566 |
200 |
1162 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3170 |
3061 |
0.966 |
201 |
1163 |
|
|
2 |
A' |
3167 |
3010 |
0.950 |
201 |
1164 |
|
|
3 |
A' |
3154 |
2965 |
0.940 |
201 |
1165 |
|
|
4 |
A' |
3062 |
2905 |
0.949 |
201 |
1166 |
|
|
5 |
A' |
2079 |
1970 |
0.948 |
201 |
1167 |
|
|
6 |
A' |
1551 |
1453 |
0.937 |
201 |
1168 |
|
|
7 |
A' |
1519 |
1437 |
0.946 |
201 |
1169 |
|
|
8 |
A' |
1463 |
1389 |
0.949 |
201 |
1170 |
|
|
9 |
A' |
1405 |
1330 |
0.946 |
201 |
1171 |
|
|
10 |
A' |
1175 |
1132 |
0.963 |
201 |
1172 |
|
|
11 |
A' |
1124 |
1074 |
0.956 |
201 |
1173 |
|
|
12 |
A' |
901 |
876 |
0.973 |
201 |
1174 |
|
|
13 |
A' |
882 |
859 |
0.974 |
201 |
1175 |
|
|
14 |
A' |
567 |
555 |
0.978 |
201 |
1176 |
|
|
15 |
A' |
209 |
210 |
1.007 |
201 |
1177 |
|
|
16 |
A" |
3242 |
3061 |
0.944 |
201 |
1178 |
|
|
17 |
A" |
3124 |
2965 |
0.949 |
201 |
1179 |
|
|
18 |
A" |
1534 |
1453 |
0.947 |
201 |
1180 |
|
|
19 |
A" |
1094 |
1110 |
1.015 |
201 |
1181 |
|
|
20 |
A" |
1052 |
1011 |
0.961 |
201 |
1182 |
|
|
21 |
A" |
904 |
842 |
0.932 |
201 |
1183 |
|
|
22 |
A" |
540 |
523 |
0.968 |
201 |
1184 |
|
|
23 |
A" |
332 |
322 |
0.971 |
201 |
1185 |
C4H6 |
Cyclobutene |
1 |
A1 |
3239 |
3060 |
0.945 |
202 |
1186 |
|
|
2 |
A1 |
3078 |
2935 |
0.953 |
202 |
1187 |
|
|
3 |
A1 |
1661 |
1570 |
0.945 |
202 |
1188 |
|
|
4 |
A1 |
1548 |
1450 |
0.936 |
202 |
1189 |
|
|
5 |
A1 |
1266 |
1276 |
1.008 |
202 |
1190 |
|
|
6 |
A1 |
1163 |
1186 |
1.020 |
202 |
1191 |
|
|
7 |
A1 |
1030 |
1113 |
1.081 |
202 |
1192 |
|
|
8 |
A1 |
924 |
886 |
0.959 |
202 |
1193 |
|
|
9 |
A2 |
3114 |
2955 |
0.949 |
202 |
1194 |
|
|
10 |
A2 |
1203 |
1276 |
1.060 |
202 |
1195 |
|
|
11 |
A2 |
1065 |
1081 |
1.015 |
202 |
1196 |
|
|
12 |
A2 |
906 |
850 |
0.938 |
202 |
1197 |
|
|
13 |
A2 |
308 |
325 |
1.054 |
202 |
1198 |
|
|
14 |
B1 |
3128 |
2955 |
0.945 |
202 |
1199 |
|
|
15 |
B1 |
1127 |
1074 |
0.953 |
202 |
1200 |
|
|
16 |
B1 |
892 |
846 |
0.948 |
202 |
1201 |
|
|
17 |
B1 |
660 |
635 |
0.962 |
202 |
1202 |
|
|
18 |
B2 |
3208 |
3047 |
0.950 |
202 |
1203 |
|
|
19 |
B2 |
3072 |
2916 |
0.949 |
202 |
1204 |
|
|
20 |
B2 |
1526 |
1427 |
0.935 |
202 |
1205 |
|
|
21 |
B2 |
1358 |
1294 |
0.953 |
202 |
1206 |
|
|
22 |
B2 |
1268 |
1214 |
0.957 |
202 |
1207 |
|
|
23 |
B2 |
929 |
888 |
0.956 |
202 |
1208 |
|
|
24 |
B2 |
870 |
740 |
0.851 |
202 |
1209 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3167 |
3010 |
0.950 |
203 |
1210 |
|
|
2 |
A1 |
3153 |
3002 |
0.952 |
203 |
1211 |
|
|
3 |
A1 |
1874 |
1743 |
0.930 |
203 |
1212 |
|
|
4 |
A1 |
1534 |
1437 |
0.937 |
203 |
1213 |
|
|
5 |
A1 |
1485 |
1410 |
0.950 |
203 |
1214 |
|
|
6 |
A1 |
1098 |
1036 |
0.943 |
203 |
1215 |
|
|
7 |
A1 |
1081 |
1002 |
0.927 |
203 |
1216 |
|
|
8 |
A1 |
762 |
723 |
0.949 |
203 |
1217 |
|
|
9 |
A2 |
3224 |
3051 |
0.946 |
203 |
1218 |
|
|
10 |
A2 |
1202 |
1144 |
0.952 |
203 |
1219 |
|
|
11 |
A2 |
980 |
937 |
0.956 |
203 |
1220 |
|
|
12 |
A2 |
633 |
616 |
0.974 |
203 |
1221 |
|
|
13 |
B1 |
3236 |
3071 |
0.949 |
203 |
1222 |
|
|
14 |
B1 |
1129 |
1072 |
0.950 |
203 |
1223 |
|
|
15 |
B1 |
908 |
889 |
0.979 |
203 |
1224 |
|
|
16 |
B1 |
782 |
748 |
0.957 |
203 |
1225 |
|
|
17 |
B1 |
284 |
360 |
1.265 |
203 |
1226 |
|
|
18 |
B2 |
3248 |
3086 |
0.950 |
203 |
1227 |
|
|
19 |
B2 |
3150 |
2999 |
0.952 |
203 |
1228 |
|
|
20 |
B2 |
1499 |
1353 |
0.903 |
203 |
1229 |
|
|
21 |
B2 |
1178 |
1174 |
0.996 |
203 |
1230 |
|
|
22 |
B2 |
1112 |
1125 |
1.012 |
203 |
1231 |
|
|
23 |
B2 |
932 |
792 |
0.850 |
203 |
1232 |
|
|
24 |
B2 |
359 |
290 |
0.807 |
203 |
1233 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3465 |
3345 |
0.965 |
204 |
1234 |
|
|
2 |
A' |
3131 |
2985 |
0.953 |
204 |
1235 |
|
|
3 |
A' |
3070 |
2840 |
0.925 |
204 |
1236 |
|
|
4 |
A' |
3052 |
2860 |
0.937 |
204 |
1237 |
|
|
5 |
A' |
1728 |
1622 |
0.939 |
204 |
1238 |
|
|
6 |
A' |
1557 |
1487 |
0.955 |
204 |
1239 |
|
|
7 |
A' |
1540 |
1465 |
0.952 |
204 |
1240 |
|
|
8 |
A' |
1462 |
1378 |
0.942 |
204 |
1241 |
|
|
9 |
A' |
1420 |
1397 |
0.984 |
204 |
1242 |
|
|
10 |
A' |
1196 |
1016 |
0.850 |
204 |
1243 |
|
|
11 |
A' |
1108 |
1086 |
0.980 |
204 |
1244 |
|
|
12 |
A' |
951 |
892 |
0.938 |
204 |
1245 |
|
|
13 |
A' |
904 |
773 |
0.855 |
204 |
1246 |
|
|
14 |
A' |
411 |
403 |
0.980 |
204 |
1247 |
|
|
15 |
A" |
3552 |
3412 |
0.961 |
204 |
1248 |
|
|
16 |
A" |
3132 |
2924 |
0.934 |
204 |
1249 |
|
|
17 |
A" |
3105 |
2906 |
0.936 |
204 |
1250 |
|
|
18 |
A" |
1545 |
1455 |
0.942 |
204 |
1251 |
|
|
19 |
A" |
1424 |
1238 |
0.869 |
204 |
1252 |
|
|
20 |
A" |
1311 |
1293 |
0.986 |
204 |
1253 |
|
|
21 |
A" |
1032 |
1117 |
1.082 |
204 |
1254 |
|
|
22 |
A" |
794 |
816 |
1.027 |
204 |
1255 |
|
|
23 |
A" |
318 |
259 |
0.815 |
204 |
1256 |
|
|
24 |
A" |
268 |
218 |
0.813 |
204 |
1257 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3222 |
3055 |
0.948 |
205 |
1258 |
|
|
2 |
Ag |
1674 |
1580 |
0.944 |
205 |
1259 |
|
|
3 |
Ag |
1282 |
1233 |
0.962 |
205 |
1260 |
|
|
4 |
Ag |
1055 |
1016 |
0.963 |
205 |
1261 |
|
|
5 |
Ag |
612 |
602 |
0.983 |
205 |
1262 |
|
|
6 |
Au |
977 |
960 |
0.982 |
205 |
1263 |
|
|
7 |
Au |
353 |
350 |
0.991 |
205 |
1264 |
|
|
8 |
B1g |
948 |
927 |
0.978 |
205 |
1265 |
|
|
9 |
B1u |
3202 |
3012 |
0.941 |
205 |
1266 |
|
|
10 |
B1u |
1549 |
1483 |
0.958 |
205 |
1267 |
|
|
11 |
B1u |
1182 |
1130 |
0.956 |
205 |
1268 |
|
|
12 |
B1u |
1047 |
1018 |
0.973 |
205 |
1269 |
|
|
13 |
B2g |
959 |
983 |
1.025 |
205 |
1270 |
|
|
14 |
B2g |
754 |
756 |
1.003 |
205 |
1271 |
|
|
15 |
B2u |
3217 |
3069 |
0.954 |
205 |
1272 |
|
|
16 |
B2u |
1472 |
1411 |
0.959 |
205 |
1273 |
|
|
17 |
B2u |
1151 |
1149 |
0.998 |
205 |
1274 |
|
|
18 |
B2u |
1117 |
1063 |
0.952 |
205 |
1275 |
|
|
19 |
B3g |
3201 |
3040 |
0.950 |
205 |
1276 |
|
|
20 |
B3g |
1619 |
1525 |
0.942 |
205 |
1277 |
|
|
21 |
B3g |
1398 |
1346 |
0.963 |
205 |
1278 |
|
|
22 |
B3g |
722 |
704 |
0.974 |
205 |
1279 |
|
|
23 |
B3u |
807 |
785 |
0.972 |
205 |
1280 |
|
|
24 |
B3u |
429 |
418 |
0.973 |
205 |
1281 |
CH3COCH3 |
Acetone |
1 |
A1 |
3188 |
3019 |
0.947 |
206 |
1282 |
|
|
2 |
A1 |
3072 |
2937 |
0.956 |
206 |
1283 |
|
|
3 |
A1 |
1826 |
1731 |
0.948 |
206 |
1284 |
|
|
4 |
A1 |
1523 |
1435 |
0.942 |
206 |
1285 |
|
|
5 |
A1 |
1441 |
1364 |
0.947 |
206 |
1286 |
|
|
6 |
A1 |
1112 |
1066 |
0.959 |
206 |
1287 |
|
|
7 |
A1 |
811 |
777 |
0.958 |
206 |
1288 |
|
|
8 |
A1 |
383 |
385 |
1.006 |
206 |
1289 |
|
|
9 |
A2 |
3133 |
2963 |
0.946 |
206 |
1290 |
|
|
10 |
A2 |
1516 |
1426 |
0.940 |
206 |
1291 |
|
|
11 |
A2 |
922 |
877 |
0.952 |
206 |
1292 |
|
|
12 |
A2 |
61 |
77 |
1.253 |
206 |
1293 |
|
|
13 |
B1 |
3139 |
2972 |
0.947 |
206 |
1294 |
|
|
14 |
B1 |
1536 |
1454 |
0.947 |
206 |
1295 |
|
|
15 |
B1 |
1153 |
1091 |
0.946 |
206 |
1296 |
|
|
16 |
B1 |
492 |
484 |
0.984 |
206 |
1297 |
|
|
17 |
B1 |
138 |
125 |
0.905 |
206 |
1298 |
|
|
18 |
B2 |
3187 |
3019 |
0.947 |
206 |
1299 |
|
|
19 |
B2 |
3066 |
2937 |
0.958 |
206 |
1300 |
|
|
20 |
B2 |
1517 |
1410 |
0.929 |
206 |
1301 |
|
|
21 |
B2 |
1447 |
1364 |
0.943 |
206 |
1302 |
|
|
22 |
B2 |
1284 |
1216 |
0.947 |
206 |
1303 |
|
|
23 |
B2 |
926 |
891 |
0.962 |
206 |
1304 |
|
|
24 |
B2 |
539 |
530 |
0.983 |
206 |
1305 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3766 |
3675 |
0.976 |
207 |
1306 |
|
|
2 |
A |
3257 |
3102 |
0.952 |
207 |
1307 |
|
|
3 |
A |
3193 |
3022 |
0.946 |
207 |
1308 |
|
|
4 |
A |
3172 |
2995 |
0.944 |
207 |
1309 |
|
|
5 |
A |
3049 |
2934 |
0.962 |
207 |
1310 |
|
|
6 |
A |
3009 |
2866 |
0.952 |
207 |
1311 |
|
|
7 |
A |
1749 |
1654 |
0.946 |
207 |
1312 |
|
|
8 |
A |
1571 |
1453 |
0.925 |
207 |
1313 |
|
|
9 |
A |
1514 |
1414 |
0.934 |
207 |
1314 |
|
|
10 |
A |
1461 |
1384 |
0.947 |
207 |
1315 |
|
|
11 |
A |
1337 |
1320 |
0.987 |
207 |
1316 |
|
|
12 |
A |
1302 |
1293 |
0.993 |
207 |
1317 |
|
|
13 |
A |
1270 |
1191 |
0.938 |
207 |
1318 |
|
|
14 |
A |
1189 |
1132 |
0.952 |
207 |
1319 |
|
|
15 |
A |
1102 |
1110 |
1.007 |
207 |
1320 |
|
|
16 |
A |
1026 |
1038 |
1.011 |
207 |
1321 |
|
|
17 |
A |
998 |
995 |
0.997 |
207 |
1322 |
|
|
18 |
A |
942 |
919 |
0.976 |
207 |
1323 |
|
|
19 |
A |
940 |
885 |
0.942 |
207 |
1324 |
|
|
20 |
A |
654 |
606 |
0.926 |
207 |
1325 |
|
|
22 |
A |
337 |
377 |
1.121 |
207 |
1326 |
|
|
23 |
A |
275 |
277 |
1.008 |
207 |
1327 |
|
|
24 |
A |
111 |
188 |
1.696 |
207 |
1328 |
CH3CH2CHO |
Propanal |
1 |
A' |
3158 |
2981 |
0.944 |
208 |
1329 |
|
|
2 |
A' |
3082 |
2904 |
0.942 |
208 |
1330 |
|
|
3 |
A' |
3049 |
2895 |
0.949 |
208 |
1331 |
|
|
4 |
A' |
2958 |
2809 |
0.950 |
208 |
1332 |
|
|
5 |
A' |
1824 |
1743 |
0.956 |
208 |
1333 |
|
|
6 |
A' |
1549 |
1460 |
0.943 |
208 |
1334 |
|
|
7 |
A' |
1518 |
1416 |
0.933 |
208 |
1335 |
|
|
8 |
A' |
1474 |
1390 |
0.943 |
208 |
1336 |
|
|
9 |
A' |
1448 |
1376 |
0.950 |
208 |
1337 |
|
|
10 |
A' |
1416 |
1335 |
0.943 |
208 |
1338 |
|
|
11 |
A' |
1146 |
1093 |
0.954 |
208 |
1339 |
|
|
12 |
A' |
1032 |
993 |
0.962 |
208 |
1340 |
|
|
13 |
A' |
888 |
848 |
0.955 |
208 |
1341 |
|
|
14 |
A' |
682 |
668 |
0.979 |
208 |
1342 |
|
|
15 |
A' |
270 |
271 |
1.005 |
208 |
1343 |
|
|
16 |
A" |
3165 |
2992 |
0.945 |
208 |
1344 |
|
|
17 |
A" |
3081 |
2942 |
0.955 |
208 |
1345 |
|
|
18 |
A" |
1545 |
1451 |
0.939 |
208 |
1346 |
|
|
19 |
A" |
1314 |
1250 |
0.951 |
208 |
1347 |
|
|
20 |
A" |
1181 |
1118 |
0.947 |
208 |
1348 |
|
|
21 |
A" |
922 |
892 |
0.968 |
208 |
1349 |
|
|
22 |
A" |
700 |
660 |
0.942 |
208 |
1350 |
|
|
23 |
A" |
239 |
220 |
0.919 |
208 |
1351 |
|
|
24 |
A" |
137 |
135 |
0.983 |
208 |
1352 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3186 |
2990 |
0.939 |
209 |
1353 |
|
|
2 |
A |
3170 |
2983 |
0.941 |
209 |
1354 |
|
|
3 |
A |
3083 |
2913 |
0.945 |
209 |
1355 |
|
|
4 |
A |
1527 |
1426 |
0.934 |
209 |
1356 |
|
|
5 |
A |
1514 |
1419 |
0.938 |
209 |
1357 |
|
|
6 |
A |
1426 |
1311 |
0.919 |
209 |
1358 |
|
|
7 |
A |
1025 |
955 |
0.932 |
209 |
1359 |
|
|
8 |
A |
1019 |
949 |
0.931 |
209 |
1360 |
|
|
9 |
A |
738 |
694 |
0.941 |
209 |
1361 |
|
|
10 |
A |
519 |
509 |
0.980 |
209 |
1362 |
|
|
11 |
A |
240 |
240 |
1.001 |
209 |
1363 |
|
|
12 |
A |
156 |
134 |
0.857 |
209 |
1364 |
|
|
13 |
A |
98 |
117 |
1.193 |
209 |
1365 |
|
|
14 |
B |
3185 |
2990 |
0.939 |
209 |
1366 |
|
|
15 |
B |
3170 |
2983 |
0.941 |
209 |
1367 |
|
|
16 |
B |
3082 |
2915 |
0.946 |
209 |
1368 |
|
|
17 |
B |
1530 |
1430 |
0.934 |
209 |
1369 |
|
|
18 |
B |
1507 |
1415 |
0.939 |
209 |
1370 |
|
|
19 |
B |
1419 |
1303 |
0.918 |
209 |
1371 |
|
|
20 |
B |
1025 |
955 |
0.932 |
209 |
1372 |
|
|
21 |
B |
1016 |
949 |
0.934 |
209 |
1373 |
|
|
22 |
B |
733 |
691 |
0.943 |
209 |
1374 |
|
|
23 |
B |
270 |
274 |
1.016 |
209 |
1375 |
|
|
24 |
B |
168 |
134 |
0.799 |
209 |
1376 |
C3H8 |
Propane |
1 |
A1 |
3137 |
2977 |
0.949 |
210 |
1377 |
|
|
2 |
A1 |
3060 |
2962 |
0.968 |
210 |
1378 |
|
|
3 |
A1 |
3057 |
2887 |
0.944 |
210 |
1379 |
|
|
4 |
A1 |
1564 |
1476 |
0.944 |
210 |
1380 |
|
|
5 |
A1 |
1544 |
1462 |
0.947 |
210 |
1381 |
|
|
6 |
A1 |
1473 |
1392 |
0.945 |
210 |
1382 |
|
|
7 |
A1 |
1214 |
1158 |
0.954 |
210 |
1383 |
|
|
8 |
A1 |
905 |
869 |
0.961 |
210 |
1384 |
|
|
9 |
A1 |
377 |
369 |
0.978 |
210 |
1385 |
|
|
10 |
A2 |
3126 |
2967 |
0.949 |
210 |
1386 |
|
|
11 |
A2 |
1541 |
1451 |
0.942 |
210 |
1387 |
|
|
12 |
A2 |
1350 |
1278 |
0.947 |
210 |
1388 |
|
|
13 |
A2 |
933 |
940 |
1.007 |
210 |
1389 |
|
|
14 |
A2 |
230 |
216 |
0.941 |
210 |
1390 |
|
|
15 |
B1 |
3136 |
2973 |
0.948 |
210 |
1391 |
|
|
16 |
B1 |
3089 |
2968 |
0.961 |
210 |
1392 |
|
|
17 |
B1 |
1557 |
1472 |
0.945 |
210 |
1393 |
|
|
18 |
B1 |
1258 |
1192 |
0.948 |
210 |
1394 |
|
|
19 |
B1 |
767 |
748 |
0.975 |
210 |
1395 |
|
|
20 |
B1 |
285 |
268 |
0.941 |
210 |
1396 |
|
|
21 |
B2 |
3134 |
2968 |
0.947 |
210 |
1397 |
|
|
22 |
B2 |
3056 |
2887 |
0.945 |
210 |
1398 |
|
|
23 |
B2 |
1547 |
1464 |
0.946 |
210 |
1399 |
|
|
24 |
B2 |
1463 |
1378 |
0.942 |
210 |
1400 |
|
|
25 |
B2 |
1411 |
1338 |
0.948 |
210 |
1401 |
|
|
26 |
B2 |
1100 |
1054 |
0.958 |
210 |
1402 |
|
|
27 |
B2 |
955 |
922 |
0.966 |
210 |
1403 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3256 |
3091 |
0.949 |
211 |
1404 |
|
|
2 |
A1 |
3231 |
3075 |
0.952 |
211 |
1405 |
|
|
3 |
A1 |
3057 |
2886 |
0.944 |
211 |
1406 |
|
|
4 |
A1 |
1615 |
1500 |
0.929 |
211 |
1407 |
|
|
5 |
A1 |
1489 |
1378 |
0.926 |
211 |
1408 |
|
|
6 |
A1 |
1439 |
1365 |
0.949 |
211 |
1409 |
|
|
7 |
A1 |
1158 |
1106 |
0.955 |
211 |
1410 |
|
|
8 |
A1 |
1033 |
994 |
0.963 |
211 |
1411 |
|
|
9 |
A1 |
951 |
915 |
0.962 |
211 |
1412 |
|
|
10 |
A1 |
818 |
802 |
0.980 |
211 |
1413 |
|
|
11 |
A2 |
1161 |
1100 |
0.948 |
211 |
1414 |
|
|
12 |
A2 |
906 |
941 |
1.039 |
211 |
1415 |
|
|
13 |
A2 |
718 |
700 |
0.975 |
211 |
1416 |
|
|
14 |
A2 |
507 |
516 |
1.018 |
211 |
1417 |
|
|
15 |
B1 |
3091 |
2900 |
0.938 |
211 |
1418 |
|
|
16 |
B1 |
963 |
925 |
0.961 |
211 |
1419 |
|
|
17 |
B1 |
930 |
891 |
0.958 |
211 |
1420 |
|
|
18 |
B1 |
684 |
664 |
0.970 |
211 |
1421 |
|
|
19 |
B1 |
347 |
350 |
1.009 |
211 |
1422 |
|
|
20 |
B2 |
3248 |
3105 |
0.956 |
211 |
1423 |
|
|
21 |
B2 |
3222 |
3043 |
0.944 |
211 |
1424 |
|
|
22 |
B2 |
1682 |
1580 |
0.940 |
211 |
1425 |
|
|
23 |
B2 |
1355 |
1292 |
0.954 |
211 |
1426 |
|
|
24 |
B2 |
1317 |
1239 |
0.941 |
211 |
1427 |
|
|
25 |
B2 |
1143 |
1090 |
0.954 |
211 |
1428 |
|
|
26 |
B2 |
1000 |
959 |
0.959 |
211 |
1429 |
|
|
27 |
B2 |
821 |
805 |
0.980 |
211 |
1430 |
C3H7N |
Cyclopropylamine |
1 |
A' |
3479 |
3348 |
0.962 |
212 |
1431 |
|
|
2 |
A' |
3266 |
3100 |
0.949 |
212 |
1432 |
|
|
3 |
A' |
3178 |
3032 |
0.954 |
212 |
1433 |
|
|
4 |
A' |
3111 |
2975 |
0.956 |
212 |
1434 |
|
|
5 |
A' |
1722 |
1617 |
0.939 |
212 |
1435 |
|
|
6 |
A' |
1564 |
1456 |
0.931 |
212 |
1436 |
|
|
7 |
A' |
1461 |
1374 |
0.940 |
212 |
1437 |
|
|
8 |
A' |
1278 |
1214 |
0.950 |
212 |
1438 |
|
|
9 |
A' |
1212 |
1168 |
0.964 |
212 |
1439 |
|
|
10 |
A' |
1107 |
1150 |
1.039 |
212 |
1440 |
|
|
11 |
A' |
1049 |
1020 |
0.972 |
212 |
1441 |
|
|
12 |
A' |
913 |
989 |
1.084 |
212 |
1442 |
|
|
13 |
A' |
846 |
805 |
0.951 |
212 |
1443 |
|
|
14 |
A' |
797 |
762 |
0.956 |
212 |
1444 |
|
|
15 |
A' |
418 |
408 |
0.976 |
212 |
1445 |
|
|
16 |
A" |
3566 |
3412 |
0.957 |
212 |
1446 |
|
|
17 |
A" |
3255 |
3100 |
0.952 |
212 |
1447 |
|
|
18 |
A" |
3170 |
3023 |
0.954 |
212 |
1448 |
|
|
19 |
A" |
1502 |
1424 |
0.948 |
212 |
1449 |
|
|
20 |
A" |
1314 |
1104 |
0.840 |
212 |
1450 |
|
|
21 |
A" |
1233 |
1045 |
0.848 |
212 |
1451 |
|
|
22 |
A" |
1171 |
1026 |
0.876 |
212 |
1452 |
|
|
23 |
A" |
1111 |
940 |
0.846 |
212 |
1453 |
|
|
24 |
A" |
941 |
884 |
0.940 |
212 |
1454 |
|
|
25 |
A" |
871 |
830 |
0.953 |
212 |
1455 |
|
|
26 |
A" |
408 |
396 |
0.970 |
212 |
1456 |
|
|
27 |
A" |
290 |
254 |
0.877 |
212 |
1457 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3204 |
3035 |
0.947 |
213 |
1458 |
|
|
2 |
A' |
3204 |
3031 |
0.946 |
213 |
1459 |
|
|
3 |
A' |
3095 |
2966 |
0.958 |
213 |
1460 |
|
|
4 |
A' |
3092 |
2964 |
0.959 |
213 |
1461 |
|
|
5 |
A' |
1856 |
1771 |
0.954 |
213 |
1462 |
|
|
6 |
A' |
1546 |
1460 |
0.944 |
213 |
1463 |
|
|
7 |
A' |
1526 |
1440 |
0.944 |
213 |
1464 |
|
|
8 |
A' |
1514 |
1430 |
0.945 |
213 |
1465 |
|
|
9 |
A' |
1452 |
1375 |
0.947 |
213 |
1466 |
|
|
10 |
A' |
1331 |
1248 |
0.937 |
213 |
1467 |
|
|
11 |
A' |
1237 |
1159 |
0.937 |
213 |
1468 |
|
|
12 |
A' |
1114 |
1060 |
0.952 |
213 |
1469 |
|
|
13 |
A' |
1017 |
980 |
0.963 |
213 |
1470 |
|
|
14 |
A' |
879 |
844 |
0.960 |
213 |
1471 |
|
|
15 |
A' |
655 |
639 |
0.975 |
213 |
1472 |
|
|
16 |
A' |
430 |
429 |
0.998 |
213 |
1473 |
|
|
17 |
A' |
293 |
303 |
1.034 |
213 |
1474 |
|
|
18 |
A" |
3178 |
3005 |
0.946 |
213 |
1475 |
|
|
19 |
A" |
3165 |
2994 |
0.946 |
213 |
1476 |
|
|
20 |
A" |
1535 |
1460 |
0.951 |
213 |
1477 |
|
|
21 |
A" |
1524 |
1430 |
0.938 |
213 |
1478 |
|
|
22 |
A" |
1201 |
1187 |
0.988 |
213 |
1479 |
|
|
23 |
A" |
1096 |
1036 |
0.946 |
213 |
1480 |
|
|
24 |
A" |
609 |
607 |
0.996 |
213 |
1481 |
|
|
25 |
A" |
182 |
187 |
1.029 |
213 |
1482 |
|
|
26 |
A" |
154 |
136 |
0.884 |
213 |
1483 |
|
|
27 |
A" |
77 |
110 |
1.433 |
213 |
1484 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3169 |
3005 |
0.948 |
214 |
1485 |
|
|
2 |
A' |
3150 |
2955 |
0.938 |
214 |
1486 |
|
|
3 |
A' |
3122 |
2927 |
0.938 |
214 |
1487 |
|
|
4 |
A' |
3072 |
2878 |
0.937 |
214 |
1488 |
|
|
5 |
A' |
1555 |
1472 |
0.947 |
214 |
1489 |
|
|
6 |
A' |
1542 |
1454 |
0.943 |
214 |
1490 |
|
|
7 |
A' |
1474 |
1390 |
0.943 |
214 |
1491 |
|
|
8 |
A' |
1351 |
1270 |
0.940 |
214 |
1492 |
|
|
9 |
A' |
1229 |
1163 |
0.947 |
214 |
1493 |
|
|
10 |
A' |
1122 |
1065 |
0.949 |
214 |
1494 |
|
|
11 |
A' |
931 |
888 |
0.954 |
214 |
1495 |
|
|
12 |
A' |
659 |
633 |
0.961 |
214 |
1496 |
|
|
13 |
A' |
435 |
418 |
0.961 |
214 |
1497 |
|
|
14 |
A' |
349 |
336 |
0.963 |
214 |
1498 |
|
|
15 |
A' |
283 |
253 |
0.894 |
214 |
1499 |
|
|
16 |
A" |
3165 |
2997 |
0.947 |
214 |
1500 |
|
|
17 |
A" |
3144 |
2985 |
0.949 |
214 |
1501 |
|
|
18 |
A" |
3068 |
2947 |
0.961 |
214 |
1502 |
|
|
19 |
A" |
1536 |
1472 |
0.959 |
214 |
1503 |
|
|
20 |
A" |
1531 |
1454 |
0.950 |
214 |
1504 |
|
|
21 |
A" |
1462 |
1377 |
0.942 |
214 |
1505 |
|
|
22 |
A" |
1403 |
1334 |
0.951 |
214 |
1506 |
|
|
23 |
A" |
1188 |
1123 |
0.946 |
214 |
1507 |
|
|
24 |
A" |
986 |
972 |
0.986 |
214 |
1508 |
|
|
25 |
A" |
967 |
936 |
0.968 |
214 |
1509 |
|
|
26 |
A" |
333 |
317 |
0.953 |
214 |
1510 |
|
|
27 |
A" |
254 |
276 |
1.085 |
214 |
1511 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3170 |
2989 |
0.943 |
215 |
1512 |
|
|
2 |
A1 |
3148 |
2941 |
0.934 |
215 |
1513 |
|
|
3 |
A1 |
3053 |
2911 |
0.953 |
215 |
1514 |
|
|
4 |
A1 |
1760 |
1661 |
0.944 |
215 |
1515 |
|
|
5 |
A1 |
1552 |
1470 |
0.947 |
215 |
1516 |
|
|
6 |
A1 |
1490 |
1416 |
0.950 |
215 |
1517 |
|
|
7 |
A1 |
1460 |
1366 |
0.936 |
215 |
1518 |
|
|
8 |
A1 |
1110 |
1064 |
0.958 |
215 |
1519 |
|
|
9 |
A1 |
835 |
801 |
0.959 |
215 |
1520 |
|
|
10 |
A1 |
383 |
383 |
1.001 |
215 |
1521 |
|
|
11 |
A2 |
3108 |
2970 |
0.956 |
215 |
1522 |
|
|
12 |
A2 |
1523 |
1459 |
0.958 |
215 |
1523 |
|
|
13 |
A2 |
1046 |
1076 |
1.029 |
215 |
1524 |
|
|
14 |
A2 |
712 |
|
|
215 |
1525 |
|
|
15 |
A2 |
170 |
193 |
1.135 |
215 |
1526 |
|
|
16 |
B1 |
3111 |
2945 |
0.947 |
215 |
1527 |
|
|
17 |
B1 |
1538 |
1444 |
0.939 |
215 |
1528 |
|
|
18 |
B1 |
1137 |
1079 |
0.949 |
215 |
1529 |
|
|
19 |
B1 |
906 |
890 |
0.982 |
215 |
1530 |
|
|
20 |
B1 |
431 |
429 |
0.995 |
215 |
1531 |
|
|
21 |
B1 |
202 |
196 |
0.968 |
215 |
1532 |
|
|
22 |
B2 |
3249 |
3086 |
0.950 |
215 |
1533 |
|
|
23 |
B2 |
3146 |
2980 |
0.947 |
215 |
1534 |
|
|
24 |
B2 |
3049 |
2893 |
0.949 |
215 |
1535 |
|
|
25 |
B2 |
1540 |
1458 |
0.947 |
215 |
1536 |
|
|
26 |
B2 |
1466 |
1381 |
0.942 |
215 |
1537 |
|
|
27 |
B2 |
1339 |
1282 |
0.957 |
215 |
1538 |
|
|
28 |
B2 |
1007 |
1043 |
1.036 |
215 |
1539 |
|
|
29 |
B2 |
993 |
974 |
0.981 |
215 |
1540 |
|
|
30 |
B2 |
440 |
430 |
0.977 |
215 |
1541 |
CH3CHCHCH3 |
2-Butene, (Z)- |
1 |
A1 |
3180 |
3033 |
0.954 |
216 |
1542 |
|
|
2 |
A1 |
3165 |
2965 |
0.937 |
216 |
1543 |
|
|
3 |
A1 |
3062 |
2878 |
0.940 |
216 |
1544 |
|
|
4 |
A1 |
1774 |
1669 |
0.941 |
216 |
1545 |
|
|
5 |
A1 |
1550 |
1448 |
0.934 |
216 |
1546 |
|
|
6 |
A1 |
1474 |
1397 |
0.948 |
216 |
1547 |
|
|
7 |
A1 |
1326 |
1261 |
0.951 |
216 |
1548 |
|
|
8 |
A1 |
1056 |
986 |
0.934 |
216 |
1549 |
|
|
9 |
A1 |
890 |
880 |
0.988 |
216 |
1550 |
|
|
10 |
A1 |
302 |
290 |
0.959 |
216 |
1551 |
|
|
11 |
A2 |
3114 |
2988 |
0.960 |
216 |
1552 |
|
|
12 |
A2 |
1533 |
1464 |
0.955 |
216 |
1553 |
|
|
13 |
A2 |
1086 |
1037 |
0.955 |
216 |
1554 |
|
|
14 |
A2 |
997 |
880 |
0.882 |
216 |
1555 |
|
|
15 |
A2 |
385 |
396 |
1.028 |
216 |
1556 |
|
|
17 |
B1 |
3115 |
2965 |
0.952 |
216 |
1557 |
|
|
18 |
B1 |
1538 |
1448 |
0.941 |
216 |
1558 |
|
|
19 |
B1 |
1099 |
986 |
0.897 |
216 |
1559 |
|
|
20 |
B1 |
708 |
673 |
0.951 |
216 |
1560 |
|
|
22 |
B2 |
3160 |
3033 |
0.960 |
216 |
1561 |
|
|
23 |
B2 |
3146 |
2965 |
0.943 |
216 |
1562 |
|
|
24 |
B2 |
3058 |
2900 |
0.948 |
216 |
1563 |
|
|
25 |
B2 |
1541 |
1448 |
0.940 |
216 |
1564 |
|
|
26 |
B2 |
1485 |
1420 |
0.956 |
216 |
1565 |
|
|
27 |
B2 |
1435 |
1397 |
0.973 |
216 |
1566 |
|
|
28 |
B2 |
1185 |
1135 |
0.958 |
216 |
1567 |
|
|
29 |
B2 |
1011 |
986 |
0.975 |
216 |
1568 |
|
|
30 |
B2 |
573 |
583 |
1.017 |
216 |
1569 |
C6H6 |
Benzene |
1 |
A1g |
3223 |
3062 |
0.950 |
217 |
1570 |
|
|
2 |
A1g |
1030 |
992 |
0.963 |
217 |
1571 |
|
|
3 |
A2g |
1394 |
1326 |
0.951 |
217 |
1572 |
|
|
4 |
A2u |
692 |
673 |
0.973 |
217 |
1573 |
|
|
5 |
B1u |
3186 |
3068 |
0.963 |
217 |
1574 |
|
|
6 |
B1u |
1023 |
1010 |
0.987 |
217 |
1575 |
|
|
7 |
B2g |
917 |
995 |
1.085 |
217 |
1576 |
|
|
8 |
B2g |
582 |
703 |
1.208 |
217 |
1577 |
|
|
9 |
B2u |
1322 |
1310 |
0.991 |
217 |
1578 |
|
|
10 |
B2u |
1192 |
1150 |
0.965 |
217 |
1579 |
|
|
11 |
E1g |
856 |
849 |
0.992 |
217 |
1580 |
|
|
12 |
E1u |
3212 |
3063 |
0.954 |
217 |
1581 |
|
|
13 |
E1u |
1547 |
1486 |
0.961 |
217 |
1582 |
|
|
14 |
E1u |
1083 |
1038 |
0.958 |
217 |
1583 |
|
|
15 |
E2g |
3196 |
3047 |
0.953 |
217 |
1584 |
|
|
16 |
E2g |
1687 |
1596 |
0.946 |
217 |
1585 |
|
|
17 |
E2g |
1227 |
1178 |
0.960 |
217 |
1586 |
|
|
18 |
E2g |
624 |
606 |
0.971 |
217 |
1587 |
|
|
19 |
E2u |
926 |
975 |
1.053 |
217 |
1588 |
|
|
20 |
E2u |
403 |
410 |
1.017 |
217 |
1589 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3265 |
3095 |
0.948 |
218 |
1590 |
|
|
2 |
A' |
3253 |
3095 |
0.951 |
218 |
1591 |
|
|
3 |
A' |
3188 |
3000 |
0.941 |
218 |
1592 |
|
|
4 |
A' |
3174 |
3000 |
0.945 |
218 |
1593 |
|
|
5 |
A' |
3166 |
3000 |
0.947 |
218 |
1594 |
|
|
6 |
A' |
3153 |
2984 |
0.946 |
218 |
1595 |
|
|
7 |
A' |
3062 |
2904 |
0.948 |
218 |
1596 |
|
|
8 |
A' |
1752 |
1638 |
0.935 |
218 |
1597 |
|
|
9 |
A' |
1695 |
1607 |
0.948 |
218 |
1598 |
|
|
10 |
A' |
1552 |
1464 |
0.943 |
218 |
1599 |
|
|
11 |
A' |
1502 |
1420 |
0.946 |
218 |
1600 |
|
|
12 |
A' |
1474 |
1389 |
0.942 |
218 |
1601 |
|
|
13 |
A' |
1454 |
1363 |
0.937 |
218 |
1602 |
|
|
14 |
A' |
1368 |
1313 |
0.960 |
218 |
1603 |
|
|
15 |
A' |
1353 |
1303 |
0.963 |
218 |
1604 |
|
|
16 |
A' |
1113 |
1072 |
0.963 |
218 |
1605 |
|
|
17 |
A' |
1033 |
1012 |
0.980 |
218 |
1606 |
|
|
18 |
A' |
987 |
953 |
0.965 |
218 |
1607 |
|
|
19 |
A' |
806 |
770 |
0.956 |
218 |
1608 |
|
|
20 |
A' |
538 |
530 |
0.985 |
218 |
1609 |
|
|
21 |
A' |
429 |
396 |
0.924 |
218 |
1610 |
|
|
22 |
A' |
286 |
196 |
0.686 |
218 |
1611 |
|
|
23 |
A" |
3125 |
2949 |
0.944 |
218 |
1612 |
|
|
24 |
A" |
1531 |
1451 |
0.948 |
218 |
1613 |
|
|
25 |
A" |
1094 |
1034 |
0.945 |
218 |
1614 |
|
|
26 |
A" |
1017 |
991 |
0.974 |
218 |
1615 |
|
|
27 |
A" |
922 |
907 |
0.984 |
218 |
1616 |
|
|
28 |
A" |
909 |
907 |
0.998 |
218 |
1617 |
|
|
29 |
A" |
779 |
757 |
0.972 |
218 |
1618 |
|
|
30 |
A" |
643 |
615 |
0.956 |
218 |
1619 |
|
|
31 |
A" |
394 |
290 |
0.735 |
218 |
1620 |
|
|
32 |
A" |
210 |
153 |
0.727 |
218 |
1621 |
C5H8 |
Cyclopentene |
1 |
A' |
3230 |
3066 |
0.949 |
219 |
1622 |
|
|
2 |
A' |
3131 |
2958 |
0.945 |
219 |
1623 |
|
|
3 |
A' |
3099 |
2916 |
0.941 |
219 |
1624 |
|
|
4 |
A' |
3076 |
2902 |
0.943 |
219 |
1625 |
|
|
5 |
A' |
3046 |
2852 |
0.936 |
219 |
1626 |
|
|
6 |
A' |
1713 |
1616 |
0.943 |
219 |
1627 |
|
|
7 |
A' |
1564 |
1467 |
0.938 |
219 |
1628 |
|
|
8 |
A' |
1538 |
1449 |
0.942 |
219 |
1629 |
|
|
9 |
A' |
1377 |
1302 |
0.946 |
219 |
1630 |
|
|
10 |
A' |
1267 |
1284 |
1.013 |
219 |
1631 |
|
|
11 |
A' |
1157 |
1213 |
1.048 |
219 |
1632 |
|
|
12 |
A' |
1102 |
1048 |
0.951 |
219 |
1633 |
|
|
13 |
A' |
1002 |
964 |
0.962 |
219 |
1634 |
|
|
14 |
A' |
936 |
962 |
1.028 |
219 |
1635 |
|
|
15 |
A' |
853 |
904 |
1.060 |
219 |
1636 |
|
|
16 |
A' |
725 |
692 |
0.955 |
219 |
1637 |
|
|
17 |
A' |
613 |
603 |
0.983 |
219 |
1638 |
|
|
18 |
A' |
167 |
254 |
1.521 |
219 |
1639 |
|
|
19 |
A" |
3205 |
3039 |
0.948 |
219 |
1640 |
|
|
20 |
A" |
3096 |
2967 |
0.958 |
219 |
1641 |
|
|
21 |
A" |
3046 |
2927 |
0.961 |
219 |
1642 |
|
|
22 |
A" |
1546 |
1467 |
0.949 |
219 |
1643 |
|
|
23 |
A" |
1418 |
1432 |
1.010 |
219 |
1644 |
|
|
24 |
A" |
1368 |
1356 |
0.991 |
219 |
1645 |
|
|
25 |
A" |
1342 |
1302 |
0.970 |
219 |
1646 |
|
|
26 |
A" |
1259 |
1297 |
1.031 |
219 |
1647 |
|
|
27 |
A" |
1180 |
1207 |
1.023 |
219 |
1648 |
|
|
28 |
A" |
1074 |
1113 |
1.036 |
219 |
1649 |
|
|
29 |
A" |
958 |
1082 |
1.129 |
219 |
1650 |
|
|
30 |
A" |
944 |
937 |
0.993 |
219 |
1651 |
|
|
31 |
A" |
920 |
800 |
0.870 |
219 |
1652 |
|
|
32 |
A" |
787 |
702 |
0.891 |
219 |
1653 |
|
|
33 |
A" |
391 |
387 |
0.991 |
219 |
1654 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3253 |
3080 |
0.947 |
220 |
1655 |
|
|
2 |
A |
3176 |
3012 |
0.948 |
220 |
1656 |
|
|
3 |
A |
3163 |
3012 |
0.952 |
220 |
1657 |
|
|
4 |
A |
3045 |
2900 |
0.952 |
220 |
1658 |
|
|
5 |
A |
1744 |
1644 |
0.942 |
220 |
1659 |
|
|
6 |
A |
1531 |
1433 |
0.936 |
220 |
1660 |
|
|
7 |
A |
1486 |
1413 |
0.951 |
220 |
1661 |
|
|
8 |
A |
1345 |
1295 |
0.963 |
220 |
1662 |
|
|
9 |
A |
1292 |
1263 |
0.977 |
220 |
1663 |
|
|
10 |
A |
1111 |
1120 |
1.008 |
220 |
1664 |
|
|
11 |
A |
1027 |
995 |
0.969 |
220 |
1665 |
|
|
12 |
A |
935 |
918 |
0.982 |
220 |
1666 |
|
|
13 |
A |
933 |
876 |
0.939 |
220 |
1667 |
|
|
14 |
A |
682 |
562 |
0.824 |
220 |
1668 |
|
|
15 |
A |
378 |
421 |
1.115 |
220 |
1669 |
|
|
16 |
A |
302 |
137 |
0.453 |
220 |
1670 |
|
|
17 |
A |
87 |
102 |
1.176 |
220 |
1671 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3102 |
2953 |
0.952 |
221 |
1672 |
|
|
2 |
A1 |
2977 |
2775 |
0.932 |
221 |
1673 |
|
|
3 |
A1 |
1554 |
1459 |
0.939 |
221 |
1674 |
|
|
4 |
A1 |
1529 |
1444 |
0.945 |
221 |
1675 |
|
|
5 |
A1 |
1247 |
1186 |
0.951 |
221 |
1676 |
|
|
6 |
A1 |
862 |
828 |
0.960 |
221 |
1677 |
|
|
7 |
A1 |
382 |
367 |
0.960 |
221 |
1678 |
|
|
8 |
A2 |
3141 |
2977 |
0.948 |
221 |
1679 |
|
|
9 |
A2 |
1541 |
1453 |
0.943 |
221 |
1680 |
|
|
10 |
A2 |
1089 |
1046 |
0.961 |
221 |
1681 |
|
|
11 |
A2 |
259 |
255 |
0.986 |
221 |
1682 |
|
|
12 |
E |
3146 |
2981 |
0.947 |
221 |
1683 |
|
|
13 |
E |
3097 |
2953 |
0.953 |
221 |
1684 |
|
|
14 |
E |
2965 |
2776 |
0.936 |
221 |
1685 |
|
|
15 |
E |
1560 |
1471 |
0.943 |
221 |
1686 |
|
|
16 |
E |
1532 |
1444 |
0.942 |
221 |
1687 |
|
|
17 |
E |
1487 |
1409 |
0.948 |
221 |
1688 |
|
|
18 |
E |
1347 |
1275 |
0.947 |
221 |
1689 |
|
|
19 |
E |
1148 |
1103 |
0.961 |
221 |
1690 |
|
|
20 |
E |
1091 |
1043 |
0.957 |
221 |
1691 |
|
|
21 |
E |
437 |
424 |
0.969 |
221 |
1692 |
|
|
22 |
E |
287 |
281 |
0.979 |
221 |
1693 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
436 |
1442 |
3.311 |
222 |
1694 |
|
|
|
Ag |
869 |
1151 |
1.325 |
222 |
1695 |
|
|
|
Au |
1327 |
1257 |
0.948 |
222 |
1696 |
|
|
|
Bg |
1549 |
1300 |
0.839 |
222 |
1697 |
|
|
|
Bu |
3050 |
2870 |
0.941 |
222 |
1698 |
|
|
|
Bu |
3058 |
2853 |
0.933 |
222 |
1699 |
|
|
|
Bu |
3135 |
271 |
0.086 |
222 |
1700 |
C4H9N |
Pyrrolidine |
1 |
A' |
3512 |
3356 |
0.956 |
223 |
1701 |
|
|
2 |
A' |
3145 |
2975 |
0.946 |
223 |
1702 |
|
|
3 |
A' |
3113 |
2927 |
0.940 |
223 |
1703 |
|
|
4 |
A' |
3095 |
2889 |
0.933 |
223 |
1704 |
|
|
5 |
A' |
2976 |
2824 |
0.949 |
223 |
1705 |
|
|
6 |
A' |
1583 |
1484 |
0.938 |
223 |
1706 |
|
|
7 |
A' |
1559 |
1447 |
0.928 |
223 |
1707 |
|
|
8 |
A' |
1437 |
1292 |
0.899 |
223 |
1708 |
|
|
9 |
A' |
1361 |
1273 |
0.936 |
223 |
1709 |
|
|
10 |
A' |
1282 |
1228 |
0.958 |
223 |
1710 |
|
|
11 |
A' |
1264 |
1181 |
0.934 |
223 |
1711 |
|
|
12 |
A' |
1105 |
974 |
0.881 |
223 |
1712 |
|
|
13 |
A' |
1035 |
920 |
0.889 |
223 |
1713 |
|
|
14 |
A' |
974 |
901 |
0.925 |
223 |
1714 |
|
|
15 |
A' |
934 |
871 |
0.933 |
223 |
1715 |
|
|
16 |
A' |
921 |
832 |
0.904 |
223 |
1716 |
|
|
17 |
A' |
794 |
789 |
0.994 |
223 |
1717 |
|
|
18 |
A' |
596 |
579 |
0.971 |
223 |
1718 |
|
|
19 |
A' |
309 |
299 |
0.967 |
223 |
1719 |
|
|
20 |
A" |
3126 |
2967 |
0.949 |
223 |
1720 |
|
|
21 |
A" |
3108 |
2916 |
0.938 |
223 |
1721 |
|
|
22 |
A" |
3085 |
2879 |
0.933 |
223 |
1722 |
|
|
23 |
A" |
2972 |
2818 |
0.948 |
223 |
1723 |
|
|
24 |
A" |
1565 |
1459 |
0.932 |
223 |
1724 |
|
|
25 |
A" |
1538 |
1412 |
0.918 |
223 |
1725 |
|
|
26 |
A" |
1475 |
1341 |
0.909 |
223 |
1726 |
|
|
27 |
A" |
1365 |
1268 |
0.929 |
223 |
1727 |
|
|
28 |
A" |
1339 |
1211 |
0.904 |
223 |
1728 |
|
|
29 |
A" |
1280 |
1203 |
0.940 |
223 |
1729 |
|
|
30 |
A" |
1232 |
1171 |
0.951 |
223 |
1730 |
|
|
31 |
A" |
1165 |
1099 |
0.943 |
223 |
1731 |
|
|
32 |
A" |
1134 |
1023 |
0.902 |
223 |
1732 |
|
|
33 |
A" |
963 |
883 |
0.917 |
223 |
1733 |
|
|
34 |
A" |
894 |
848 |
0.948 |
223 |
1734 |
|
|
35 |
A" |
642 |
600 |
0.935 |
223 |
1735 |
|
|
36 |
A" |
68 |
65 |
0.955 |
223 |
1736 |
C8H8 |
cubane |
1 |
A1g |
3166 |
2995 |
0.946 |
224 |
1737 |
|
|
2 |
A1g |
1042 |
1002 |
0.962 |
224 |
1738 |
|
|
3 |
A2u |
3133 |
2978 |
0.951 |
224 |
1739 |
|
|
4 |
A2u |
1036 |
839 |
0.810 |
224 |
1740 |
|
|
5 |
Eg |
1154 |
1083 |
0.938 |
224 |
1741 |
|
|
6 |
Eg |
939 |
912 |
0.971 |
224 |
1742 |
|
|
7 |
Eu |
1139 |
1151 |
1.011 |
224 |
1743 |
|
|
8 |
Eu |
613 |
617 |
1.007 |
224 |
1744 |
|
|
9 |
T1g |
1167 |
1130 |
0.968 |
224 |
1745 |
|
|
10 |
T1u |
3149 |
2978 |
0.946 |
224 |
1746 |
|
|
11 |
T1u |
1302 |
1230 |
0.945 |
224 |
1747 |
|
|
12 |
T1u |
882 |
853 |
0.967 |
224 |
1748 |
|
|
13 |
T2g |
3142 |
2970 |
0.945 |
224 |
1749 |
|
|
14 |
T2g |
1245 |
1182 |
0.950 |
224 |
1750 |
|
|
15 |
T2g |
857 |
821 |
0.958 |
224 |
1751 |
|
|
16 |
T2g |
672 |
665 |
0.990 |
224 |
1752 |
|
|
17 |
T2u |
1105 |
1036 |
0.937 |
224 |
1753 |
|
|
18 |
T2u |
862 |
829 |
0.962 |
224 |
1754 |
C6H12 |
Cyclohexane |
1 |
A1g |
3091 |
2930 |
0.948 |
225 |
1755 |
|
|
2 |
A1g |
3042 |
2852 |
0.937 |
225 |
1756 |
|
|
3 |
A1g |
1564 |
1465 |
0.937 |
225 |
1757 |
|
|
4 |
A1g |
1222 |
1157 |
0.946 |
225 |
1758 |
|
|
5 |
A1g |
832 |
802 |
0.964 |
225 |
1759 |
|
|
6 |
A1g |
391 |
383 |
0.980 |
225 |
1760 |
|
|
7 |
A1u |
1423 |
1383 |
0.972 |
225 |
1761 |
|
|
8 |
A1u |
1166 |
1157 |
0.992 |
225 |
1762 |
|
|
9 |
A1u |
1142 |
1057 |
0.925 |
225 |
1763 |
|
|
10 |
A2g |
1381 |
1437 |
1.040 |
225 |
1764 |
|
|
11 |
A2g |
1096 |
1090 |
0.994 |
225 |
1765 |
|
|
12 |
A2u |
3100 |
2915 |
0.940 |
225 |
1766 |
|
|
13 |
A2u |
3044 |
2860 |
0.940 |
225 |
1767 |
|
|
14 |
A2u |
1549 |
1437 |
0.928 |
225 |
1768 |
|
|
15 |
A2u |
1069 |
1030 |
0.963 |
225 |
1769 |
|
|
16 |
A2u |
534 |
523 |
0.979 |
225 |
1770 |
|
|
17 |
Eg |
3092 |
2930 |
0.948 |
225 |
1771 |
|
|
18 |
Eg |
3042 |
2897 |
0.952 |
225 |
1772 |
|
|
19 |
Eg |
1537 |
1443 |
0.939 |
225 |
1773 |
|
|
20 |
Eg |
1430 |
1347 |
0.942 |
225 |
1774 |
|
|
21 |
Eg |
1326 |
1266 |
0.955 |
225 |
1775 |
|
|
22 |
Eg |
1070 |
1027 |
0.960 |
225 |
1776 |
|
|
23 |
Eg |
816 |
785 |
0.962 |
225 |
1777 |
|
|
24 |
Eg |
436 |
426 |
0.977 |
225 |
1778 |
|
|
25 |
Eu |
3088 |
2933 |
0.950 |
225 |
1779 |
|
|
26 |
Eu |
3039 |
2863 |
0.942 |
225 |
1780 |
|
|
27 |
Eu |
1544 |
1457 |
0.944 |
225 |
1781 |
|
|
28 |
Eu |
1424 |
1355 |
0.951 |
225 |
1782 |
|
|
29 |
Eu |
1319 |
1261 |
0.956 |
225 |
1783 |
|
|
30 |
Eu |
942 |
907 |
0.963 |
225 |
1784 |
|
|
31 |
Eu |
896 |
863 |
0.963 |
225 |
1785 |
|
|
32 |
Eu |
240 |
248 |
1.033 |
225 |
1786 |