H2 |
Hydrogen diatomic |
1 |
Σg |
4552 |
4161 |
0.914 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1379 |
1360 |
0.986 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
339 |
346 |
1.021 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1120 |
1133 |
1.012 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
152 |
158 |
1.034 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
2076 |
1987 |
0.957 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1502 |
1432 |
0.954 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2344 |
2269 |
0.968 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1639 |
1625 |
0.991 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2738 |
2733 |
0.998 |
10 |
10 |
|
|
1 |
Σ |
3239 |
|
|
10 |
11 |
C2 |
Carbon diatomic |
1 |
Σg |
1864 |
1827 |
0.980 |
11 |
12 |
SiH |
Silylidyne |
1 |
Σ |
1944 |
1971 |
1.014 |
12 |
13 |
Si2 |
Silicon diatomic |
1 |
Σg |
381 |
507 |
1.332 |
13 |
14 |
NH |
Imidogen |
1 |
Σ |
3043 |
3126 |
1.027 |
14 |
15 |
CN |
Cyano radical |
1 |
Σ |
2616 |
2042 |
0.781 |
15 |
16 |
N2 |
Nitrogen diatomic |
1 |
Σg |
1848 |
2330 |
1.261 |
16 |
17 |
|
|
1 |
Σg |
1383 |
1733 |
1.253 |
16 |
18 |
SiN |
Silicon nitride |
1 |
Σ |
1192 |
1138 |
0.955 |
17 |
19 |
PH |
phosphorus monohydride |
1 |
Σ |
2202 |
2276 |
1.034 |
18 |
20 |
|
|
1 |
Σ |
2192 |
2319 |
1.058 |
18 |
21 |
CP |
Carbon monophosphide |
1 |
Σ |
1002 |
1226 |
1.224 |
19 |
22 |
PN |
Phosphorus mononitride |
1 |
Σ |
862 |
1323 |
1.535 |
20 |
23 |
P2 |
Phosphorus diatomic |
1 |
Σg |
490 |
775 |
1.582 |
21 |
24 |
OH |
Hydroxyl radical |
1 |
Σ |
3378 |
3570 |
1.057 |
22 |
25 |
LiO |
lithium oxide |
1 |
Σ |
1042 |
799 |
0.767 |
23 |
26 |
BeO |
beryllium oxide |
1 |
Σ |
1325 |
1435 |
1.083 |
24 |
27 |
BO |
boron monoxide |
1 |
Σ |
1955 |
1862 |
0.952 |
25 |
28 |
CO |
Carbon monoxide |
1 |
Σ |
1942 |
2143 |
1.103 |
26 |
29 |
|
|
1 |
Σ |
1996 |
|
|
26 |
30 |
NaO |
sodium monoxide |
1 |
Σ |
615 |
|
|
27 |
31 |
MgO |
magnesium oxide |
1 |
Σ |
1251 |
775 |
0.619 |
28 |
32 |
SiO |
Silicon monoxide |
1 |
Σ |
1055 |
1230 |
1.166 |
29 |
33 |
HS |
Mercapto radical |
1 |
Σ |
2457 |
2599 |
1.058 |
30 |
34 |
BeS |
beryllium sulfide |
1 |
Σ |
962 |
986 |
1.024 |
31 |
35 |
BS |
boron sulfide |
1 |
Σ |
1117 |
1167 |
1.045 |
32 |
36 |
CS |
carbon monosulfide |
1 |
Σ |
1103 |
1272 |
1.154 |
33 |
37 |
SO |
Sulfur monoxide |
1 |
Σ |
1361 |
1138 |
0.836 |
34 |
38 |
|
|
1 |
Σ |
852 |
1054 |
1.237 |
34 |
39 |
MgS |
magnesium sulfide |
1 |
Σ |
536 |
523 |
0.977 |
35 |
40 |
AlS |
Aluminum sulfide |
1 |
Σ |
676 |
610 |
0.903 |
36 |
41 |
SiS |
silicon monosulfide |
1 |
Σ |
622 |
744 |
1.196 |
37 |
42 |
S2 |
Sulfur diatomic |
1 |
Σg |
458 |
720 |
1.572 |
38 |
43 |
HF |
Hydrogen fluoride |
1 |
Σ |
3756 |
3961 |
1.055 |
39 |
44 |
LiF |
lithium fluoride |
1 |
Σ |
1058 |
896 |
0.847 |
40 |
45 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1380 |
|
|
41 |
46 |
CF |
Fluoromethylidyne |
1 |
Σ |
1277 |
1286 |
1.007 |
42 |
47 |
NF |
nitrogen fluoride |
1 |
Σ |
1236 |
1123 |
0.909 |
43 |
48 |
F2 |
Fluorine diatomic |
1 |
Σg |
1067 |
894 |
0.838 |
44 |
49 |
NaF |
sodium fluoride |
1 |
Σ |
580 |
529 |
0.911 |
45 |
50 |
MgF |
Magnesium monofluoride |
1 |
Σ |
771 |
|
|
46 |
51 |
AlF |
Aluminum monofluoride |
1 |
Σ |
856 |
793 |
0.926 |
47 |
52 |
SiF |
silicon monofluoride |
1 |
Σ |
890 |
848 |
0.953 |
48 |
53 |
PF |
phosphorus monofluoride |
1 |
Σ |
846 |
838 |
0.990 |
49 |
54 |
SF |
Monosulfur monofluoride |
1 |
Σ |
855 |
829 |
0.969 |
50 |
55 |
HCl |
Hydrogen chloride |
1 |
Σ |
2680 |
2886 |
1.077 |
51 |
56 |
LiCl |
lithium chloride |
1 |
Σ |
617 |
634 |
1.027 |
52 |
57 |
BeCl |
beryllium monochloride |
1 |
Σ |
795 |
847 |
1.065 |
53 |
58 |
BCl |
boron monochloride |
1 |
Σ |
657 |
829 |
1.263 |
54 |
59 |
CCl |
carbon monochloride |
1 |
Σ |
656 |
866 |
1.321 |
55 |
60 |
ClO |
Monochlorine monoxide |
1 |
Σ |
1245 |
843 |
0.677 |
56 |
61 |
ClF |
Chlorine monofluoride |
1 |
Σ |
712 |
773 |
1.087 |
57 |
62 |
NaCl |
Sodium Chloride |
1 |
Σ |
340 |
361 |
1.063 |
58 |
63 |
MgCl |
magnesium monochloride |
1 |
Σ |
435 |
|
|
59 |
64 |
AlCl |
Aluminum monochloride |
1 |
Σ |
420 |
478 |
1.136 |
60 |
65 |
SiCl |
Clorosilylidyne |
1 |
Σ |
428 |
531 |
1.242 |
61 |
66 |
PCl |
phosphorus chloride |
1 |
Σ |
465 |
547 |
1.176 |
62 |
67 |
SCl |
sulfur monochloride |
1 |
Σ |
720 |
577 |
0.802 |
63 |
68 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
448 |
554 |
1.236 |
64 |
69 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2280 |
2159 |
0.947 |
65 |
70 |
|
|
3 |
Πu |
738 |
698 |
0.946 |
65 |
71 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1636 |
1572 |
0.961 |
66 |
72 |
|
|
3 |
Πu |
489 |
440 |
0.899 |
66 |
73 |
BH2 |
boron dihydride |
2 |
A1 |
1067 |
954 |
0.894 |
67 |
74 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1846 |
1770 |
0.959 |
68 |
75 |
|
|
2 |
A1 |
758 |
760 |
1.003 |
68 |
76 |
|
|
3 |
B2 |
1881 |
1807 |
0.961 |
68 |
77 |
SiH2 |
silicon dihydride |
1 |
A1 |
1985 |
1996 |
1.005 |
69 |
78 |
|
|
2 |
A1 |
1027 |
999 |
0.973 |
69 |
79 |
|
|
3 |
B2 |
1983 |
1993 |
1.005 |
69 |
80 |
NH2 |
Amino radical |
1 |
A1 |
3204 |
3219 |
1.005 |
70 |
81 |
|
|
2 |
A1 |
1626 |
1497 |
0.921 |
70 |
82 |
|
|
3 |
B2 |
3317 |
3301 |
0.995 |
70 |
83 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3501 |
3312 |
0.946 |
71 |
84 |
|
|
2 |
Σ |
1943 |
2089 |
1.075 |
71 |
85 |
|
|
3 |
Π |
839 |
712 |
0.849 |
71 |
86 |
PH2 |
Phosphino radical |
1 |
A1 |
2244 |
2310 |
1.030 |
72 |
87 |
|
|
2 |
A1 |
1137 |
1102 |
0.969 |
72 |
88 |
HCP |
Phosphaethyne |
1 |
Σ |
3375 |
3217 |
0.953 |
73 |
89 |
|
|
2 |
Σ |
1134 |
1278 |
1.127 |
73 |
90 |
|
|
3 |
Π |
673 |
674 |
1.002 |
73 |
91 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
1987 |
2095 |
1.054 |
74 |
92 |
|
|
2 |
A' |
987 |
1188 |
1.204 |
74 |
93 |
|
|
3 |
A' |
907 |
986 |
1.086 |
74 |
94 |
H2O |
Water |
1 |
A1 |
3505 |
3657 |
1.043 |
75 |
95 |
|
|
2 |
A1 |
1722 |
1595 |
0.926 |
75 |
96 |
|
|
3 |
B2 |
3664 |
3756 |
1.025 |
75 |
97 |
HBO |
Boron hydride oxide |
1 |
Σ |
2990 |
2850 |
0.953 |
76 |
98 |
|
|
2 |
Σ |
1740 |
1826 |
1.049 |
76 |
99 |
|
|
3 |
Π |
798 |
756 |
0.947 |
76 |
100 |
HCO |
Formyl radical |
1 |
A' |
3183 |
2434 |
0.765 |
77 |
101 |
|
|
2 |
A' |
2366 |
1868 |
0.789 |
77 |
102 |
|
|
3 |
A' |
1025 |
1081 |
1.054 |
77 |
103 |
HNO |
Nitrosyl hydride |
1 |
A' |
2887 |
2684 |
0.930 |
78 |
104 |
|
|
2 |
A' |
1502 |
1565 |
1.042 |
78 |
105 |
|
|
3 |
A' |
1048 |
1501 |
1.432 |
78 |
106 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3404 |
3436 |
1.010 |
79 |
107 |
|
|
2 |
A' |
1504 |
1392 |
0.925 |
79 |
108 |
|
|
3 |
A' |
1395 |
1098 |
0.787 |
79 |
109 |
CO2 |
Carbon dioxide |
1 |
Σg |
1241 |
1333 |
1.074 |
80 |
110 |
|
|
2 |
Σu |
2348 |
2349 |
1.000 |
80 |
111 |
|
|
3 |
Πu |
552 |
667 |
1.209 |
80 |
112 |
N2O |
Nitrous oxide |
1 |
Σ |
1893 |
2224 |
1.175 |
81 |
113 |
|
|
2 |
Σ |
1027 |
1285 |
1.251 |
81 |
114 |
|
|
3 |
Π |
483 |
589 |
1.220 |
81 |
115 |
NaOH |
sodium hydroxide |
1 |
Σ |
3643 |
3637 |
0.998 |
82 |
116 |
|
|
2 |
Σ |
672 |
540 |
0.803 |
82 |
117 |
|
|
3 |
Π |
336 |
300 |
0.894 |
82 |
118 |
SiO2 |
silicon dioxide |
2 |
Σu |
1468 |
1416 |
0.965 |
83 |
119 |
|
|
3 |
Πu |
42 |
273 |
6.429 |
83 |
120 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2489 |
2615 |
1.050 |
84 |
121 |
|
|
2 |
A1 |
1228 |
1183 |
0.964 |
84 |
122 |
|
|
3 |
B2 |
2516 |
2626 |
1.044 |
84 |
123 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2909 |
2736 |
0.940 |
85 |
124 |
|
|
2 |
Σ |
1146 |
1172 |
1.023 |
85 |
125 |
OCS |
Carbonyl sulfide |
1 |
Σ |
1985 |
2062 |
1.039 |
86 |
126 |
|
|
2 |
Σ |
803 |
859 |
1.070 |
86 |
127 |
|
|
3 |
Π |
506 |
520 |
1.027 |
86 |
128 |
SO2 |
Sulfur dioxide |
1 |
A1 |
944 |
1151 |
1.219 |
87 |
129 |
|
|
2 |
A1 |
432 |
518 |
1.199 |
87 |
130 |
|
|
3 |
B2 |
1447 |
1362 |
0.941 |
87 |
131 |
CS2 |
Carbon disulfide |
1 |
Σg |
605 |
658 |
1.088 |
88 |
132 |
|
|
2 |
Σu |
1500 |
1535 |
1.023 |
88 |
133 |
|
|
3 |
Πu |
369 |
397 |
1.075 |
88 |
134 |
SSO |
Disulfur monoxide |
1 |
A' |
1347 |
1166 |
0.866 |
89 |
135 |
|
|
2 |
A' |
602 |
679 |
1.127 |
89 |
136 |
|
|
3 |
A' |
297 |
380 |
1.282 |
89 |
137 |
HCF |
Fluoromethylene |
1 |
A' |
2731 |
2643 |
0.968 |
90 |
138 |
|
|
2 |
A' |
1440 |
1403 |
0.975 |
90 |
139 |
|
|
3 |
A' |
1210 |
1189 |
0.982 |
90 |
140 |
HOF |
Hypofluorous acid |
1 |
A' |
3404 |
3578 |
1.051 |
91 |
141 |
|
|
2 |
A' |
1315 |
1362 |
1.036 |
91 |
142 |
|
|
3 |
A' |
1010 |
893 |
0.885 |
91 |
143 |
CF2 |
Difluoromethylene |
1 |
A1 |
1221 |
1225 |
1.003 |
92 |
144 |
|
|
2 |
A1 |
617 |
667 |
1.081 |
92 |
145 |
|
|
3 |
B2 |
1167 |
1114 |
0.955 |
92 |
146 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1270 |
1844 |
1.452 |
93 |
147 |
|
|
2 |
A' |
802 |
766 |
0.956 |
93 |
148 |
|
|
3 |
A' |
521 |
520 |
0.998 |
93 |
149 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1303 |
1075 |
0.825 |
94 |
150 |
|
|
2 |
A1 |
513 |
573 |
1.116 |
94 |
151 |
|
|
3 |
B2 |
1265 |
942 |
0.745 |
94 |
152 |
F2O |
Difluorine monoxide |
1 |
A1 |
946 |
928 |
0.981 |
95 |
153 |
|
|
2 |
A1 |
388 |
461 |
1.188 |
95 |
154 |
|
|
3 |
B2 |
968 |
831 |
0.859 |
95 |
155 |
HOCl |
hypochlorous acid |
1 |
A' |
3368 |
3609 |
1.072 |
96 |
156 |
|
|
2 |
A' |
1256 |
1239 |
0.986 |
96 |
157 |
|
|
3 |
A' |
667 |
724 |
1.085 |
96 |
158 |
ClCN |
chlorocyanogen |
1 |
Σ |
2061 |
2216 |
1.075 |
97 |
159 |
|
|
2 |
Σ |
629 |
744 |
1.183 |
97 |
160 |
|
|
3 |
Π |
424 |
378 |
0.892 |
97 |
161 |
OClO |
Chlorine dioxide |
1 |
A1 |
740 |
946 |
1.278 |
98 |
162 |
|
|
2 |
A1 |
351 |
448 |
1.274 |
98 |
163 |
|
|
3 |
B2 |
682 |
1110 |
1.628 |
98 |
164 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
539 |
639 |
1.185 |
99 |
165 |
|
|
2 |
A1 |
255 |
296 |
1.160 |
99 |
166 |
|
|
3 |
B2 |
639 |
686 |
1.073 |
99 |
167 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
428 |
522 |
1.218 |
100 |
168 |
|
|
2 |
A1 |
159 |
201 |
1.261 |
100 |
169 |
|
|
3 |
B2 |
427 |
509 |
1.193 |
100 |
170 |
ClS2 |
Sulfur chloride |
1 |
A' |
1363 |
662 |
0.486 |
101 |
171 |
|
|
2 |
A' |
456 |
450 |
0.986 |
101 |
172 |
|
|
3 |
A' |
173 |
196 |
1.130 |
101 |
173 |
BH3 |
boron trihydride |
2 |
A2" |
1185 |
1148 |
0.968 |
102 |
174 |
|
|
3 |
E' |
2758 |
2602 |
0.943 |
102 |
175 |
|
|
4 |
E' |
1252 |
1197 |
0.956 |
102 |
176 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1924 |
1900 |
0.988 |
103 |
177 |
|
|
2 |
A2" |
713 |
698 |
0.979 |
103 |
178 |
|
|
3 |
E' |
1937 |
1883 |
0.972 |
103 |
179 |
|
|
4 |
E' |
779 |
783 |
1.005 |
103 |
180 |
C2H2 |
Acetylene |
1 |
Σg |
3534 |
3374 |
0.955 |
104 |
181 |
|
|
2 |
Σg |
1971 |
1974 |
1.002 |
104 |
182 |
|
|
3 |
Σu |
3438 |
3289 |
0.957 |
104 |
183 |
|
|
4 |
Πg |
507 |
612 |
1.207 |
104 |
184 |
|
|
5 |
Πu |
741 |
730 |
0.985 |
104 |
185 |
SiH3 |
Silyl radical |
1 |
A1 |
2200 |
2136 |
0.971 |
105 |
186 |
|
|
2 |
A1 |
750 |
728 |
0.971 |
105 |
187 |
|
|
3 |
E |
2234 |
2185 |
0.978 |
105 |
188 |
|
|
4 |
E |
948 |
922 |
0.972 |
105 |
189 |
NH3 |
Ammonia |
1 |
A1 |
3445 |
3337 |
0.969 |
106 |
190 |
|
|
2 |
A1 |
926 |
950 |
1.026 |
106 |
191 |
|
|
3 |
E |
3600 |
3444 |
0.957 |
106 |
192 |
|
|
4 |
E |
1796 |
1627 |
0.906 |
106 |
193 |
C2N2 |
Cyanogen |
1 |
Σg |
2236 |
2330 |
1.042 |
107 |
194 |
|
|
2 |
Σg |
838 |
846 |
1.010 |
107 |
195 |
|
|
3 |
Σu |
1996 |
2158 |
1.081 |
107 |
196 |
|
|
4 |
Πg |
730 |
503 |
0.689 |
107 |
197 |
|
|
5 |
Πu |
298 |
234 |
0.786 |
107 |
198 |
PH3 |
Phosphine |
1 |
A1 |
2295 |
2323 |
1.012 |
108 |
199 |
|
|
2 |
A1 |
1041 |
992 |
0.953 |
108 |
200 |
|
|
3 |
E |
2298 |
2328 |
1.013 |
108 |
201 |
|
|
4 |
E |
1169 |
1118 |
0.956 |
108 |
202 |
P4 |
Phosphorus tetramer |
1 |
A1 |
453 |
601 |
1.325 |
109 |
203 |
|
|
2 |
E |
261 |
361 |
1.381 |
109 |
204 |
|
|
3 |
T2 |
330 |
467 |
1.415 |
109 |
205 |
H2CO |
Formaldehyde |
1 |
A1 |
2986 |
2782 |
0.932 |
110 |
206 |
|
|
2 |
A1 |
1715 |
1746 |
1.018 |
110 |
207 |
|
|
3 |
A1 |
1524 |
1500 |
0.984 |
110 |
208 |
|
|
4 |
B1 |
1225 |
1167 |
0.952 |
110 |
209 |
|
|
5 |
B2 |
3047 |
2843 |
0.933 |
110 |
210 |
|
|
6 |
B2 |
1307 |
1249 |
0.956 |
110 |
211 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3451 |
3599 |
1.043 |
111 |
212 |
|
|
2 |
A |
1469 |
1402 |
0.954 |
111 |
213 |
|
|
3 |
A |
952 |
877 |
0.921 |
111 |
214 |
|
|
4 |
A |
152 |
371 |
2.442 |
111 |
215 |
|
|
5 |
B |
3474 |
3608 |
1.038 |
111 |
216 |
|
|
6 |
B |
1163 |
1266 |
1.089 |
111 |
217 |
HNCO |
Isocyanic acid |
1 |
A' |
3724 |
3538 |
0.950 |
112 |
218 |
|
|
2 |
A' |
2345 |
2269 |
0.968 |
112 |
219 |
|
|
3 |
A' |
1268 |
1327 |
1.046 |
112 |
220 |
|
|
4 |
A' |
681 |
777 |
1.140 |
112 |
221 |
|
|
5 |
A' |
558 |
577 |
1.035 |
112 |
222 |
|
|
6 |
A" |
566 |
656 |
1.160 |
112 |
223 |
B2O2 |
Diboron dioxide |
1 |
Σg |
1994 |
2060 |
1.033 |
113 |
224 |
|
|
2 |
Σg |
637 |
585 |
0.919 |
113 |
225 |
|
|
3 |
Σu |
1790 |
1898 |
1.060 |
113 |
226 |
|
|
4 |
Πg |
581 |
410 |
0.706 |
113 |
227 |
|
|
5 |
Πu |
248 |
213 |
0.857 |
113 |
228 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3168 |
2971 |
0.938 |
114 |
229 |
|
|
2 |
A1 |
1575 |
1456 |
0.924 |
114 |
230 |
|
|
3 |
A1 |
992 |
1059 |
1.068 |
114 |
231 |
|
|
4 |
B1 |
1038 |
990 |
0.954 |
114 |
232 |
|
|
5 |
B2 |
3271 |
3025 |
0.925 |
114 |
233 |
|
|
6 |
B2 |
1054 |
991 |
0.941 |
114 |
234 |
H2S2 |
Disulfane |
1 |
A |
2454 |
2556 |
1.042 |
115 |
235 |
|
|
2 |
A |
818 |
882 |
1.078 |
115 |
236 |
|
|
3 |
A |
418 |
515 |
1.230 |
115 |
237 |
|
|
4 |
A |
317 |
417 |
1.318 |
115 |
238 |
|
|
5 |
B |
2455 |
2559 |
1.042 |
115 |
239 |
|
|
6 |
B |
802 |
878 |
1.095 |
115 |
240 |
SO3 |
Sulfur trioxide |
1 |
A1' |
914 |
1065 |
1.165 |
116 |
241 |
|
|
2 |
A2" |
316 |
498 |
1.578 |
116 |
242 |
|
|
3 |
E' |
1368 |
1391 |
1.017 |
116 |
243 |
|
|
4 |
E' |
427 |
530 |
1.242 |
116 |
244 |
BHF2 |
Difluoroborane |
1 |
A1 |
2858 |
2621 |
0.917 |
117 |
245 |
|
|
2 |
A1 |
1207 |
1164 |
0.964 |
117 |
246 |
|
|
3 |
A1 |
548 |
542 |
0.988 |
117 |
247 |
|
|
4 |
B1 |
986 |
924 |
0.937 |
117 |
248 |
|
|
5 |
B2 |
1569 |
1402 |
0.893 |
117 |
249 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1892 |
1928 |
1.019 |
118 |
250 |
|
|
2 |
A1 |
936 |
965 |
1.031 |
118 |
251 |
|
|
3 |
A1 |
555 |
584 |
1.052 |
118 |
252 |
|
|
4 |
B1 |
730 |
774 |
1.060 |
118 |
253 |
|
|
5 |
B2 |
1287 |
1249 |
0.971 |
118 |
254 |
|
|
6 |
B2 |
616 |
626 |
1.016 |
118 |
255 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
910 |
888 |
0.976 |
119 |
256 |
|
|
2 |
A2" |
664 |
691 |
1.040 |
119 |
257 |
|
|
3 |
E' |
1583 |
1449 |
0.915 |
119 |
258 |
|
|
4 |
E' |
484 |
480 |
0.991 |
119 |
259 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
965 |
1523 |
1.578 |
120 |
260 |
|
|
2 |
Ag |
933 |
1018 |
1.091 |
120 |
261 |
|
|
3 |
Ag |
552 |
603 |
1.093 |
120 |
262 |
|
|
4 |
Au |
325 |
364 |
1.120 |
120 |
263 |
|
|
5 |
Bu |
994 |
991 |
0.997 |
120 |
264 |
|
|
6 |
Bu |
360 |
423 |
1.174 |
120 |
265 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1070 |
1089 |
1.018 |
121 |
266 |
|
|
2 |
A1 |
665 |
701 |
1.053 |
121 |
267 |
|
|
3 |
E |
1323 |
1260 |
0.953 |
121 |
268 |
|
|
4 |
E |
483 |
509 |
1.053 |
121 |
269 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
940 |
1032 |
1.098 |
122 |
270 |
|
|
2 |
A1 |
550 |
647 |
1.177 |
122 |
271 |
|
|
3 |
E |
922 |
907 |
0.984 |
122 |
272 |
|
|
4 |
E |
405 |
492 |
1.215 |
122 |
273 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
724 |
690 |
0.952 |
123 |
274 |
|
|
2 |
A2" |
277 |
297 |
1.074 |
123 |
275 |
|
|
3 |
E' |
1039 |
935 |
0.900 |
123 |
276 |
|
|
4 |
E' |
277 |
263 |
0.948 |
123 |
277 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
903 |
892 |
0.988 |
124 |
278 |
|
|
2 |
A1 |
440 |
487 |
1.107 |
124 |
279 |
|
|
3 |
E |
922 |
860 |
0.933 |
124 |
280 |
|
|
4 |
E |
315 |
344 |
1.092 |
124 |
281 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2826 |
2617 |
0.926 |
125 |
282 |
|
|
2 |
A1 |
669 |
740 |
1.106 |
125 |
283 |
|
|
4 |
B1 |
807 |
784 |
0.972 |
125 |
284 |
|
|
5 |
B2 |
1135 |
1089 |
0.960 |
125 |
285 |
|
|
6 |
B2 |
834 |
892 |
1.070 |
125 |
286 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1076 |
1267 |
1.178 |
126 |
287 |
|
|
2 |
A1 |
715 |
793 |
1.109 |
126 |
288 |
|
|
3 |
A1 |
282 |
364 |
1.290 |
126 |
289 |
|
|
4 |
B1 |
548 |
652 |
1.189 |
126 |
290 |
|
|
5 |
B2 |
1793 |
1684 |
0.939 |
126 |
291 |
|
|
6 |
B2 |
315 |
408 |
1.296 |
126 |
292 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
582 |
752 |
1.291 |
127 |
293 |
|
|
2 |
A1 |
380 |
529 |
1.392 |
127 |
294 |
|
|
3 |
A1 |
231 |
328 |
1.419 |
127 |
295 |
|
|
4 |
B1 |
234 |
328 |
1.400 |
127 |
296 |
|
|
5 |
B2 |
684 |
702 |
1.026 |
127 |
297 |
|
|
6 |
B2 |
306 |
442 |
1.444 |
127 |
298 |
CCl2O |
Phosgene |
1 |
A1 |
1783 |
1827 |
1.025 |
128 |
299 |
|
|
2 |
A1 |
442 |
567 |
1.284 |
128 |
300 |
|
|
3 |
A1 |
257 |
285 |
1.109 |
128 |
301 |
|
|
4 |
B1 |
514 |
580 |
1.128 |
128 |
302 |
|
|
5 |
B2 |
668 |
849 |
1.271 |
128 |
303 |
|
|
6 |
B2 |
370 |
440 |
1.190 |
128 |
304 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
874 |
820 |
0.938 |
129 |
305 |
|
|
2 |
A1 |
484 |
500 |
1.033 |
129 |
306 |
|
|
3 |
A1 |
264 |
250 |
0.949 |
129 |
307 |
|
|
4 |
B1 |
253 |
260 |
1.029 |
129 |
308 |
|
|
5 |
B2 |
1014 |
900 |
0.887 |
129 |
309 |
|
|
6 |
B2 |
208 |
200 |
0.962 |
129 |
310 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
435 |
471 |
1.084 |
130 |
311 |
|
|
2 |
A2" |
466 |
460 |
0.987 |
130 |
312 |
|
|
3 |
E' |
876 |
956 |
1.091 |
130 |
313 |
|
|
4 |
E' |
266 |
243 |
0.914 |
130 |
314 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
934 |
850 |
0.910 |
131 |
315 |
|
|
2 |
A1 |
406 |
450 |
1.108 |
131 |
316 |
|
|
3 |
A1 |
152 |
150 |
0.989 |
131 |
317 |
|
|
4 |
B1 |
223 |
220 |
0.987 |
131 |
318 |
|
|
5 |
B2 |
602 |
610 |
1.014 |
131 |
319 |
|
|
6 |
B2 |
226 |
200 |
0.884 |
131 |
320 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
351 |
375 |
1.067 |
132 |
321 |
|
|
2 |
A2" |
190 |
183 |
0.964 |
132 |
322 |
|
|
3 |
E' |
587 |
595 |
1.014 |
132 |
323 |
|
|
4 |
E' |
140 |
150 |
1.074 |
132 |
324 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
403 |
504 |
1.252 |
133 |
325 |
|
|
2 |
A1 |
187 |
252 |
1.349 |
133 |
326 |
|
|
3 |
E |
408 |
482 |
1.182 |
133 |
327 |
|
|
4 |
E |
141 |
198 |
1.404 |
133 |
328 |
CH4 |
Methane |
1 |
A1 |
3087 |
2917 |
0.945 |
134 |
329 |
|
|
2 |
E |
1668 |
1534 |
0.920 |
134 |
330 |
|
|
3 |
T2 |
3196 |
3019 |
0.945 |
134 |
331 |
|
|
4 |
T2 |
1457 |
1306 |
0.897 |
134 |
332 |
SiH4 |
Silane |
1 |
A1 |
2216 |
2187 |
0.987 |
135 |
333 |
|
|
2 |
E |
990 |
975 |
0.985 |
135 |
334 |
|
|
3 |
T2 |
2224 |
2191 |
0.985 |
135 |
335 |
|
|
4 |
T2 |
923 |
914 |
0.991 |
135 |
336 |
CH2NH |
Methanimine |
1 |
A' |
3287 |
3263 |
0.993 |
136 |
337 |
|
|
2 |
A' |
3195 |
3024 |
0.947 |
136 |
338 |
|
|
3 |
A' |
3077 |
2914 |
0.947 |
136 |
339 |
|
|
4 |
A' |
1680 |
1638 |
0.975 |
136 |
340 |
|
|
5 |
A' |
1507 |
1452 |
0.963 |
136 |
341 |
|
|
6 |
A' |
1379 |
1344 |
0.975 |
136 |
342 |
|
|
7 |
A' |
1115 |
1058 |
0.949 |
136 |
343 |
|
|
8 |
A" |
1199 |
1127 |
0.940 |
136 |
344 |
|
|
9 |
A" |
1119 |
1061 |
0.948 |
136 |
345 |
CH2CO |
Ketene |
1 |
A1 |
3236 |
3070 |
0.949 |
137 |
346 |
|
|
2 |
A1 |
2161 |
2152 |
0.996 |
137 |
347 |
|
|
3 |
A1 |
1499 |
1388 |
0.926 |
137 |
348 |
|
|
4 |
A1 |
1154 |
1118 |
0.969 |
137 |
349 |
|
|
5 |
B1 |
705 |
588 |
0.835 |
137 |
350 |
|
|
6 |
B1 |
571 |
528 |
0.925 |
137 |
351 |
|
|
7 |
B2 |
3327 |
3166 |
0.952 |
137 |
352 |
|
|
8 |
B2 |
1085 |
977 |
0.900 |
137 |
353 |
|
|
9 |
B2 |
481 |
433 |
0.901 |
137 |
354 |
HCOOH |
Formic acid |
1 |
A' |
3493 |
3570 |
1.022 |
138 |
355 |
|
|
2 |
A' |
3149 |
2943 |
0.935 |
138 |
356 |
|
|
3 |
A' |
1704 |
1770 |
1.039 |
138 |
357 |
|
|
4 |
A' |
1463 |
1387 |
0.948 |
138 |
358 |
|
|
5 |
A' |
1344 |
1229 |
0.915 |
138 |
359 |
|
|
6 |
A' |
1057 |
1105 |
1.046 |
138 |
360 |
|
|
7 |
A' |
611 |
625 |
1.023 |
138 |
361 |
|
|
8 |
A" |
1084 |
1033 |
0.953 |
138 |
362 |
|
|
9 |
A" |
674 |
638 |
0.946 |
138 |
363 |
HNO3 |
Nitric acid |
1 |
A' |
3417 |
3550 |
1.039 |
139 |
364 |
|
|
2 |
A' |
1743 |
1708 |
0.980 |
139 |
365 |
|
|
3 |
A' |
1315 |
1331 |
1.012 |
139 |
366 |
|
|
4 |
A' |
1131 |
1325 |
1.172 |
139 |
367 |
|
|
5 |
A' |
833 |
879 |
1.055 |
139 |
368 |
|
|
6 |
A' |
597 |
647 |
1.083 |
139 |
369 |
|
|
7 |
A' |
492 |
579 |
1.178 |
139 |
370 |
|
|
8 |
A" |
653 |
762 |
1.167 |
139 |
371 |
|
|
9 |
A" |
455 |
456 |
1.002 |
139 |
372 |
CH3F |
Methyl fluoride |
1 |
A1 |
3095 |
2930 |
0.947 |
140 |
373 |
|
|
2 |
A1 |
1590 |
1464 |
0.921 |
140 |
374 |
|
|
3 |
A1 |
1067 |
1049 |
0.983 |
140 |
375 |
|
|
4 |
E |
3163 |
3006 |
0.950 |
140 |
376 |
|
|
5 |
E |
1610 |
1467 |
0.911 |
140 |
377 |
|
|
6 |
E |
1215 |
1182 |
0.973 |
140 |
378 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3131 |
2948 |
0.941 |
141 |
379 |
|
|
2 |
A1 |
1650 |
1508 |
0.914 |
141 |
380 |
|
|
3 |
A1 |
1098 |
1111 |
1.012 |
141 |
381 |
|
|
4 |
A1 |
501 |
529 |
1.054 |
141 |
382 |
|
|
5 |
A2 |
1317 |
1262 |
0.958 |
141 |
383 |
|
|
6 |
B1 |
3190 |
3014 |
0.945 |
141 |
384 |
|
|
7 |
B1 |
1198 |
1178 |
0.983 |
141 |
385 |
|
|
8 |
B2 |
1554 |
1435 |
0.923 |
141 |
386 |
|
|
9 |
B2 |
1157 |
1090 |
0.942 |
141 |
387 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3234 |
3036 |
0.939 |
142 |
388 |
|
|
2 |
A1 |
1131 |
1117 |
0.987 |
142 |
389 |
|
|
3 |
A1 |
666 |
700 |
1.051 |
142 |
390 |
|
|
4 |
E |
1494 |
1372 |
0.918 |
142 |
391 |
|
|
5 |
E |
1222 |
1152 |
0.943 |
142 |
392 |
|
|
6 |
E |
486 |
507 |
1.044 |
142 |
393 |
SiH3F |
monofluorosilane |
1 |
A1 |
2267 |
2206 |
0.973 |
143 |
394 |
|
|
2 |
A1 |
1103 |
990 |
0.898 |
143 |
395 |
|
|
3 |
A1 |
896 |
872 |
0.974 |
143 |
396 |
|
|
4 |
E |
2263 |
2196 |
0.970 |
143 |
397 |
|
|
5 |
E |
930 |
956 |
1.028 |
143 |
398 |
|
|
6 |
E |
784 |
728 |
0.929 |
143 |
399 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3155 |
2966 |
0.940 |
144 |
400 |
|
|
2 |
A1 |
1427 |
1355 |
0.950 |
144 |
401 |
|
|
3 |
A1 |
643 |
732 |
1.139 |
144 |
402 |
|
|
4 |
E |
3271 |
3042 |
0.930 |
144 |
403 |
|
|
5 |
E |
1574 |
1455 |
0.924 |
144 |
404 |
|
|
6 |
E |
1029 |
1015 |
0.986 |
144 |
405 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2255 |
2201 |
0.976 |
145 |
406 |
|
|
2 |
A1 |
955 |
949 |
0.994 |
145 |
407 |
|
|
3 |
A1 |
457 |
551 |
1.205 |
145 |
408 |
|
|
4 |
E |
2275 |
2195 |
0.965 |
145 |
409 |
|
|
5 |
E |
957 |
954 |
0.996 |
145 |
410 |
|
|
6 |
E |
646 |
664 |
1.028 |
145 |
411 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3219 |
2999 |
0.932 |
146 |
412 |
|
|
2 |
A1 |
1519 |
1467 |
0.965 |
146 |
413 |
|
|
3 |
A1 |
627 |
717 |
1.143 |
146 |
414 |
|
|
4 |
A1 |
255 |
282 |
1.106 |
146 |
415 |
|
|
5 |
A2 |
1174 |
1153 |
0.982 |
146 |
416 |
|
|
6 |
B1 |
3321 |
3040 |
0.915 |
146 |
417 |
|
|
7 |
B1 |
876 |
898 |
1.026 |
146 |
418 |
|
|
8 |
B2 |
1303 |
1268 |
0.973 |
146 |
419 |
|
|
9 |
B2 |
680 |
758 |
1.115 |
146 |
420 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2295 |
2224 |
0.969 |
147 |
421 |
|
|
2 |
A1 |
944 |
954 |
1.010 |
147 |
422 |
|
|
3 |
A1 |
445 |
527 |
1.185 |
147 |
423 |
|
|
4 |
A1 |
168 |
188 |
1.121 |
147 |
424 |
|
|
5 |
A2 |
712 |
710 |
0.998 |
147 |
425 |
|
|
6 |
B1 |
2322 |
2237 |
0.963 |
147 |
426 |
|
|
7 |
B1 |
557 |
602 |
1.081 |
147 |
427 |
|
|
8 |
B2 |
878 |
876 |
0.998 |
147 |
428 |
|
|
9 |
B2 |
505 |
590 |
1.169 |
147 |
429 |
CHCl3 |
Chloroform |
1 |
A1 |
3282 |
3034 |
0.924 |
148 |
430 |
|
|
2 |
A1 |
588 |
680 |
1.156 |
148 |
431 |
|
|
3 |
A1 |
323 |
366 |
1.134 |
148 |
432 |
|
|
4 |
E |
1233 |
1220 |
0.989 |
148 |
433 |
|
|
5 |
E |
700 |
774 |
1.106 |
148 |
434 |
|
|
6 |
E |
237 |
260 |
1.096 |
148 |
435 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2334 |
2261 |
0.969 |
149 |
436 |
|
|
2 |
A1 |
420 |
499 |
1.188 |
149 |
437 |
|
|
3 |
A1 |
216 |
254 |
1.177 |
149 |
438 |
|
|
4 |
E |
778 |
811 |
1.043 |
149 |
439 |
|
|
5 |
E |
523 |
600 |
1.147 |
149 |
440 |
|
|
6 |
E |
158 |
176 |
1.114 |
149 |
441 |
C2H4 |
Ethylene |
1 |
Ag |
3194 |
3026 |
0.948 |
150 |
442 |
|
|
2 |
Ag |
1694 |
1623 |
0.958 |
150 |
443 |
|
|
3 |
Ag |
1434 |
1342 |
0.936 |
150 |
444 |
|
|
4 |
Au |
1092 |
1023 |
0.937 |
150 |
445 |
|
|
5 |
B1u |
3175 |
2989 |
0.941 |
150 |
446 |
|
|
6 |
B1u |
1572 |
1444 |
0.918 |
150 |
447 |
|
|
7 |
B2g |
981 |
940 |
0.958 |
150 |
448 |
|
|
8 |
B2u |
3279 |
3105 |
0.947 |
150 |
449 |
|
|
9 |
B2u |
893 |
826 |
0.925 |
150 |
450 |
|
|
10 |
B3g |
3250 |
3086 |
0.950 |
150 |
451 |
|
|
11 |
B3g |
1305 |
1217 |
0.933 |
150 |
452 |
|
|
12 |
B3u |
1006 |
949 |
0.944 |
150 |
453 |
C3H3 |
Propargyl radical |
1 |
A1 |
3545 |
3322 |
0.937 |
151 |
454 |
|
|
6 |
B1 |
692 |
687 |
0.993 |
151 |
455 |
|
|
7 |
B1 |
604 |
490 |
0.811 |
151 |
456 |
N2H4 |
Hydrazine |
1 |
A |
3519 |
3398 |
0.966 |
152 |
457 |
|
|
2 |
A |
3392 |
3329 |
0.981 |
152 |
458 |
|
|
3 |
A |
1772 |
1642 |
0.927 |
152 |
459 |
|
|
4 |
A |
1337 |
1275 |
0.954 |
152 |
460 |
|
|
5 |
A |
1126 |
1076 |
0.955 |
152 |
461 |
|
|
6 |
A |
763 |
780 |
1.022 |
152 |
462 |
|
|
7 |
A |
394 |
377 |
0.955 |
152 |
463 |
|
|
8 |
B |
3525 |
3350 |
0.950 |
152 |
464 |
|
|
9 |
B |
3378 |
3314 |
0.981 |
152 |
465 |
|
|
10 |
B |
1753 |
1628 |
0.929 |
152 |
466 |
|
|
11 |
B |
1318 |
1275 |
0.968 |
152 |
467 |
|
|
12 |
B |
1003 |
966 |
0.963 |
152 |
468 |
CH3CN |
Acetonitrile |
1 |
A1 |
3101 |
2954 |
0.953 |
153 |
469 |
|
|
2 |
A1 |
2159 |
2267 |
1.050 |
153 |
470 |
|
|
3 |
A1 |
1513 |
1385 |
0.916 |
153 |
471 |
|
|
4 |
A1 |
896 |
920 |
1.027 |
153 |
472 |
|
|
5 |
E |
3174 |
3009 |
0.948 |
153 |
473 |
|
|
6 |
E |
1584 |
1448 |
0.914 |
153 |
474 |
|
|
7 |
E |
1146 |
1041 |
0.908 |
153 |
475 |
|
|
8 |
E |
418 |
362 |
0.865 |
153 |
476 |
CH3OH |
Methyl alcohol |
1 |
A' |
3519 |
3681 |
1.046 |
154 |
477 |
|
|
2 |
A' |
3183 |
3000 |
0.942 |
154 |
478 |
|
|
3 |
A' |
3050 |
2844 |
0.933 |
154 |
479 |
|
|
4 |
A' |
1623 |
1477 |
0.910 |
154 |
480 |
|
|
5 |
A' |
1555 |
1455 |
0.935 |
154 |
481 |
|
|
6 |
A' |
1418 |
1345 |
0.949 |
154 |
482 |
|
|
7 |
A' |
1098 |
1060 |
0.966 |
154 |
483 |
|
|
8 |
A' |
991 |
1033 |
1.043 |
154 |
484 |
|
|
9 |
A" |
3094 |
2960 |
0.957 |
154 |
485 |
|
|
10 |
A" |
1606 |
1477 |
0.920 |
154 |
486 |
|
|
11 |
A" |
1181 |
1165 |
0.987 |
154 |
487 |
|
|
12 |
A" |
382 |
200 |
0.523 |
154 |
488 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3023 |
2843 |
0.940 |
155 |
489 |
|
|
2 |
Ag |
1599 |
1745 |
1.091 |
155 |
490 |
|
|
3 |
Ag |
1395 |
1338 |
0.959 |
155 |
491 |
|
|
4 |
Ag |
1020 |
1065 |
1.044 |
155 |
492 |
|
|
5 |
Ag |
541 |
551 |
1.018 |
155 |
493 |
|
|
6 |
Au |
873 |
801 |
0.918 |
155 |
494 |
|
|
7 |
Au |
203 |
127 |
0.625 |
155 |
495 |
|
|
8 |
Bg |
1105 |
1048 |
0.948 |
155 |
496 |
|
|
9 |
Bu |
3022 |
2835 |
0.938 |
155 |
497 |
|
|
10 |
Bu |
1575 |
1732 |
1.099 |
155 |
498 |
|
|
11 |
Bu |
1374 |
1312 |
0.955 |
155 |
499 |
|
|
12 |
Bu |
311 |
339 |
1.091 |
155 |
500 |
CH3SH |
Methanethiol |
1 |
A' |
3235 |
3000 |
0.927 |
156 |
501 |
|
|
2 |
A' |
3135 |
2931 |
0.935 |
156 |
502 |
|
|
3 |
A' |
2477 |
2597 |
1.049 |
156 |
503 |
|
|
4 |
A' |
1583 |
1475 |
0.932 |
156 |
504 |
|
|
5 |
A' |
1436 |
1335 |
0.930 |
156 |
505 |
|
|
6 |
A' |
1115 |
1074 |
0.964 |
156 |
506 |
|
|
7 |
A' |
794 |
803 |
1.011 |
156 |
507 |
|
|
8 |
A' |
648 |
708 |
1.093 |
156 |
508 |
|
|
9 |
A" |
3235 |
3000 |
0.927 |
156 |
509 |
|
|
10 |
A" |
1577 |
1430 |
0.907 |
156 |
510 |
|
|
11 |
A" |
1002 |
976 |
0.974 |
156 |
511 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3320 |
3115 |
0.938 |
157 |
512 |
|
|
2 |
A' |
3256 |
3080 |
0.946 |
157 |
513 |
|
|
3 |
A' |
3222 |
3052 |
0.947 |
157 |
514 |
|
|
4 |
A' |
1716 |
1654 |
0.964 |
157 |
515 |
|
|
5 |
A' |
1515 |
1380 |
0.911 |
157 |
516 |
|
|
6 |
A' |
1404 |
1306 |
0.930 |
157 |
517 |
|
|
7 |
A' |
1198 |
1156 |
0.965 |
157 |
518 |
|
|
8 |
A' |
966 |
929 |
0.962 |
157 |
519 |
|
|
9 |
A' |
483 |
483 |
1.000 |
157 |
520 |
|
|
10 |
A" |
1021 |
940 |
0.921 |
157 |
521 |
|
|
11 |
A" |
931 |
863 |
0.927 |
157 |
522 |
|
|
12 |
A" |
745 |
711 |
0.954 |
157 |
523 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3260 |
3070 |
0.942 |
158 |
524 |
|
|
2 |
A1 |
1782 |
1728 |
0.970 |
158 |
525 |
|
|
3 |
A1 |
1507 |
1360 |
0.902 |
158 |
526 |
|
|
4 |
A1 |
924 |
926 |
1.002 |
158 |
527 |
|
|
5 |
A1 |
526 |
550 |
1.045 |
158 |
528 |
|
|
6 |
A2 |
751 |
714 |
0.951 |
158 |
529 |
|
|
7 |
B1 |
893 |
803 |
0.900 |
158 |
530 |
|
|
8 |
B1 |
635 |
611 |
0.962 |
158 |
531 |
|
|
9 |
B2 |
3361 |
3154 |
0.938 |
158 |
532 |
|
|
10 |
B2 |
1374 |
1302 |
0.948 |
158 |
533 |
|
|
11 |
B2 |
1003 |
955 |
0.952 |
158 |
534 |
|
|
12 |
B2 |
435 |
438 |
1.007 |
158 |
535 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3301 |
3121 |
0.945 |
159 |
536 |
|
|
2 |
A' |
3286 |
3086 |
0.939 |
159 |
537 |
|
|
3 |
A' |
3198 |
3030 |
0.947 |
159 |
538 |
|
|
4 |
A' |
1668 |
1608 |
0.964 |
159 |
539 |
|
|
5 |
A' |
1489 |
1368 |
0.919 |
159 |
540 |
|
|
6 |
A' |
1329 |
1279 |
0.962 |
159 |
541 |
|
|
7 |
A' |
1084 |
1030 |
0.950 |
159 |
542 |
|
|
8 |
A' |
632 |
720 |
1.140 |
159 |
543 |
|
|
9 |
A' |
386 |
395 |
1.023 |
159 |
544 |
|
|
10 |
A" |
1005 |
941 |
0.936 |
159 |
545 |
|
|
11 |
A" |
978 |
896 |
0.916 |
159 |
546 |
|
|
12 |
A" |
634 |
620 |
0.978 |
159 |
547 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3215 |
3035 |
0.944 |
160 |
548 |
|
|
2 |
A1 |
1681 |
1627 |
0.968 |
160 |
549 |
|
|
3 |
A1 |
1503 |
1400 |
0.931 |
160 |
550 |
|
|
4 |
A1 |
526 |
603 |
1.147 |
160 |
551 |
|
|
5 |
A1 |
262 |
299 |
1.143 |
160 |
552 |
|
|
6 |
A2 |
728 |
686 |
0.942 |
160 |
553 |
|
|
7 |
B1 |
989 |
875 |
0.885 |
160 |
554 |
|
|
8 |
B1 |
441 |
460 |
1.044 |
160 |
555 |
|
|
9 |
B2 |
3310 |
3130 |
0.946 |
160 |
556 |
|
|
10 |
B2 |
1160 |
1095 |
0.944 |
160 |
557 |
|
|
11 |
B2 |
724 |
800 |
1.105 |
160 |
558 |
|
|
12 |
B2 |
369 |
372 |
1.009 |
160 |
559 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3303 |
3077 |
0.932 |
161 |
560 |
|
|
2 |
A1 |
1658 |
1587 |
0.957 |
161 |
561 |
|
|
3 |
A1 |
1237 |
1179 |
0.953 |
161 |
562 |
|
|
4 |
A1 |
623 |
711 |
1.141 |
161 |
563 |
|
|
5 |
A1 |
166 |
173 |
1.044 |
161 |
564 |
|
|
6 |
A2 |
963 |
876 |
0.909 |
161 |
565 |
|
|
7 |
A2 |
403 |
406 |
1.008 |
161 |
566 |
|
|
8 |
B1 |
753 |
697 |
0.926 |
161 |
567 |
|
|
9 |
B2 |
3276 |
3072 |
0.938 |
161 |
568 |
|
|
10 |
B2 |
1345 |
1303 |
0.969 |
161 |
569 |
|
|
11 |
B2 |
781 |
857 |
1.098 |
161 |
570 |
|
|
12 |
B2 |
525 |
571 |
1.088 |
161 |
571 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3310 |
3073 |
0.928 |
162 |
572 |
|
|
2 |
Ag |
1653 |
1578 |
0.955 |
162 |
573 |
|
|
3 |
Ag |
1323 |
1274 |
0.963 |
162 |
574 |
|
|
4 |
Ag |
766 |
846 |
1.105 |
162 |
575 |
|
|
5 |
Ag |
322 |
350 |
1.087 |
162 |
576 |
|
|
6 |
Au |
973 |
900 |
0.925 |
162 |
577 |
|
|
7 |
Au |
204 |
227 |
1.111 |
162 |
578 |
|
|
8 |
Bg |
822 |
763 |
0.928 |
162 |
579 |
|
|
9 |
Bu |
3305 |
3090 |
0.935 |
162 |
580 |
|
|
10 |
Bu |
1249 |
1200 |
0.961 |
162 |
581 |
|
|
11 |
Bu |
719 |
828 |
1.151 |
162 |
582 |
|
|
12 |
Bu |
224 |
250 |
1.114 |
162 |
583 |
CH3CCH |
propyne |
1 |
A1 |
3488 |
3334 |
0.956 |
163 |
584 |
|
|
2 |
A1 |
3085 |
2918 |
0.946 |
163 |
585 |
|
|
3 |
A1 |
2144 |
2124 |
0.991 |
163 |
586 |
|
|
4 |
A1 |
1501 |
1382 |
0.920 |
163 |
587 |
|
|
5 |
A1 |
900 |
931 |
1.035 |
163 |
588 |
|
|
6 |
E |
3150 |
3008 |
0.955 |
163 |
589 |
|
|
7 |
E |
1589 |
1452 |
0.914 |
163 |
590 |
|
|
8 |
E |
1123 |
1053 |
0.938 |
163 |
591 |
|
|
9 |
E |
598 |
633 |
1.059 |
163 |
592 |
|
|
10 |
E |
250 |
328 |
1.314 |
163 |
593 |
CH2CCH2 |
allene |
1 |
A1 |
3173 |
3015 |
0.950 |
164 |
594 |
|
|
2 |
A1 |
1564 |
1443 |
0.923 |
164 |
595 |
|
|
3 |
A1 |
1101 |
1073 |
0.975 |
164 |
596 |
|
|
4 |
B1 |
930 |
865 |
0.930 |
164 |
597 |
|
|
5 |
B2 |
3174 |
3007 |
0.947 |
164 |
598 |
|
|
6 |
B2 |
2032 |
1957 |
0.963 |
164 |
599 |
|
|
7 |
B2 |
1533 |
1398 |
0.912 |
164 |
600 |
|
|
8 |
E |
3248 |
3086 |
0.950 |
164 |
601 |
|
|
9 |
E |
1106 |
999 |
0.903 |
164 |
602 |
|
|
10 |
E |
937 |
841 |
0.897 |
164 |
603 |
|
|
11 |
E |
329 |
355 |
1.078 |
164 |
604 |
C3H4 |
cyclopropene |
1 |
A1 |
3368 |
3158 |
0.938 |
165 |
605 |
|
|
2 |
A1 |
3163 |
2909 |
0.920 |
165 |
606 |
|
|
3 |
A1 |
1661 |
1653 |
0.995 |
165 |
607 |
|
|
4 |
A1 |
1582 |
1483 |
0.937 |
165 |
608 |
|
|
5 |
A1 |
1133 |
1110 |
0.980 |
165 |
609 |
|
|
6 |
A1 |
936 |
905 |
0.966 |
165 |
610 |
|
|
7 |
A2 |
1058 |
996 |
0.942 |
165 |
611 |
|
|
8 |
A2 |
863 |
820 |
0.950 |
165 |
612 |
|
|
9 |
B1 |
3251 |
2995 |
0.921 |
165 |
613 |
|
|
10 |
B1 |
1139 |
1088 |
0.955 |
165 |
614 |
|
|
11 |
B1 |
622 |
569 |
0.915 |
165 |
615 |
|
|
12 |
B2 |
3319 |
3124 |
0.941 |
165 |
616 |
|
|
13 |
B2 |
1141 |
1043 |
0.914 |
165 |
617 |
|
|
14 |
B2 |
1109 |
1011 |
0.912 |
165 |
618 |
|
|
15 |
B2 |
704 |
769 |
1.093 |
165 |
619 |
CH3NH2 |
methyl amine |
1 |
A' |
3444 |
3361 |
0.976 |
166 |
620 |
|
|
2 |
A' |
3124 |
2961 |
0.948 |
166 |
621 |
|
|
3 |
A' |
3013 |
2820 |
0.936 |
166 |
622 |
|
|
4 |
A' |
1767 |
1623 |
0.919 |
166 |
623 |
|
|
5 |
A' |
1604 |
1473 |
0.918 |
166 |
624 |
|
|
6 |
A' |
1532 |
1430 |
0.934 |
166 |
625 |
|
|
7 |
A' |
1205 |
1130 |
0.937 |
166 |
626 |
|
|
8 |
A' |
1042 |
1044 |
1.002 |
166 |
627 |
|
|
9 |
A' |
793 |
780 |
0.983 |
166 |
628 |
|
|
10 |
A" |
3544 |
3427 |
0.967 |
166 |
629 |
|
|
11 |
A" |
3166 |
2985 |
0.943 |
166 |
630 |
|
|
12 |
A" |
1628 |
1485 |
0.912 |
166 |
631 |
|
|
13 |
A" |
1399 |
1335 |
0.954 |
166 |
632 |
|
|
14 |
A" |
1004 |
|
|
166 |
633 |
|
|
15 |
A" |
337 |
268 |
0.794 |
166 |
634 |
C3H3N |
acrylonitrile |
1 |
A' |
3283 |
3125 |
0.952 |
167 |
635 |
|
|
2 |
A' |
3212 |
3078 |
0.958 |
167 |
636 |
|
|
3 |
A' |
3189 |
3042 |
0.954 |
167 |
637 |
|
|
4 |
A' |
2138 |
2239 |
1.047 |
167 |
638 |
|
|
5 |
A' |
1666 |
1615 |
0.969 |
167 |
639 |
|
|
6 |
A' |
1519 |
1416 |
0.932 |
167 |
640 |
|
|
7 |
A' |
1381 |
1282 |
0.929 |
167 |
641 |
|
|
8 |
A' |
1162 |
1096 |
0.943 |
167 |
642 |
|
|
9 |
A' |
863 |
869 |
1.006 |
167 |
643 |
|
|
10 |
A' |
612 |
570 |
0.932 |
167 |
644 |
|
|
11 |
A' |
261 |
242 |
0.927 |
167 |
645 |
|
|
12 |
A" |
1033 |
972 |
0.941 |
167 |
646 |
|
|
13 |
A" |
986 |
954 |
0.967 |
167 |
647 |
|
|
14 |
A" |
750 |
683 |
0.910 |
167 |
648 |
|
|
15 |
A" |
379 |
362 |
0.955 |
167 |
649 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3195 |
3014 |
0.943 |
168 |
650 |
|
|
2 |
A' |
3087 |
2923 |
0.947 |
168 |
651 |
|
|
3 |
A' |
2967 |
2716 |
0.915 |
168 |
652 |
|
|
4 |
A' |
1658 |
1743 |
1.051 |
168 |
653 |
|
|
5 |
A' |
1560 |
1433 |
0.918 |
168 |
654 |
|
|
6 |
A' |
1475 |
1395 |
0.946 |
168 |
655 |
|
|
7 |
A' |
1463 |
1352 |
0.924 |
168 |
656 |
|
|
8 |
A' |
1147 |
1114 |
0.971 |
168 |
657 |
|
|
9 |
A' |
882 |
867 |
0.982 |
168 |
658 |
|
|
10 |
A' |
494 |
509 |
1.030 |
168 |
659 |
|
|
11 |
A" |
3153 |
2964 |
0.940 |
168 |
660 |
|
|
12 |
A" |
1580 |
1431 |
0.906 |
168 |
661 |
|
|
13 |
A" |
1185 |
1102 |
0.930 |
168 |
662 |
|
|
14 |
A" |
831 |
764 |
0.920 |
168 |
663 |
|
|
15 |
A" |
171 |
150 |
0.875 |
168 |
664 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3184 |
3006 |
0.944 |
169 |
665 |
|
|
2 |
A1 |
1605 |
1467 |
0.914 |
169 |
666 |
|
|
3 |
A1 |
1227 |
1267 |
1.033 |
169 |
667 |
|
|
4 |
A1 |
1141 |
1146 |
1.004 |
169 |
668 |
|
|
5 |
A1 |
811 |
857 |
1.056 |
169 |
669 |
|
|
6 |
A2 |
3264 |
3063 |
0.938 |
169 |
670 |
|
|
7 |
A2 |
1224 |
1050 |
0.858 |
169 |
671 |
|
|
8 |
A2 |
1009 |
1020 |
1.011 |
169 |
672 |
|
|
9 |
B1 |
3283 |
3065 |
0.933 |
169 |
673 |
|
|
10 |
B1 |
1122 |
1146 |
1.021 |
169 |
674 |
|
|
11 |
B1 |
861 |
797 |
0.925 |
169 |
675 |
|
|
12 |
B2 |
3173 |
3006 |
0.947 |
169 |
676 |
|
|
13 |
B2 |
1591 |
1459 |
0.917 |
169 |
677 |
|
|
14 |
B2 |
1148 |
1159 |
1.009 |
169 |
678 |
|
|
15 |
B2 |
759 |
824 |
1.085 |
169 |
679 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3227 |
3043 |
0.943 |
170 |
680 |
|
|
2 |
A' |
3117 |
2955 |
0.948 |
170 |
681 |
|
|
3 |
A' |
1804 |
1870 |
1.037 |
170 |
682 |
|
|
4 |
A' |
1573 |
1440 |
0.916 |
170 |
683 |
|
|
5 |
A' |
1488 |
1378 |
0.926 |
170 |
684 |
|
|
6 |
A' |
1246 |
1188 |
0.954 |
170 |
685 |
|
|
7 |
A' |
1042 |
1000 |
0.960 |
170 |
686 |
|
|
8 |
A' |
828 |
826 |
0.998 |
170 |
687 |
|
|
9 |
A' |
588 |
598 |
1.016 |
170 |
688 |
|
|
10 |
A' |
392 |
420 |
1.071 |
170 |
689 |
|
|
11 |
A" |
3184 |
3004 |
0.943 |
170 |
690 |
|
|
12 |
A" |
1581 |
1437 |
0.909 |
170 |
691 |
|
|
13 |
A" |
1135 |
1054 |
0.929 |
170 |
692 |
|
|
14 |
A" |
575 |
567 |
0.987 |
170 |
693 |
|
|
15 |
A" |
148 |
123 |
0.830 |
170 |
694 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
697 |
774 |
1.109 |
171 |
695 |
|
|
2 |
Eg |
692 |
642 |
0.928 |
171 |
696 |
|
|
3 |
T1u |
1017 |
948 |
0.932 |
171 |
697 |
|
|
4 |
T1u |
475 |
616 |
1.296 |
171 |
698 |
|
|
5 |
T2g |
403 |
525 |
1.304 |
171 |
699 |
|
|
6 |
T2u |
262 |
347 |
1.323 |
171 |
700 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3202 |
3027 |
0.945 |
172 |
701 |
|
|
2 |
A' |
3109 |
2948 |
0.948 |
172 |
702 |
|
|
3 |
A' |
1837 |
1818 |
0.990 |
172 |
703 |
|
|
4 |
A' |
1559 |
1415 |
0.908 |
172 |
704 |
|
|
5 |
A' |
1479 |
1368 |
0.925 |
172 |
705 |
|
|
6 |
A' |
1142 |
1108 |
0.971 |
172 |
706 |
|
|
7 |
A' |
917 |
956 |
1.042 |
172 |
707 |
|
|
8 |
A' |
526 |
604 |
1.149 |
172 |
708 |
|
|
9 |
A' |
358 |
445 |
1.243 |
172 |
709 |
|
|
10 |
A' |
320 |
348 |
1.088 |
172 |
710 |
|
|
11 |
A" |
3196 |
2990 |
0.936 |
172 |
711 |
|
|
12 |
A" |
1565 |
1431 |
0.914 |
172 |
712 |
|
|
13 |
A" |
1124 |
1032 |
0.918 |
172 |
713 |
|
|
14 |
A" |
504 |
518 |
1.028 |
172 |
714 |
|
|
15 |
A" |
180 |
166 |
0.920 |
172 |
715 |
C2H6 |
Ethane |
1 |
A1g |
3091 |
2954 |
0.956 |
173 |
716 |
|
|
2 |
A1g |
1499 |
1388 |
0.926 |
173 |
717 |
|
|
3 |
A1g |
976 |
995 |
1.020 |
173 |
718 |
|
|
4 |
A1u |
323 |
289 |
0.895 |
173 |
719 |
|
|
5 |
A2u |
3093 |
2896 |
0.936 |
173 |
720 |
|
|
6 |
A2u |
1504 |
1379 |
0.917 |
173 |
721 |
|
|
7 |
Eg |
3150 |
2969 |
0.943 |
173 |
722 |
|
|
8 |
Eg |
1608 |
1468 |
0.913 |
173 |
723 |
|
|
9 |
Eg |
1296 |
1190 |
0.918 |
173 |
724 |
|
|
10 |
Eu |
3173 |
2985 |
0.941 |
173 |
725 |
|
|
11 |
Eu |
1611 |
1469 |
0.912 |
173 |
726 |
|
|
12 |
Eu |
875 |
822 |
0.940 |
173 |
727 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3088 |
2898 |
0.939 |
174 |
728 |
|
|
2 |
A1 |
2198 |
2166 |
0.985 |
174 |
729 |
|
|
3 |
A1 |
1412 |
1260 |
0.892 |
174 |
730 |
|
|
4 |
A1 |
949 |
940 |
0.991 |
174 |
731 |
|
|
5 |
A1 |
691 |
700 |
1.014 |
174 |
732 |
|
|
6 |
A2 |
186 |
187 |
1.007 |
174 |
733 |
|
|
7 |
E |
3170 |
2982 |
0.941 |
174 |
734 |
|
|
8 |
E |
2198 |
2169 |
0.987 |
174 |
735 |
|
|
9 |
E |
1565 |
1403 |
0.896 |
174 |
736 |
|
|
10 |
E |
979 |
980 |
1.001 |
174 |
737 |
|
|
11 |
E |
961 |
868 |
0.904 |
174 |
738 |
|
|
12 |
E |
538 |
540 |
1.004 |
174 |
739 |
Si2H6 |
disilane |
1 |
A1g |
2205 |
2152 |
0.976 |
175 |
740 |
|
|
2 |
A1g |
922 |
909 |
0.986 |
175 |
741 |
|
|
3 |
A1g |
395 |
434 |
1.098 |
175 |
742 |
|
|
4 |
A1u |
127 |
131 |
1.029 |
175 |
743 |
|
|
5 |
A2u |
2194 |
2154 |
0.982 |
175 |
744 |
|
|
6 |
A2u |
850 |
844 |
0.992 |
175 |
745 |
|
|
7 |
Eg |
2208 |
2155 |
0.976 |
175 |
746 |
|
|
8 |
Eg |
950 |
929 |
0.978 |
175 |
747 |
|
|
9 |
Eg |
641 |
625 |
0.975 |
175 |
748 |
|
|
10 |
Eu |
2215 |
2179 |
0.983 |
175 |
749 |
|
|
11 |
Eu |
964 |
940 |
0.975 |
175 |
750 |
|
|
12 |
Eu |
380 |
379 |
0.998 |
175 |
751 |
C2H5N |
Aziridine |
1 |
A' |
3358 |
3338 |
0.994 |
176 |
752 |
|
|
2 |
A' |
3297 |
3079 |
0.934 |
176 |
753 |
|
|
3 |
A' |
3194 |
3015 |
0.944 |
176 |
754 |
|
|
4 |
A' |
1590 |
1482 |
0.932 |
176 |
755 |
|
|
5 |
A' |
1325 |
1237 |
0.934 |
176 |
756 |
|
|
6 |
A' |
1193 |
1211 |
1.015 |
176 |
757 |
|
|
7 |
A' |
1102 |
1090 |
0.989 |
176 |
758 |
|
|
8 |
A' |
1020 |
998 |
0.979 |
176 |
759 |
|
|
9 |
A' |
858 |
856 |
0.998 |
176 |
760 |
|
|
10 |
A' |
712 |
773 |
1.086 |
176 |
761 |
|
|
11 |
A" |
3283 |
3079 |
0.938 |
176 |
762 |
|
|
12 |
A" |
3186 |
3015 |
0.946 |
176 |
763 |
|
|
13 |
A" |
1579 |
1463 |
0.926 |
176 |
764 |
|
|
14 |
A" |
1297 |
1268 |
0.978 |
176 |
765 |
|
|
15 |
A" |
1206 |
1131 |
0.938 |
176 |
766 |
|
|
16 |
A" |
1145 |
1095 |
0.956 |
176 |
767 |
|
|
17 |
A" |
915 |
904 |
0.988 |
176 |
768 |
|
|
18 |
A" |
763 |
817 |
1.070 |
176 |
769 |
CH3COOH |
Acetic acid |
1 |
A' |
3502 |
3583 |
1.023 |
177 |
770 |
|
|
2 |
A' |
3219 |
3051 |
0.948 |
177 |
771 |
|
|
3 |
A' |
3116 |
2944 |
0.945 |
177 |
772 |
|
|
4 |
A' |
1753 |
1788 |
1.020 |
177 |
773 |
|
|
5 |
A' |
1575 |
1430 |
0.908 |
177 |
774 |
|
|
6 |
A' |
1479 |
1382 |
0.934 |
177 |
775 |
|
|
7 |
A' |
1389 |
1264 |
0.910 |
177 |
776 |
|
|
8 |
A' |
1186 |
1182 |
0.997 |
177 |
777 |
|
|
9 |
A' |
1010 |
989 |
0.979 |
177 |
778 |
|
|
10 |
A' |
830 |
847 |
1.020 |
177 |
779 |
|
|
11 |
A' |
567 |
657 |
1.159 |
177 |
780 |
|
|
12 |
A' |
408 |
|
|
177 |
781 |
|
|
13 |
A" |
3187 |
2996 |
0.940 |
177 |
782 |
|
|
14 |
A" |
1582 |
1430 |
0.904 |
177 |
783 |
|
|
15 |
A" |
1132 |
1048 |
0.926 |
177 |
784 |
|
|
16 |
A" |
662 |
642 |
0.970 |
177 |
785 |
|
|
17 |
A" |
554 |
534 |
0.964 |
177 |
786 |
|
|
18 |
A" |
112 |
93 |
0.832 |
177 |
787 |
CH3OCHO |
methyl formate |
1 |
A' |
3230 |
3045 |
0.943 |
178 |
788 |
|
|
2 |
A' |
3125 |
2969 |
0.950 |
178 |
789 |
|
|
3 |
A' |
3108 |
2943 |
0.947 |
178 |
790 |
|
|
4 |
A' |
1678 |
1754 |
1.045 |
178 |
791 |
|
|
5 |
A' |
1601 |
1454 |
0.908 |
178 |
792 |
|
|
6 |
A' |
1517 |
1445 |
0.952 |
178 |
793 |
|
|
7 |
A' |
1439 |
1371 |
0.953 |
178 |
794 |
|
|
8 |
A' |
1208 |
1207 |
0.999 |
178 |
795 |
|
|
9 |
A' |
1161 |
1166 |
1.005 |
178 |
796 |
|
|
10 |
A' |
898 |
925 |
1.030 |
178 |
797 |
|
|
11 |
A' |
755 |
767 |
1.016 |
178 |
798 |
|
|
12 |
A' |
289 |
318 |
1.102 |
178 |
799 |
|
|
13 |
A" |
3181 |
3012 |
0.947 |
178 |
800 |
|
|
14 |
A" |
1589 |
1443 |
0.908 |
178 |
801 |
|
|
15 |
A" |
1192 |
1168 |
0.980 |
178 |
802 |
|
|
16 |
A" |
1054 |
1032 |
0.979 |
178 |
803 |
|
|
17 |
A" |
331 |
332 |
1.003 |
178 |
804 |
|
|
18 |
A" |
92 |
130 |
1.412 |
178 |
805 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1405 |
1420 |
1.011 |
179 |
806 |
|
|
2 |
A1g |
774 |
809 |
1.045 |
179 |
807 |
|
|
3 |
A1g |
347 |
349 |
1.006 |
179 |
808 |
|
|
4 |
A1u |
62 |
68 |
1.093 |
179 |
809 |
|
|
5 |
A2u |
1143 |
1117 |
0.977 |
179 |
810 |
|
|
6 |
A2u |
666 |
714 |
1.072 |
179 |
811 |
|
|
7 |
Eg |
1298 |
1237 |
0.953 |
179 |
812 |
|
|
8 |
Eg |
607 |
620 |
1.021 |
179 |
813 |
|
|
9 |
Eg |
365 |
380 |
1.042 |
179 |
814 |
|
|
10 |
Eu |
1328 |
1251 |
0.942 |
179 |
815 |
|
|
11 |
Eu |
501 |
523 |
1.042 |
179 |
816 |
|
|
12 |
Eu |
205 |
216 |
1.055 |
179 |
817 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3176 |
2967 |
0.934 |
180 |
818 |
|
|
2 |
A' |
3163 |
2946 |
0.931 |
180 |
819 |
|
|
3 |
A' |
3094 |
2881 |
0.931 |
180 |
820 |
|
|
4 |
A' |
1601 |
1463 |
0.914 |
180 |
821 |
|
|
5 |
A' |
1577 |
1448 |
0.918 |
180 |
822 |
|
|
6 |
A' |
1503 |
1385 |
0.921 |
180 |
823 |
|
|
7 |
A' |
1358 |
1289 |
0.949 |
180 |
824 |
|
|
8 |
A' |
1115 |
1081 |
0.969 |
180 |
825 |
|
|
9 |
A' |
992 |
974 |
0.982 |
180 |
826 |
|
|
10 |
A' |
616 |
677 |
1.099 |
180 |
827 |
|
|
11 |
A' |
326 |
336 |
1.030 |
180 |
828 |
|
|
12 |
A" |
3245 |
3014 |
0.929 |
180 |
829 |
|
|
13 |
A" |
3188 |
2986 |
0.937 |
180 |
830 |
|
|
14 |
A" |
1589 |
1448 |
0.911 |
180 |
831 |
|
|
15 |
A" |
1338 |
1251 |
0.935 |
180 |
832 |
|
|
16 |
A" |
1098 |
974 |
0.887 |
180 |
833 |
|
|
17 |
A" |
821 |
786 |
0.957 |
180 |
834 |
|
|
18 |
A" |
267 |
251 |
0.939 |
180 |
835 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3182 |
2957 |
0.929 |
181 |
836 |
|
|
1 |
A |
3234 |
3005 |
0.929 |
181 |
837 |
|
|
2 |
A |
3163 |
2957 |
0.935 |
181 |
838 |
|
|
2 |
Ag |
1572 |
1445 |
0.919 |
181 |
839 |
|
|
3 |
Ag |
1366 |
1304 |
0.955 |
181 |
840 |
|
|
3 |
A |
1554 |
1433 |
0.922 |
181 |
841 |
|
|
4 |
A |
1381 |
1315 |
0.952 |
181 |
842 |
|
|
4 |
Ag |
1062 |
1052 |
0.991 |
181 |
843 |
|
|
5 |
Ag |
707 |
754 |
1.066 |
181 |
844 |
|
|
5 |
A |
1248 |
1207 |
0.967 |
181 |
845 |
|
|
6 |
A |
1050 |
1027 |
0.978 |
181 |
846 |
|
|
6 |
Ag |
284 |
300 |
1.058 |
181 |
847 |
|
|
7 |
Au |
3274 |
3005 |
0.918 |
181 |
848 |
|
|
7 |
A |
954 |
948 |
0.994 |
181 |
849 |
|
|
8 |
A |
607 |
669 |
1.102 |
181 |
850 |
|
|
8 |
Au |
1168 |
1123 |
0.962 |
181 |
851 |
|
|
9 |
Au |
802 |
773 |
0.964 |
181 |
852 |
|
|
9 |
A |
262 |
272 |
1.039 |
181 |
853 |
|
|
10 |
A |
108 |
125 |
1.160 |
181 |
854 |
|
|
10 |
Au |
115 |
123 |
1.069 |
181 |
855 |
|
|
11 |
Bg |
3253 |
3005 |
0.924 |
181 |
856 |
|
|
11 |
B |
3245 |
3005 |
0.926 |
181 |
857 |
|
|
12 |
B |
3158 |
2957 |
0.936 |
181 |
858 |
|
|
12 |
Bg |
1360 |
1264 |
0.929 |
181 |
859 |
|
|
13 |
Bg |
994 |
989 |
0.995 |
181 |
860 |
|
|
13 |
B |
1557 |
1436 |
0.922 |
181 |
861 |
|
|
14 |
B |
1363 |
1292 |
0.948 |
181 |
862 |
|
|
14 |
Bu |
3190 |
2983 |
0.935 |
181 |
863 |
|
|
15 |
Bu |
1573 |
1461 |
0.929 |
181 |
864 |
|
|
15 |
B |
1191 |
1146 |
0.962 |
181 |
865 |
|
|
16 |
B |
900 |
890 |
0.989 |
181 |
866 |
|
|
16 |
Bu |
1291 |
1232 |
0.954 |
181 |
867 |
|
|
17 |
Bu |
661 |
728 |
1.102 |
181 |
868 |
|
|
17 |
B |
636 |
693 |
1.089 |
181 |
869 |
|
|
18 |
B |
401 |
410 |
1.022 |
181 |
870 |
|
|
18 |
Bu |
207 |
222 |
1.072 |
181 |
871 |
C3H6 |
Cyclopropane |
1 |
A1' |
3214 |
3038 |
0.945 |
182 |
872 |
|
|
2 |
A1' |
1585 |
1479 |
0.933 |
182 |
873 |
|
|
3 |
A1' |
1153 |
1188 |
1.030 |
182 |
874 |
|
|
4 |
A1" |
1216 |
1126 |
0.926 |
182 |
875 |
|
|
5 |
A2' |
1171 |
1070 |
0.914 |
182 |
876 |
|
|
6 |
A2" |
3312 |
3103 |
0.937 |
182 |
877 |
|
|
7 |
A2" |
888 |
854 |
0.962 |
182 |
878 |
|
|
8 |
E' |
3205 |
3025 |
0.944 |
182 |
879 |
|
|
9 |
E' |
1564 |
1438 |
0.919 |
182 |
880 |
|
|
10 |
E' |
1148 |
1029 |
0.896 |
182 |
881 |
|
|
11 |
E' |
857 |
866 |
1.011 |
182 |
882 |
|
|
12 |
E" |
3289 |
3082 |
0.937 |
182 |
883 |
|
|
13 |
E" |
1259 |
1188 |
0.944 |
182 |
884 |
|
|
14 |
E" |
794 |
739 |
0.931 |
182 |
885 |
CH2CHCH3 |
Propene |
1 |
A' |
3258 |
3090 |
0.948 |
183 |
886 |
|
|
2 |
A' |
3182 |
3013 |
0.947 |
183 |
887 |
|
|
3 |
A' |
3169 |
2991 |
0.944 |
183 |
888 |
|
|
4 |
A' |
3149 |
2954 |
0.938 |
183 |
889 |
|
|
5 |
A' |
3075 |
2871 |
0.934 |
183 |
890 |
|
|
6 |
A' |
1701 |
1650 |
0.970 |
183 |
891 |
|
|
7 |
A' |
1600 |
1470 |
0.919 |
183 |
892 |
|
|
8 |
A' |
1531 |
1420 |
0.928 |
183 |
893 |
|
|
9 |
A' |
1494 |
1378 |
0.922 |
183 |
894 |
|
|
10 |
A' |
1386 |
1297 |
0.936 |
183 |
895 |
|
|
11 |
A' |
1235 |
1171 |
0.948 |
183 |
896 |
|
|
12 |
A' |
1010 |
963 |
0.953 |
183 |
897 |
|
|
13 |
A' |
911 |
920 |
1.010 |
183 |
898 |
|
|
14 |
A' |
444 |
428 |
0.965 |
183 |
899 |
|
|
15 |
A" |
3138 |
2954 |
0.942 |
183 |
900 |
|
|
16 |
A" |
1586 |
1443 |
0.910 |
183 |
901 |
|
|
17 |
A" |
1136 |
1045 |
0.920 |
183 |
902 |
|
|
18 |
A" |
1054 |
991 |
0.940 |
183 |
903 |
|
|
19 |
A" |
961 |
912 |
0.949 |
183 |
904 |
|
|
20 |
A" |
598 |
578 |
0.966 |
183 |
905 |
|
|
21 |
A" |
189 |
174 |
0.923 |
183 |
906 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3179 |
2996 |
0.942 |
184 |
907 |
|
|
2 |
A1 |
3039 |
2817 |
0.927 |
184 |
908 |
|
|
3 |
A1 |
1623 |
1464 |
0.902 |
184 |
909 |
|
|
4 |
A1 |
1559 |
1452 |
0.931 |
184 |
910 |
|
|
5 |
A1 |
1267 |
1244 |
0.982 |
184 |
911 |
|
|
6 |
A1 |
877 |
928 |
1.058 |
184 |
912 |
|
|
7 |
A1 |
406 |
418 |
1.029 |
184 |
913 |
|
|
8 |
A2 |
3083 |
2952 |
0.958 |
184 |
914 |
|
|
9 |
A2 |
1587 |
1464 |
0.923 |
184 |
915 |
|
|
10 |
A2 |
1177 |
1150 |
0.977 |
184 |
916 |
|
|
11 |
A2 |
245 |
203 |
0.827 |
184 |
917 |
|
|
12 |
B1 |
3081 |
2925 |
0.949 |
184 |
918 |
|
|
13 |
B1 |
1594 |
1464 |
0.918 |
184 |
919 |
|
|
14 |
B1 |
1208 |
1179 |
0.976 |
184 |
920 |
|
|
15 |
B1 |
248 |
242 |
0.976 |
184 |
921 |
|
|
16 |
B2 |
3176 |
2996 |
0.943 |
184 |
922 |
|
|
17 |
B2 |
3033 |
2817 |
0.929 |
184 |
923 |
|
|
18 |
B2 |
1610 |
1464 |
0.909 |
184 |
924 |
|
|
19 |
B2 |
1516 |
1452 |
0.958 |
184 |
925 |
|
|
20 |
B2 |
1176 |
1227 |
1.043 |
184 |
926 |
|
|
21 |
B2 |
1087 |
1102 |
1.014 |
184 |
927 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3167 |
2966 |
0.937 |
185 |
928 |
|
|
1 |
A |
3204 |
2980 |
0.930 |
185 |
929 |
|
|
2 |
A |
3173 |
2967 |
0.935 |
185 |
930 |
|
|
2 |
A' |
3140 |
2872 |
0.915 |
185 |
931 |
|
|
3 |
A' |
3094 |
2872 |
0.928 |
185 |
932 |
|
|
3 |
A |
3154 |
2930 |
0.929 |
185 |
933 |
|
|
4 |
A |
3139 |
2902 |
0.925 |
185 |
934 |
|
|
4 |
A' |
2466 |
2580 |
1.046 |
185 |
935 |
|
|
5 |
A' |
1604 |
1453 |
0.906 |
185 |
936 |
|
|
5 |
A |
3086 |
2875 |
0.932 |
185 |
937 |
|
|
6 |
A |
2466 |
2591 |
1.051 |
185 |
938 |
|
|
6 |
A' |
1577 |
1453 |
0.921 |
185 |
939 |
|
|
7 |
A' |
1502 |
1385 |
0.922 |
185 |
940 |
|
|
7 |
A |
1600 |
1462 |
0.914 |
185 |
941 |
|
|
8 |
A |
1595 |
1452 |
0.910 |
185 |
942 |
|
|
8 |
A' |
1364 |
1309 |
0.960 |
185 |
943 |
|
|
9 |
A' |
1134 |
1097 |
0.967 |
185 |
944 |
|
|
9 |
A |
1571 |
1437 |
0.915 |
185 |
945 |
|
|
10 |
A |
1502 |
1377 |
0.917 |
185 |
946 |
|
|
10 |
A' |
1003 |
978 |
0.975 |
185 |
947 |
|
|
11 |
A' |
841 |
870 |
1.035 |
185 |
948 |
|
|
11 |
A |
1365 |
1269 |
0.929 |
185 |
949 |
|
|
12 |
A |
1349 |
1246 |
0.923 |
185 |
950 |
|
|
12 |
A' |
629 |
660 |
1.049 |
185 |
951 |
|
|
13 |
A' |
309 |
332 |
1.074 |
185 |
952 |
|
|
13 |
A |
1154 |
1093 |
0.947 |
185 |
953 |
|
|
14 |
A |
1103 |
1051 |
0.953 |
185 |
954 |
|
|
14 |
A" |
3207 |
2966 |
0.925 |
185 |
955 |
|
|
15 |
A" |
3171 |
2930 |
0.924 |
185 |
956 |
|
|
15 |
A |
994 |
970 |
0.976 |
185 |
957 |
|
|
16 |
A |
891 |
867 |
0.973 |
185 |
958 |
|
|
16 |
A" |
1597 |
1453 |
0.910 |
185 |
959 |
|
|
17 |
A" |
1344 |
1269 |
0.944 |
185 |
960 |
|
|
17 |
A |
753 |
735 |
0.976 |
185 |
961 |
|
|
18 |
A |
620 |
658 |
1.061 |
185 |
962 |
|
|
18 |
A" |
1089 |
1049 |
0.963 |
185 |
963 |
|
|
19 |
A" |
822 |
745 |
0.907 |
185 |
964 |
|
|
19 |
A |
330 |
319 |
0.967 |
185 |
965 |
|
|
20 |
A |
269 |
|
|
185 |
966 |
|
|
21 |
A |
223 |
|
|
185 |
967 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3216 |
2997 |
0.932 |
186 |
968 |
|
|
2 |
A1 |
3112 |
2925 |
0.940 |
186 |
969 |
|
|
3 |
A1 |
1583 |
1447 |
0.914 |
186 |
970 |
|
|
4 |
A1 |
1443 |
1337 |
0.927 |
186 |
971 |
|
|
5 |
A1 |
1081 |
1030 |
0.953 |
186 |
972 |
|
|
6 |
A1 |
629 |
695 |
1.104 |
186 |
973 |
|
|
7 |
A1 |
245 |
280 |
1.144 |
186 |
974 |
|
|
8 |
A2 |
3211 |
2970 |
0.925 |
186 |
975 |
|
|
9 |
A2 |
1564 |
1427 |
0.912 |
186 |
976 |
|
|
10 |
A2 |
987 |
946 |
0.958 |
186 |
977 |
|
|
11 |
A2 |
169 |
175 |
1.033 |
186 |
978 |
|
|
12 |
B1 |
3207 |
2970 |
0.926 |
186 |
979 |
|
|
13 |
B1 |
1574 |
1439 |
0.914 |
186 |
980 |
|
|
14 |
B1 |
1017 |
973 |
0.957 |
186 |
981 |
|
|
15 |
B1 |
165 |
183 |
1.106 |
186 |
982 |
|
|
16 |
B2 |
3216 |
2999 |
0.932 |
186 |
983 |
|
|
17 |
B2 |
3116 |
2919 |
0.937 |
186 |
984 |
|
|
18 |
B2 |
1575 |
1442 |
0.916 |
186 |
985 |
|
|
19 |
B2 |
1417 |
1315 |
0.928 |
186 |
986 |
|
|
20 |
B2 |
961 |
903 |
0.940 |
186 |
987 |
|
|
21 |
B2 |
677 |
742 |
1.097 |
186 |
988 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3261 |
3087 |
0.947 |
187 |
989 |
|
|
2 |
Ag |
3174 |
3003 |
0.946 |
187 |
990 |
|
|
3 |
Ag |
3154 |
2992 |
0.949 |
187 |
991 |
|
|
4 |
Ag |
1694 |
1630 |
0.962 |
187 |
992 |
|
|
5 |
Ag |
1552 |
1438 |
0.927 |
187 |
993 |
|
|
6 |
Ag |
1364 |
1280 |
0.938 |
187 |
994 |
|
|
7 |
Ag |
1257 |
1196 |
0.951 |
187 |
995 |
|
|
8 |
Ag |
897 |
894 |
0.997 |
187 |
996 |
|
|
9 |
Ag |
537 |
512 |
0.953 |
187 |
997 |
|
|
10 |
Au |
1056 |
1013 |
0.959 |
187 |
998 |
|
|
11 |
Au |
947 |
908 |
0.958 |
187 |
999 |
|
|
12 |
Au |
528 |
522 |
0.989 |
187 |
1000 |
|
|
13 |
Au |
148 |
162 |
1.093 |
187 |
1001 |
|
|
14 |
Bg |
1007 |
976 |
0.969 |
187 |
1002 |
|
|
15 |
Bg |
947 |
912 |
0.963 |
187 |
1003 |
|
|
16 |
Bg |
776 |
770 |
0.992 |
187 |
1004 |
|
|
17 |
Bu |
3261 |
3101 |
0.951 |
187 |
1005 |
|
|
18 |
Bu |
3173 |
3055 |
0.963 |
187 |
1006 |
|
|
19 |
Bu |
3163 |
2984 |
0.943 |
187 |
1007 |
|
|
20 |
Bu |
1653 |
1596 |
0.966 |
187 |
1008 |
|
|
21 |
Bu |
1481 |
1381 |
0.933 |
187 |
1009 |
|
|
22 |
Bu |
1384 |
1294 |
0.935 |
187 |
1010 |
|
|
23 |
Bu |
1065 |
990 |
0.930 |
187 |
1011 |
|
|
24 |
Bu |
308 |
301 |
0.979 |
187 |
1012 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3080 |
2916 |
0.947 |
188 |
1013 |
|
|
2 |
A1' |
2286 |
2240 |
0.980 |
188 |
1014 |
|
|
3 |
A1' |
1502 |
1380 |
0.919 |
188 |
1015 |
|
|
4 |
A1' |
689 |
725 |
1.052 |
188 |
1016 |
|
|
6 |
A2" |
3080 |
2938 |
0.954 |
188 |
1017 |
|
|
7 |
A2" |
1495 |
1382 |
0.924 |
188 |
1018 |
|
|
8 |
A2" |
1123 |
1152 |
1.026 |
188 |
1019 |
|
|
9 |
E' |
3144 |
2973 |
0.946 |
188 |
1020 |
|
|
10 |
E' |
1591 |
1456 |
0.915 |
188 |
1021 |
|
|
11 |
E' |
1130 |
1054 |
0.932 |
188 |
1022 |
|
|
12 |
E' |
184 |
213 |
1.156 |
188 |
1023 |
|
|
13 |
E" |
3144 |
2966 |
0.943 |
188 |
1024 |
|
|
14 |
E" |
1590 |
1448 |
0.911 |
188 |
1025 |
|
|
15 |
E" |
1101 |
1029 |
0.935 |
188 |
1026 |
|
|
16 |
E" |
214 |
371 |
1.731 |
188 |
1027 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3176 |
3061 |
0.964 |
189 |
1028 |
|
|
2 |
A' |
3165 |
3010 |
0.951 |
189 |
1029 |
|
|
3 |
A' |
3161 |
2965 |
0.938 |
189 |
1030 |
|
|
4 |
A' |
3080 |
2905 |
0.943 |
189 |
1031 |
|
|
5 |
A' |
2037 |
1970 |
0.967 |
189 |
1032 |
|
|
6 |
A' |
1601 |
1453 |
0.907 |
189 |
1033 |
|
|
7 |
A' |
1558 |
1437 |
0.922 |
189 |
1034 |
|
|
8 |
A' |
1489 |
1389 |
0.933 |
189 |
1035 |
|
|
9 |
A' |
1422 |
1330 |
0.936 |
189 |
1036 |
|
|
10 |
A' |
1170 |
1132 |
0.968 |
189 |
1037 |
|
|
11 |
A' |
1129 |
1074 |
0.951 |
189 |
1038 |
|
|
12 |
A' |
940 |
876 |
0.932 |
189 |
1039 |
|
|
13 |
A' |
873 |
859 |
0.984 |
189 |
1040 |
|
|
14 |
A' |
571 |
555 |
0.972 |
189 |
1041 |
|
|
15 |
A' |
197 |
210 |
1.067 |
189 |
1042 |
|
|
16 |
A" |
3238 |
3061 |
0.945 |
189 |
1043 |
|
|
17 |
A" |
3143 |
2965 |
0.943 |
189 |
1044 |
|
|
18 |
A" |
1590 |
1453 |
0.914 |
189 |
1045 |
|
|
19 |
A" |
1131 |
1110 |
0.981 |
189 |
1046 |
|
|
20 |
A" |
1106 |
1011 |
0.914 |
189 |
1047 |
|
|
21 |
A" |
947 |
842 |
0.889 |
189 |
1048 |
|
|
22 |
A" |
557 |
523 |
0.939 |
189 |
1049 |
|
|
23 |
A" |
296 |
322 |
1.089 |
189 |
1050 |
C4H6 |
Cyclobutene |
1 |
A1 |
3270 |
3060 |
0.936 |
190 |
1051 |
|
|
2 |
A1 |
3124 |
2935 |
0.939 |
190 |
1052 |
|
|
3 |
A1 |
1593 |
1570 |
0.986 |
190 |
1053 |
|
|
4 |
A1 |
1553 |
1450 |
0.934 |
190 |
1054 |
|
|
5 |
A1 |
1242 |
1276 |
1.027 |
190 |
1055 |
|
|
6 |
A1 |
1148 |
1186 |
1.033 |
190 |
1056 |
|
|
7 |
A1 |
975 |
1113 |
1.141 |
190 |
1057 |
|
|
8 |
A1 |
828 |
886 |
1.070 |
190 |
1058 |
|
|
9 |
A2 |
3173 |
2955 |
0.931 |
190 |
1059 |
|
|
10 |
A2 |
1205 |
1276 |
1.059 |
190 |
1060 |
|
|
11 |
A2 |
1057 |
1081 |
1.022 |
190 |
1061 |
|
|
12 |
A2 |
919 |
850 |
0.924 |
190 |
1062 |
|
|
13 |
A2 |
301 |
325 |
1.079 |
190 |
1063 |
|
|
14 |
B1 |
3189 |
2955 |
0.927 |
190 |
1064 |
|
|
15 |
B1 |
1147 |
1074 |
0.936 |
190 |
1065 |
|
|
16 |
B1 |
904 |
846 |
0.936 |
190 |
1066 |
|
|
17 |
B1 |
676 |
635 |
0.940 |
190 |
1067 |
|
|
18 |
B2 |
3233 |
3047 |
0.943 |
190 |
1068 |
|
|
19 |
B2 |
3117 |
2916 |
0.935 |
190 |
1069 |
|
|
20 |
B2 |
1561 |
1427 |
0.914 |
190 |
1070 |
|
|
21 |
B2 |
1339 |
1294 |
0.967 |
190 |
1071 |
|
|
22 |
B2 |
1274 |
1214 |
0.953 |
190 |
1072 |
|
|
23 |
B2 |
885 |
888 |
1.003 |
190 |
1073 |
|
|
24 |
B2 |
844 |
740 |
0.877 |
190 |
1074 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3189 |
3010 |
0.944 |
191 |
1075 |
|
|
2 |
A1 |
3166 |
3002 |
0.948 |
191 |
1076 |
|
|
3 |
A1 |
1821 |
1743 |
0.957 |
191 |
1077 |
|
|
4 |
A1 |
1565 |
1437 |
0.918 |
191 |
1078 |
|
|
5 |
A1 |
1537 |
1410 |
0.917 |
191 |
1079 |
|
|
6 |
A1 |
1121 |
1036 |
0.925 |
191 |
1080 |
|
|
7 |
A1 |
1000 |
1002 |
1.002 |
191 |
1081 |
|
|
8 |
A1 |
701 |
723 |
1.032 |
191 |
1082 |
|
|
9 |
A2 |
3269 |
3051 |
0.933 |
191 |
1083 |
|
|
10 |
A2 |
1207 |
1144 |
0.948 |
191 |
1084 |
|
|
11 |
A2 |
1018 |
937 |
0.921 |
191 |
1085 |
|
|
12 |
A2 |
658 |
616 |
0.936 |
191 |
1086 |
|
|
13 |
B1 |
3283 |
3071 |
0.936 |
191 |
1087 |
|
|
14 |
B1 |
1168 |
1072 |
0.918 |
191 |
1088 |
|
|
15 |
B1 |
953 |
889 |
0.932 |
191 |
1089 |
|
|
16 |
B1 |
802 |
748 |
0.933 |
191 |
1090 |
|
|
17 |
B1 |
320 |
360 |
1.125 |
191 |
1091 |
|
|
18 |
B2 |
3246 |
3086 |
0.951 |
191 |
1092 |
|
|
19 |
B2 |
3184 |
2999 |
0.942 |
191 |
1093 |
|
|
20 |
B2 |
1543 |
1353 |
0.877 |
191 |
1094 |
|
|
21 |
B2 |
1189 |
1174 |
0.987 |
191 |
1095 |
|
|
22 |
B2 |
1143 |
1125 |
0.984 |
191 |
1096 |
|
|
23 |
B2 |
899 |
792 |
0.881 |
191 |
1097 |
|
|
24 |
B2 |
383 |
290 |
0.758 |
191 |
1098 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3420 |
3345 |
0.978 |
192 |
1099 |
|
|
2 |
A' |
3154 |
2985 |
0.946 |
192 |
1100 |
|
|
3 |
A' |
3100 |
2840 |
0.916 |
192 |
1101 |
|
|
4 |
A' |
3077 |
2860 |
0.930 |
192 |
1102 |
|
|
5 |
A' |
1761 |
1622 |
0.921 |
192 |
1103 |
|
|
6 |
A' |
1603 |
1487 |
0.928 |
192 |
1104 |
|
|
7 |
A' |
1586 |
1465 |
0.924 |
192 |
1105 |
|
|
8 |
A' |
1485 |
1378 |
0.928 |
192 |
1106 |
|
|
9 |
A' |
1430 |
1397 |
0.977 |
192 |
1107 |
|
|
10 |
A' |
1186 |
1016 |
0.857 |
192 |
1108 |
|
|
11 |
A' |
1038 |
1086 |
1.046 |
192 |
1109 |
|
|
12 |
A' |
910 |
892 |
0.980 |
192 |
1110 |
|
|
13 |
A' |
798 |
773 |
0.968 |
192 |
1111 |
|
|
14 |
A' |
398 |
403 |
1.012 |
192 |
1112 |
|
|
15 |
A" |
3521 |
3412 |
0.969 |
192 |
1113 |
|
|
16 |
A" |
3161 |
2924 |
0.925 |
192 |
1114 |
|
|
17 |
A" |
3136 |
2906 |
0.927 |
192 |
1115 |
|
|
18 |
A" |
1601 |
1455 |
0.909 |
192 |
1116 |
|
|
19 |
A" |
1434 |
1238 |
0.863 |
192 |
1117 |
|
|
20 |
A" |
1336 |
1293 |
0.968 |
192 |
1118 |
|
|
21 |
A" |
1047 |
1117 |
1.067 |
192 |
1119 |
|
|
22 |
A" |
802 |
816 |
1.017 |
192 |
1120 |
|
|
23 |
A" |
321 |
259 |
0.806 |
192 |
1121 |
|
|
24 |
A" |
268 |
218 |
0.813 |
192 |
1122 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3237 |
3055 |
0.944 |
193 |
1123 |
|
|
2 |
Ag |
1538 |
1580 |
1.027 |
193 |
1124 |
|
|
3 |
Ag |
1272 |
1233 |
0.969 |
193 |
1125 |
|
|
4 |
Ag |
979 |
1016 |
1.038 |
193 |
1126 |
|
|
5 |
Ag |
626 |
602 |
0.961 |
193 |
1127 |
|
|
6 |
Au |
1018 |
960 |
0.943 |
193 |
1128 |
|
|
7 |
Au |
353 |
350 |
0.992 |
193 |
1129 |
|
|
8 |
B1g |
966 |
927 |
0.959 |
193 |
1130 |
|
|
9 |
B1u |
3213 |
3012 |
0.937 |
193 |
1131 |
|
|
10 |
B1u |
1504 |
1483 |
0.986 |
193 |
1132 |
|
|
11 |
B1u |
1157 |
1130 |
0.976 |
193 |
1133 |
|
|
12 |
B1u |
986 |
1018 |
1.033 |
193 |
1134 |
|
|
13 |
B2g |
1011 |
983 |
0.972 |
193 |
1135 |
|
|
14 |
B2g |
791 |
756 |
0.956 |
193 |
1136 |
|
|
15 |
B2u |
3229 |
3069 |
0.951 |
193 |
1137 |
|
|
16 |
B2u |
1443 |
1411 |
0.978 |
193 |
1138 |
|
|
17 |
B2u |
1153 |
1149 |
0.996 |
193 |
1139 |
|
|
18 |
B2u |
1048 |
1063 |
1.014 |
193 |
1140 |
|
|
19 |
B3g |
3209 |
3040 |
0.947 |
193 |
1141 |
|
|
20 |
B3g |
1468 |
1525 |
1.039 |
193 |
1142 |
|
|
21 |
B3g |
1383 |
1346 |
0.973 |
193 |
1143 |
|
|
22 |
B3g |
725 |
704 |
0.971 |
193 |
1144 |
|
|
23 |
B3u |
820 |
785 |
0.957 |
193 |
1145 |
|
|
24 |
B3u |
441 |
418 |
0.949 |
193 |
1146 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3509 |
3675 |
1.047 |
194 |
1147 |
|
|
2 |
A |
3262 |
3102 |
0.951 |
194 |
1148 |
|
|
3 |
A |
3208 |
3022 |
0.942 |
194 |
1149 |
|
|
4 |
A |
3172 |
2995 |
0.944 |
194 |
1150 |
|
|
5 |
A |
3062 |
2934 |
0.958 |
194 |
1151 |
|
|
6 |
A |
3028 |
2866 |
0.947 |
194 |
1152 |
|
|
7 |
A |
1698 |
1654 |
0.974 |
194 |
1153 |
|
|
8 |
A |
1617 |
1453 |
0.898 |
194 |
1154 |
|
|
9 |
A |
1537 |
1414 |
0.920 |
194 |
1155 |
|
|
10 |
A |
1480 |
1384 |
0.935 |
194 |
1156 |
|
|
11 |
A |
1363 |
1320 |
0.968 |
194 |
1157 |
|
|
12 |
A |
1301 |
1293 |
0.994 |
194 |
1158 |
|
|
13 |
A |
1272 |
1191 |
0.936 |
194 |
1159 |
|
|
14 |
A |
1179 |
1132 |
0.960 |
194 |
1160 |
|
|
15 |
A |
1052 |
1110 |
1.055 |
194 |
1161 |
|
|
16 |
A |
1042 |
1038 |
0.996 |
194 |
1162 |
|
|
17 |
A |
999 |
995 |
0.996 |
194 |
1163 |
|
|
18 |
A |
968 |
919 |
0.949 |
194 |
1164 |
|
|
19 |
A |
919 |
885 |
0.963 |
194 |
1165 |
|
|
20 |
A |
644 |
606 |
0.940 |
194 |
1166 |
|
|
22 |
A |
315 |
377 |
1.199 |
194 |
1167 |
|
|
23 |
A |
283 |
277 |
0.980 |
194 |
1168 |
|
|
24 |
A |
98 |
188 |
1.914 |
194 |
1169 |
CH3CH2CHO |
Propanal |
1 |
A' |
3178 |
2981 |
0.938 |
195 |
1170 |
|
|
2 |
A' |
3104 |
2904 |
0.936 |
195 |
1171 |
|
|
3 |
A' |
3079 |
2895 |
0.940 |
195 |
1172 |
|
|
4 |
A' |
2964 |
2809 |
0.948 |
195 |
1173 |
|
|
5 |
A' |
1643 |
1743 |
1.061 |
195 |
1174 |
|
|
6 |
A' |
1599 |
1460 |
0.913 |
195 |
1175 |
|
|
7 |
A' |
1556 |
1416 |
0.910 |
195 |
1176 |
|
|
8 |
A' |
1503 |
1390 |
0.925 |
195 |
1177 |
|
|
9 |
A' |
1459 |
1376 |
0.943 |
195 |
1178 |
|
|
10 |
A' |
1391 |
1335 |
0.960 |
195 |
1179 |
|
|
11 |
A' |
1132 |
1093 |
0.965 |
195 |
1180 |
|
|
12 |
A' |
1026 |
993 |
0.968 |
195 |
1181 |
|
|
13 |
A' |
848 |
848 |
1.000 |
195 |
1182 |
|
|
14 |
A' |
688 |
668 |
0.971 |
195 |
1183 |
|
|
15 |
A' |
276 |
271 |
0.984 |
195 |
1184 |
|
|
16 |
A" |
3182 |
2992 |
0.940 |
195 |
1185 |
|
|
17 |
A" |
3114 |
2942 |
0.945 |
195 |
1186 |
|
|
18 |
A" |
1603 |
1451 |
0.905 |
195 |
1187 |
|
|
19 |
A" |
1347 |
1250 |
0.928 |
195 |
1188 |
|
|
20 |
A" |
1200 |
1118 |
0.932 |
195 |
1189 |
|
|
21 |
A" |
950 |
892 |
0.939 |
195 |
1190 |
|
|
22 |
A" |
728 |
660 |
0.906 |
195 |
1191 |
|
|
23 |
A" |
239 |
220 |
0.922 |
195 |
1192 |
|
|
24 |
A" |
132 |
135 |
1.021 |
195 |
1193 |
C3H6O |
Oxetane |
1 |
A1 |
3141 |
2959 |
0.942 |
196 |
1194 |
|
|
2 |
A1 |
3118 |
2930 |
0.940 |
196 |
1195 |
|
|
3 |
A1 |
1634 |
1473 |
0.902 |
196 |
1196 |
|
|
4 |
A1 |
1572 |
1461 |
0.929 |
196 |
1197 |
|
|
5 |
A1 |
1389 |
1342 |
0.966 |
196 |
1198 |
|
|
6 |
A1 |
995 |
1134 |
1.140 |
196 |
1199 |
|
|
7 |
A1 |
844 |
1018 |
1.207 |
196 |
1200 |
|
|
8 |
A1 |
782 |
908 |
1.161 |
196 |
1201 |
|
|
9 |
A2 |
3170 |
3000 |
0.946 |
196 |
1202 |
|
|
10 |
A2 |
1296 |
1283 |
0.990 |
196 |
1203 |
|
|
11 |
A2 |
1151 |
1185 |
1.030 |
196 |
1204 |
|
|
12 |
A2 |
892 |
986 |
1.106 |
196 |
1205 |
|
|
13 |
B1 |
3208 |
3007 |
0.937 |
196 |
1206 |
|
|
14 |
B1 |
3167 |
2940 |
0.928 |
196 |
1207 |
|
|
15 |
B1 |
1232 |
1225 |
0.994 |
196 |
1208 |
|
|
16 |
B1 |
1111 |
1142 |
1.028 |
196 |
1209 |
|
|
17 |
B1 |
786 |
836 |
1.064 |
196 |
1210 |
|
|
18 |
B1 |
26 |
90 |
3.467 |
196 |
1211 |
|
|
19 |
B2 |
3112 |
2966 |
0.953 |
196 |
1212 |
|
|
20 |
B2 |
1607 |
1508 |
0.939 |
196 |
1213 |
|
|
21 |
B2 |
1330 |
1458 |
1.096 |
196 |
1214 |
|
|
22 |
B2 |
1309 |
1363 |
1.041 |
196 |
1215 |
|
|
23 |
B2 |
968 |
1228 |
1.268 |
196 |
1216 |
|
|
24 |
B2 |
910 |
936 |
1.028 |
196 |
1217 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3234 |
2990 |
0.924 |
197 |
1218 |
|
|
2 |
A |
3213 |
2983 |
0.929 |
197 |
1219 |
|
|
3 |
A |
3118 |
2913 |
0.934 |
197 |
1220 |
|
|
4 |
A |
1570 |
1426 |
0.908 |
197 |
1221 |
|
|
5 |
A |
1563 |
1419 |
0.908 |
197 |
1222 |
|
|
6 |
A |
1429 |
1311 |
0.918 |
197 |
1223 |
|
|
7 |
A |
1008 |
955 |
0.947 |
197 |
1224 |
|
|
8 |
A |
1007 |
949 |
0.942 |
197 |
1225 |
|
|
9 |
A |
642 |
694 |
1.081 |
197 |
1226 |
|
|
10 |
A |
417 |
509 |
1.221 |
197 |
1227 |
|
|
11 |
A |
195 |
240 |
1.229 |
197 |
1228 |
|
|
12 |
A |
138 |
134 |
0.973 |
197 |
1229 |
|
|
13 |
A |
79 |
117 |
1.486 |
197 |
1230 |
|
|
14 |
B |
3234 |
2990 |
0.924 |
197 |
1231 |
|
|
15 |
B |
3212 |
2983 |
0.929 |
197 |
1232 |
|
|
16 |
B |
3118 |
2915 |
0.935 |
197 |
1233 |
|
|
17 |
B |
1574 |
1430 |
0.908 |
197 |
1234 |
|
|
18 |
B |
1557 |
1415 |
0.909 |
197 |
1235 |
|
|
19 |
B |
1421 |
1303 |
0.917 |
197 |
1236 |
|
|
20 |
B |
1013 |
955 |
0.943 |
197 |
1237 |
|
|
21 |
B |
1004 |
949 |
0.945 |
197 |
1238 |
|
|
22 |
B |
639 |
691 |
1.082 |
197 |
1239 |
|
|
23 |
B |
229 |
274 |
1.198 |
197 |
1240 |
|
|
24 |
B |
151 |
134 |
0.887 |
197 |
1241 |
C3H8 |
Propane |
1 |
A1 |
3155 |
2977 |
0.943 |
198 |
1242 |
|
|
2 |
A1 |
3089 |
2962 |
0.959 |
198 |
1243 |
|
|
3 |
A1 |
3080 |
2887 |
0.937 |
198 |
1244 |
|
|
4 |
A1 |
1612 |
1476 |
0.916 |
198 |
1245 |
|
|
5 |
A1 |
1593 |
1462 |
0.918 |
198 |
1246 |
|
|
6 |
A1 |
1502 |
1392 |
0.926 |
198 |
1247 |
|
|
7 |
A1 |
1232 |
1158 |
0.940 |
198 |
1248 |
|
|
8 |
A1 |
866 |
869 |
1.004 |
198 |
1249 |
|
|
9 |
A1 |
383 |
369 |
0.963 |
198 |
1250 |
|
|
10 |
A2 |
3149 |
2967 |
0.942 |
198 |
1251 |
|
|
11 |
A2 |
1595 |
1451 |
0.909 |
198 |
1252 |
|
|
12 |
A2 |
1387 |
1278 |
0.921 |
198 |
1253 |
|
|
13 |
A2 |
974 |
940 |
0.965 |
198 |
1254 |
|
|
14 |
A2 |
238 |
216 |
0.907 |
198 |
1255 |
|
|
15 |
B1 |
3162 |
2973 |
0.940 |
198 |
1256 |
|
|
16 |
B1 |
3121 |
2968 |
0.951 |
198 |
1257 |
|
|
17 |
B1 |
1611 |
1472 |
0.914 |
198 |
1258 |
|
|
18 |
B1 |
1287 |
1192 |
0.926 |
198 |
1259 |
|
|
19 |
B1 |
785 |
748 |
0.953 |
198 |
1260 |
|
|
20 |
B1 |
284 |
268 |
0.942 |
198 |
1261 |
|
|
21 |
B2 |
3152 |
2968 |
0.942 |
198 |
1262 |
|
|
22 |
B2 |
3079 |
2887 |
0.938 |
198 |
1263 |
|
|
23 |
B2 |
1601 |
1464 |
0.915 |
198 |
1264 |
|
|
24 |
B2 |
1485 |
1378 |
0.928 |
198 |
1265 |
|
|
25 |
B2 |
1429 |
1338 |
0.936 |
198 |
1266 |
|
|
26 |
B2 |
1057 |
1054 |
0.997 |
198 |
1267 |
|
|
27 |
B2 |
976 |
922 |
0.945 |
198 |
1268 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3272 |
3091 |
0.945 |
199 |
1269 |
|
|
2 |
A1 |
3241 |
3075 |
0.949 |
199 |
1270 |
|
|
3 |
A1 |
3090 |
2886 |
0.934 |
199 |
1271 |
|
|
4 |
A1 |
1544 |
1500 |
0.972 |
199 |
1272 |
|
|
5 |
A1 |
1507 |
1378 |
0.914 |
199 |
1273 |
|
|
6 |
A1 |
1412 |
1365 |
0.967 |
199 |
1274 |
|
|
7 |
A1 |
1176 |
1106 |
0.940 |
199 |
1275 |
|
|
8 |
A1 |
974 |
994 |
1.021 |
199 |
1276 |
|
|
9 |
A1 |
892 |
915 |
1.026 |
199 |
1277 |
|
|
10 |
A1 |
844 |
802 |
0.950 |
199 |
1278 |
|
|
11 |
A2 |
1186 |
1100 |
0.927 |
199 |
1279 |
|
|
12 |
A2 |
904 |
941 |
1.041 |
199 |
1280 |
|
|
13 |
A2 |
721 |
700 |
0.971 |
199 |
1281 |
|
|
14 |
A2 |
524 |
516 |
0.984 |
199 |
1282 |
|
|
15 |
B1 |
3132 |
2900 |
0.926 |
199 |
1283 |
|
|
16 |
B1 |
972 |
925 |
0.951 |
199 |
1284 |
|
|
17 |
B1 |
933 |
891 |
0.955 |
199 |
1285 |
|
|
18 |
B1 |
680 |
664 |
0.976 |
199 |
1286 |
|
|
19 |
B1 |
357 |
350 |
0.982 |
199 |
1287 |
|
|
20 |
B2 |
3261 |
3105 |
0.952 |
199 |
1288 |
|
|
21 |
B2 |
3232 |
3043 |
0.941 |
199 |
1289 |
|
|
22 |
B2 |
1598 |
1580 |
0.988 |
199 |
1290 |
|
|
23 |
B2 |
1361 |
1292 |
0.949 |
199 |
1291 |
|
|
24 |
B2 |
1271 |
1239 |
0.975 |
199 |
1292 |
|
|
25 |
B2 |
1162 |
1090 |
0.938 |
199 |
1293 |
|
|
26 |
B2 |
963 |
959 |
0.996 |
199 |
1294 |
|
|
27 |
B2 |
837 |
805 |
0.962 |
199 |
1295 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3221 |
3035 |
0.942 |
200 |
1296 |
|
|
2 |
A' |
3215 |
3031 |
0.943 |
200 |
1297 |
|
|
3 |
A' |
3115 |
2966 |
0.952 |
200 |
1298 |
|
|
4 |
A' |
3105 |
2964 |
0.955 |
200 |
1299 |
|
|
5 |
A' |
1727 |
1771 |
1.026 |
200 |
1300 |
|
|
6 |
A' |
1603 |
1460 |
0.911 |
200 |
1301 |
|
|
7 |
A' |
1573 |
1440 |
0.915 |
200 |
1302 |
|
|
8 |
A' |
1523 |
1430 |
0.939 |
200 |
1303 |
|
|
9 |
A' |
1474 |
1375 |
0.933 |
200 |
1304 |
|
|
10 |
A' |
1257 |
1248 |
0.993 |
200 |
1305 |
|
|
11 |
A' |
1204 |
1159 |
0.963 |
200 |
1306 |
|
|
12 |
A' |
1078 |
1060 |
0.983 |
200 |
1307 |
|
|
13 |
A' |
974 |
980 |
1.006 |
200 |
1308 |
|
|
14 |
A' |
806 |
844 |
1.047 |
200 |
1309 |
|
|
15 |
A' |
633 |
639 |
1.010 |
200 |
1310 |
|
|
16 |
A' |
408 |
429 |
1.052 |
200 |
1311 |
|
|
17 |
A' |
270 |
303 |
1.124 |
200 |
1312 |
|
|
18 |
A" |
3186 |
3005 |
0.943 |
200 |
1313 |
|
|
19 |
A" |
3176 |
2994 |
0.943 |
200 |
1314 |
|
|
20 |
A" |
1588 |
1460 |
0.919 |
200 |
1315 |
|
|
21 |
A" |
1582 |
1430 |
0.904 |
200 |
1316 |
|
|
22 |
A" |
1190 |
1187 |
0.997 |
200 |
1317 |
|
|
23 |
A" |
1125 |
1036 |
0.921 |
200 |
1318 |
|
|
24 |
A" |
596 |
607 |
1.018 |
200 |
1319 |
|
|
25 |
A" |
174 |
187 |
1.077 |
200 |
1320 |
|
|
26 |
A" |
102 |
136 |
1.335 |
200 |
1321 |
|
|
27 |
A" |
90 |
110 |
1.216 |
200 |
1322 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3196 |
3005 |
0.940 |
201 |
1323 |
|
|
2 |
A' |
3175 |
2955 |
0.931 |
201 |
1324 |
|
|
3 |
A' |
3160 |
2927 |
0.926 |
201 |
1325 |
|
|
4 |
A' |
3089 |
2878 |
0.932 |
201 |
1326 |
|
|
5 |
A' |
1604 |
1472 |
0.918 |
201 |
1327 |
|
|
6 |
A' |
1594 |
1454 |
0.912 |
201 |
1328 |
|
|
7 |
A' |
1506 |
1390 |
0.923 |
201 |
1329 |
|
|
8 |
A' |
1330 |
1270 |
0.955 |
201 |
1330 |
|
|
9 |
A' |
1248 |
1163 |
0.932 |
201 |
1331 |
|
|
10 |
A' |
1120 |
1065 |
0.951 |
201 |
1332 |
|
|
11 |
A' |
892 |
888 |
0.995 |
201 |
1333 |
|
|
12 |
A' |
596 |
633 |
1.061 |
201 |
1334 |
|
|
13 |
A' |
424 |
418 |
0.987 |
201 |
1335 |
|
|
14 |
A' |
339 |
336 |
0.993 |
201 |
1336 |
|
|
15 |
A' |
281 |
253 |
0.901 |
201 |
1337 |
|
|
16 |
A" |
3183 |
2997 |
0.942 |
201 |
1338 |
|
|
17 |
A" |
3160 |
2985 |
0.945 |
201 |
1339 |
|
|
18 |
A" |
3086 |
2947 |
0.955 |
201 |
1340 |
|
|
19 |
A" |
1587 |
1472 |
0.928 |
201 |
1341 |
|
|
20 |
A" |
1582 |
1454 |
0.919 |
201 |
1342 |
|
|
21 |
A" |
1491 |
1377 |
0.923 |
201 |
1343 |
|
|
22 |
A" |
1424 |
1334 |
0.937 |
201 |
1344 |
|
|
23 |
A" |
1168 |
1123 |
0.962 |
201 |
1345 |
|
|
24 |
A" |
1014 |
972 |
0.958 |
201 |
1346 |
|
|
25 |
A" |
990 |
936 |
0.945 |
201 |
1347 |
|
|
26 |
A" |
318 |
317 |
0.997 |
201 |
1348 |
|
|
27 |
A" |
261 |
276 |
1.058 |
201 |
1349 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3166 |
2989 |
0.944 |
202 |
1350 |
|
|
2 |
A1 |
3154 |
2941 |
0.932 |
202 |
1351 |
|
|
3 |
A1 |
3071 |
2911 |
0.948 |
202 |
1352 |
|
|
4 |
A1 |
1716 |
1661 |
0.968 |
202 |
1353 |
|
|
5 |
A1 |
1601 |
1470 |
0.918 |
202 |
1354 |
|
|
6 |
A1 |
1523 |
1416 |
0.930 |
202 |
1355 |
|
|
7 |
A1 |
1496 |
1366 |
0.913 |
202 |
1356 |
|
|
8 |
A1 |
1134 |
1064 |
0.939 |
202 |
1357 |
|
|
9 |
A1 |
791 |
801 |
1.013 |
202 |
1358 |
|
|
10 |
A1 |
383 |
383 |
0.999 |
202 |
1359 |
|
|
11 |
A2 |
3128 |
2970 |
0.949 |
202 |
1360 |
|
|
12 |
A2 |
1577 |
1459 |
0.925 |
202 |
1361 |
|
|
13 |
A2 |
1086 |
1076 |
0.991 |
202 |
1362 |
|
|
14 |
A2 |
726 |
|
|
202 |
1363 |
|
|
15 |
A2 |
180 |
193 |
1.074 |
202 |
1364 |
|
|
16 |
B1 |
3132 |
2945 |
0.940 |
202 |
1365 |
|
|
17 |
B1 |
1592 |
1444 |
0.907 |
202 |
1366 |
|
|
18 |
B1 |
1170 |
1079 |
0.922 |
202 |
1367 |
|
|
19 |
B1 |
933 |
890 |
0.954 |
202 |
1368 |
|
|
20 |
B1 |
429 |
429 |
0.999 |
202 |
1369 |
|
|
21 |
B1 |
198 |
196 |
0.988 |
202 |
1370 |
|
|
22 |
B2 |
3248 |
3086 |
0.950 |
202 |
1371 |
|
|
23 |
B2 |
3152 |
2980 |
0.945 |
202 |
1372 |
|
|
24 |
B2 |
3068 |
2893 |
0.943 |
202 |
1373 |
|
|
25 |
B2 |
1594 |
1458 |
0.915 |
202 |
1374 |
|
|
26 |
B2 |
1483 |
1381 |
0.932 |
202 |
1375 |
|
|
27 |
B2 |
1318 |
1282 |
0.972 |
202 |
1376 |
|
|
28 |
B2 |
1033 |
1043 |
1.010 |
202 |
1377 |
|
|
29 |
B2 |
980 |
974 |
0.994 |
202 |
1378 |
|
|
30 |
B2 |
449 |
430 |
0.958 |
202 |
1379 |
C5H8 |
Cyclopentene |
1 |
A' |
3244 |
3066 |
0.945 |
203 |
1380 |
|
|
2 |
A' |
3168 |
2958 |
0.934 |
203 |
1381 |
|
|
3 |
A' |
3131 |
2916 |
0.931 |
203 |
1382 |
|
|
4 |
A' |
3109 |
2902 |
0.933 |
203 |
1383 |
|
|
5 |
A' |
3081 |
2852 |
0.926 |
203 |
1384 |
|
|
6 |
A' |
1649 |
1616 |
0.980 |
203 |
1385 |
|
|
7 |
A' |
1595 |
1467 |
0.920 |
203 |
1386 |
|
|
8 |
A' |
1576 |
1449 |
0.920 |
203 |
1387 |
|
|
9 |
A' |
1357 |
1302 |
0.959 |
203 |
1388 |
|
|
10 |
A' |
1292 |
1284 |
0.994 |
203 |
1389 |
|
|
11 |
A' |
1186 |
1213 |
1.023 |
203 |
1390 |
|
|
12 |
A' |
1108 |
1048 |
0.945 |
203 |
1391 |
|
|
13 |
A' |
961 |
964 |
1.003 |
203 |
1392 |
|
|
14 |
A' |
891 |
962 |
1.080 |
203 |
1393 |
|
|
15 |
A' |
840 |
904 |
1.077 |
203 |
1394 |
|
|
16 |
A' |
734 |
692 |
0.943 |
203 |
1395 |
|
|
17 |
A' |
634 |
603 |
0.951 |
203 |
1396 |
|
|
18 |
A' |
136 |
254 |
1.870 |
203 |
1397 |
|
|
19 |
A" |
3214 |
3039 |
0.945 |
203 |
1398 |
|
|
20 |
A" |
3131 |
2967 |
0.948 |
203 |
1399 |
|
|
21 |
A" |
3082 |
2927 |
0.950 |
203 |
1400 |
|
|
22 |
A" |
1587 |
1467 |
0.925 |
203 |
1401 |
|
|
23 |
A" |
1415 |
1432 |
1.012 |
203 |
1402 |
|
|
24 |
A" |
1383 |
1356 |
0.980 |
203 |
1403 |
|
|
25 |
A" |
1364 |
1302 |
0.954 |
203 |
1404 |
|
|
26 |
A" |
1257 |
1297 |
1.032 |
203 |
1405 |
|
|
27 |
A" |
1219 |
1207 |
0.990 |
203 |
1406 |
|
|
28 |
A" |
1037 |
1113 |
1.073 |
203 |
1407 |
|
|
29 |
A" |
975 |
1082 |
1.110 |
203 |
1408 |
|
|
30 |
A" |
935 |
937 |
1.002 |
203 |
1409 |
|
|
31 |
A" |
889 |
800 |
0.900 |
203 |
1410 |
|
|
32 |
A" |
795 |
702 |
0.882 |
203 |
1411 |
|
|
33 |
A" |
392 |
387 |
0.988 |
203 |
1412 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3256 |
3080 |
0.946 |
204 |
1413 |
|
|
2 |
A |
3180 |
3012 |
0.947 |
204 |
1414 |
|
|
3 |
A |
3167 |
3012 |
0.951 |
204 |
1415 |
|
|
4 |
A |
3059 |
2900 |
0.948 |
204 |
1416 |
|
|
5 |
A |
1696 |
1644 |
0.969 |
204 |
1417 |
|
|
6 |
A |
1562 |
1433 |
0.917 |
204 |
1418 |
|
|
7 |
A |
1534 |
1413 |
0.921 |
204 |
1419 |
|
|
8 |
A |
1374 |
1295 |
0.942 |
204 |
1420 |
|
|
9 |
A |
1315 |
1263 |
0.960 |
204 |
1421 |
|
|
10 |
A |
1125 |
1120 |
0.995 |
204 |
1422 |
|
|
11 |
A |
1047 |
995 |
0.950 |
204 |
1423 |
|
|
12 |
A |
964 |
918 |
0.952 |
204 |
1424 |
|
|
13 |
A |
929 |
876 |
0.943 |
204 |
1425 |
|
|
14 |
A |
684 |
562 |
0.821 |
204 |
1426 |
|
|
15 |
A |
382 |
421 |
1.103 |
204 |
1427 |
|
|
16 |
A |
313 |
137 |
0.438 |
204 |
1428 |
|
|
17 |
A |
84 |
102 |
1.216 |
204 |
1429 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3113 |
2953 |
0.949 |
205 |
1430 |
|
|
2 |
A1 |
2984 |
2775 |
0.930 |
205 |
1431 |
|
|
3 |
A1 |
1601 |
1459 |
0.911 |
205 |
1432 |
|
|
4 |
A1 |
1545 |
1444 |
0.935 |
205 |
1433 |
|
|
5 |
A1 |
1246 |
1186 |
0.952 |
205 |
1434 |
|
|
6 |
A1 |
776 |
828 |
1.067 |
205 |
1435 |
|
|
7 |
A1 |
346 |
367 |
1.059 |
205 |
1436 |
|
|
8 |
A2 |
3154 |
2977 |
0.944 |
205 |
1437 |
|
|
9 |
A2 |
1599 |
1453 |
0.908 |
205 |
1438 |
|
|
10 |
A2 |
1094 |
1046 |
0.957 |
205 |
1439 |
|
|
11 |
A2 |
287 |
255 |
0.887 |
205 |
1440 |
|
|
12 |
E |
3160 |
2981 |
0.943 |
205 |
1441 |
|
|
13 |
E |
3109 |
2953 |
0.950 |
205 |
1442 |
|
|
14 |
E |
2978 |
2776 |
0.932 |
205 |
1443 |
|
|
15 |
E |
1612 |
1471 |
0.912 |
205 |
1444 |
|
|
16 |
E |
1583 |
1444 |
0.912 |
205 |
1445 |
|
|
17 |
E |
1508 |
1409 |
0.934 |
205 |
1446 |
|
|
18 |
E |
1309 |
1275 |
0.974 |
205 |
1447 |
|
|
19 |
E |
1164 |
1103 |
0.948 |
205 |
1448 |
|
|
20 |
E |
1038 |
1043 |
1.005 |
205 |
1449 |
|
|
21 |
E |
421 |
424 |
1.006 |
205 |
1450 |
|
|
22 |
E |
278 |
281 |
1.012 |
205 |
1451 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
436 |
1442 |
3.307 |
206 |
1452 |
|
|
|
Ag |
846 |
1361 |
1.609 |
206 |
1453 |
|
|
|
Au |
1362 |
1257 |
0.923 |
206 |
1454 |
|
|
|
Bg |
1603 |
1300 |
0.811 |
206 |
1455 |
|
|
|
Bu |
3079 |
2870 |
0.932 |
206 |
1456 |
|
|
|
Bu |
3082 |
1461 |
0.474 |
206 |
1457 |
|
|
|
Bu |
3153 |
964 |
0.306 |
206 |
1458 |
C8H8 |
cubane |
1 |
A1g |
3213 |
2995 |
0.932 |
207 |
1459 |
|
|
2 |
A1g |
987 |
1002 |
1.016 |
207 |
1460 |
|
|
3 |
A2u |
3167 |
2978 |
0.940 |
207 |
1461 |
|
|
4 |
A2u |
1029 |
839 |
0.815 |
207 |
1462 |
|
|
5 |
Eg |
1136 |
1083 |
0.953 |
207 |
1463 |
|
|
6 |
Eg |
923 |
912 |
0.988 |
207 |
1464 |
|
|
7 |
Eu |
1132 |
1151 |
1.017 |
207 |
1465 |
|
|
8 |
Eu |
583 |
617 |
1.058 |
207 |
1466 |
|
|
9 |
T1g |
1190 |
1130 |
0.949 |
207 |
1467 |
|
|
10 |
T1u |
3189 |
2978 |
0.934 |
207 |
1468 |
|
|
11 |
T1u |
1275 |
1230 |
0.965 |
207 |
1469 |
|
|
12 |
T1u |
846 |
853 |
1.008 |
207 |
1470 |
|
|
13 |
T2g |
3177 |
2970 |
0.935 |
207 |
1471 |
|
|
14 |
T2g |
1208 |
1182 |
0.979 |
207 |
1472 |
|
|
15 |
T2g |
819 |
821 |
1.003 |
207 |
1473 |
|
|
16 |
T2g |
651 |
665 |
1.022 |
207 |
1474 |
|
|
17 |
T2u |
1079 |
1036 |
0.960 |
207 |
1475 |
|
|
18 |
T2u |
836 |
829 |
0.991 |
207 |
1476 |
C6H12 |
Cyclohexane |
1 |
A1g |
3113 |
2930 |
0.941 |
208 |
1477 |
|
|
2 |
A1g |
3070 |
2852 |
0.929 |
208 |
1478 |
|
|
3 |
A1g |
1596 |
1465 |
0.918 |
208 |
1479 |
|
|
4 |
A1g |
1228 |
1157 |
0.942 |
208 |
1480 |
|
|
5 |
A1g |
799 |
802 |
1.004 |
208 |
1481 |
|
|
6 |
A1g |
390 |
383 |
0.983 |
208 |
1482 |
|
|
7 |
A1u |
1420 |
1383 |
0.974 |
208 |
1483 |
|
|
8 |
A1u |
1190 |
1157 |
0.972 |
208 |
1484 |
|
|
9 |
A1u |
1085 |
1057 |
0.975 |
208 |
1485 |
|
|
10 |
A2g |
1423 |
1437 |
1.010 |
208 |
1486 |
|
|
11 |
A2g |
1140 |
1090 |
0.956 |
208 |
1487 |
|
|
12 |
A2u |
3132 |
2915 |
0.931 |
208 |
1488 |
|
|
13 |
A2u |
3067 |
2860 |
0.932 |
208 |
1489 |
|
|
14 |
A2u |
1590 |
1437 |
0.904 |
208 |
1490 |
|
|
15 |
A2u |
1078 |
1030 |
0.955 |
208 |
1491 |
|
|
16 |
A2u |
536 |
523 |
0.976 |
208 |
1492 |
|
|
17 |
Eg |
3120 |
2930 |
0.939 |
208 |
1493 |
|
|
18 |
Eg |
3068 |
2897 |
0.944 |
208 |
1494 |
|
|
19 |
Eg |
1578 |
1443 |
0.914 |
208 |
1495 |
|
|
20 |
Eg |
1425 |
1347 |
0.945 |
208 |
1496 |
|
|
21 |
Eg |
1335 |
1266 |
0.948 |
208 |
1497 |
|
|
22 |
Eg |
1053 |
1027 |
0.975 |
208 |
1498 |
|
|
23 |
Eg |
821 |
785 |
0.956 |
208 |
1499 |
|
|
24 |
Eg |
441 |
426 |
0.966 |
208 |
1500 |
|
|
25 |
Eu |
3111 |
2933 |
0.943 |
208 |
1501 |
|
|
26 |
Eu |
3068 |
2863 |
0.933 |
208 |
1502 |
|
|
27 |
Eu |
1578 |
1457 |
0.923 |
208 |
1503 |
|
|
28 |
Eu |
1439 |
1355 |
0.942 |
208 |
1504 |
|
|
29 |
Eu |
1348 |
1261 |
0.935 |
208 |
1505 |
|
|
30 |
Eu |
961 |
907 |
0.944 |
208 |
1506 |
|
|
31 |
Eu |
861 |
863 |
1.003 |
208 |
1507 |
|
|
32 |
Eu |
240 |
248 |
1.034 |
208 |
1508 |