H2 |
Hydrogen diatomic |
1 |
Σg |
4372 |
4161 |
0.952 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1360 |
1360 |
1.000 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
337 |
346 |
1.027 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1107 |
1133 |
1.024 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
276 |
158 |
0.571 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
1988 |
1987 |
0.999 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1431 |
1432 |
1.001 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2180 |
2269 |
1.041 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1643 |
1625 |
0.989 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2552 |
2733 |
1.071 |
10 |
10 |
|
|
1 |
Σ |
3022 |
|
|
10 |
11 |
C2 |
Carbon diatomic |
1 |
Σg |
1845 |
1827 |
0.990 |
11 |
12 |
SiH |
Silylidyne |
1 |
Σ |
1988 |
1971 |
0.991 |
12 |
13 |
CN |
Cyano radical |
1 |
Σ |
2032 |
2042 |
1.005 |
13 |
14 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2168 |
2330 |
1.075 |
14 |
15 |
|
|
1 |
Σg |
1589 |
1733 |
1.091 |
14 |
16 |
PH |
phosphorus monohydride |
1 |
Σ |
2306 |
2276 |
0.987 |
15 |
17 |
|
|
1 |
Σ |
2294 |
2319 |
1.011 |
15 |
18 |
PN |
Phosphorus mononitride |
1 |
Σ |
1311 |
1323 |
1.009 |
16 |
19 |
P2 |
Phosphorus diatomic |
1 |
Σg |
789 |
775 |
0.983 |
17 |
20 |
OH |
Hydroxyl radical |
1 |
Σ |
3150 |
3570 |
1.133 |
18 |
21 |
LiO |
lithium oxide |
1 |
Σ |
846 |
799 |
0.944 |
19 |
22 |
BeO |
beryllium oxide |
1 |
Σ |
1482 |
1435 |
0.968 |
20 |
23 |
BO |
boron monoxide |
1 |
Σ |
1770 |
1862 |
1.052 |
21 |
24 |
CO |
Carbon monoxide |
1 |
Σ |
1992 |
2143 |
1.076 |
22 |
25 |
|
|
1 |
Σ |
1610 |
|
|
22 |
26 |
NaO |
sodium monoxide |
1 |
Σ |
510 |
|
|
23 |
27 |
MgO |
magnesium oxide |
1 |
Σ |
862 |
775 |
0.899 |
24 |
28 |
SiO |
Silicon monoxide |
1 |
Σ |
1211 |
1230 |
1.015 |
25 |
29 |
HS |
Mercapto radical |
1 |
Σ |
2619 |
2599 |
0.992 |
26 |
30 |
BeS |
beryllium sulfide |
1 |
Σ |
980 |
986 |
1.006 |
27 |
31 |
CS |
carbon monosulfide |
1 |
Σ |
1225 |
1272 |
1.039 |
28 |
32 |
SO |
Sulfur monoxide |
1 |
Σ |
1021 |
1138 |
1.115 |
29 |
33 |
|
|
1 |
Σ |
1018 |
1054 |
1.035 |
29 |
34 |
MgS |
magnesium sulfide |
1 |
Σ |
523 |
523 |
1.000 |
30 |
35 |
SiS |
silicon monosulfide |
1 |
Σ |
735 |
744 |
1.013 |
31 |
36 |
S2 |
Sulfur diatomic |
1 |
Σg |
696 |
720 |
1.035 |
32 |
37 |
HF |
Hydrogen fluoride |
1 |
Σ |
3520 |
3961 |
1.125 |
33 |
38 |
LiF |
lithium fluoride |
1 |
Σ |
996 |
896 |
0.900 |
34 |
39 |
CF |
Fluoromethylidyne |
1 |
Σ |
1206 |
1286 |
1.066 |
35 |
40 |
F2 |
Fluorine diatomic |
1 |
Σg |
1071 |
894 |
0.835 |
36 |
41 |
NaF |
sodium fluoride |
1 |
Σ |
617 |
529 |
0.857 |
37 |
42 |
AlF |
Aluminum monofluoride |
1 |
Σ |
867 |
793 |
0.915 |
38 |
43 |
SiF |
silicon monofluoride |
1 |
Σ |
897 |
848 |
0.945 |
39 |
44 |
SF |
Monosulfur monofluoride |
1 |
Σ |
806 |
829 |
1.028 |
40 |
45 |
HCl |
Hydrogen chloride |
1 |
Σ |
2867 |
2886 |
1.007 |
41 |
46 |
LiCl |
lithium chloride |
1 |
Σ |
617 |
634 |
1.027 |
42 |
47 |
BCl |
boron monochloride |
1 |
Σ |
762 |
829 |
1.089 |
43 |
48 |
ClO |
Monochlorine monoxide |
1 |
Σ |
751 |
843 |
1.122 |
44 |
49 |
ClF |
Chlorine monofluoride |
1 |
Σ |
739 |
773 |
1.047 |
45 |
50 |
NaCl |
Sodium Chloride |
1 |
Σ |
342 |
361 |
1.055 |
46 |
51 |
AlCl |
Aluminum monochloride |
1 |
Σ |
468 |
478 |
1.020 |
47 |
52 |
SiCl |
Clorosilylidyne |
1 |
Σ |
519 |
531 |
1.023 |
48 |
53 |
SCl |
sulfur monochloride |
1 |
Σ |
537 |
577 |
1.075 |
49 |
54 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
481 |
554 |
1.152 |
50 |
55 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2220 |
2159 |
0.973 |
51 |
56 |
|
|
3 |
Πu |
720 |
698 |
0.969 |
51 |
57 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1598 |
1572 |
0.984 |
52 |
58 |
|
|
3 |
Πu |
419 |
440 |
1.049 |
52 |
59 |
SiH2 |
silicon dihydride |
1 |
A1 |
2026 |
1996 |
0.985 |
53 |
60 |
|
|
2 |
A1 |
1010 |
999 |
0.989 |
53 |
61 |
|
|
3 |
B2 |
2030 |
1993 |
0.982 |
53 |
62 |
NH2 |
Amino radical |
1 |
A1 |
2961 |
3219 |
1.087 |
54 |
63 |
|
|
2 |
A1 |
1571 |
1497 |
0.953 |
54 |
64 |
|
|
3 |
B2 |
3067 |
3301 |
1.076 |
54 |
65 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3406 |
3312 |
0.972 |
55 |
66 |
|
|
2 |
Σ |
2087 |
2089 |
1.001 |
55 |
67 |
|
|
3 |
Π |
872 |
712 |
0.817 |
55 |
68 |
HCP |
Phosphaethyne |
1 |
Σ |
3292 |
3217 |
0.977 |
56 |
69 |
|
|
2 |
Σ |
1311 |
1278 |
0.975 |
56 |
70 |
|
|
3 |
Π |
733 |
674 |
0.919 |
56 |
71 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2004 |
2095 |
1.045 |
57 |
72 |
|
|
2 |
A' |
1152 |
1188 |
1.031 |
57 |
73 |
|
|
3 |
A' |
993 |
986 |
0.992 |
57 |
74 |
H2O |
Water |
1 |
A1 |
3304 |
3657 |
1.107 |
58 |
75 |
|
|
2 |
A1 |
1664 |
1595 |
0.959 |
58 |
76 |
|
|
3 |
B2 |
3448 |
3756 |
1.089 |
58 |
77 |
HBO |
Boron hydride oxide |
1 |
Σ |
2890 |
2850 |
0.986 |
59 |
78 |
|
|
2 |
Σ |
1754 |
1826 |
1.041 |
59 |
79 |
|
|
3 |
Π |
778 |
756 |
0.972 |
59 |
80 |
HCO |
Formyl radical |
1 |
A' |
2545 |
2434 |
0.957 |
60 |
81 |
|
|
2 |
A' |
1758 |
1868 |
1.063 |
60 |
82 |
|
|
3 |
A' |
1079 |
1081 |
1.002 |
60 |
83 |
HNO |
Nitrosyl hydride |
1 |
A' |
2410 |
2684 |
1.114 |
61 |
84 |
|
|
2 |
A' |
1484 |
1565 |
1.054 |
61 |
85 |
|
|
3 |
A' |
1279 |
1501 |
1.174 |
61 |
86 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3112 |
3436 |
1.104 |
62 |
87 |
|
|
2 |
A' |
1286 |
1392 |
1.082 |
62 |
88 |
|
|
3 |
A' |
1055 |
1098 |
1.040 |
62 |
89 |
CO2 |
Carbon dioxide |
1 |
Σg |
1247 |
1333 |
1.069 |
63 |
90 |
|
|
2 |
Σu |
2292 |
2349 |
1.025 |
63 |
91 |
|
|
3 |
Πu |
563 |
667 |
1.184 |
63 |
92 |
N2O |
Nitrous oxide |
1 |
Σ |
2050 |
2224 |
1.085 |
64 |
93 |
|
|
2 |
Σ |
1118 |
1285 |
1.149 |
64 |
94 |
|
|
3 |
Π |
531 |
589 |
1.108 |
64 |
95 |
NaOH |
sodium hydroxide |
1 |
Σ |
3481 |
3637 |
1.045 |
65 |
96 |
|
|
2 |
Σ |
664 |
540 |
0.813 |
65 |
97 |
|
|
3 |
Π |
128 |
300 |
2.336 |
65 |
98 |
SiO2 |
silicon dioxide |
2 |
Σu |
1413 |
1416 |
1.003 |
66 |
99 |
|
|
3 |
Πu |
235 |
273 |
1.162 |
66 |
100 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2625 |
2615 |
0.996 |
67 |
101 |
|
|
2 |
A1 |
1227 |
1183 |
0.964 |
67 |
102 |
|
|
3 |
B2 |
2642 |
2626 |
0.994 |
67 |
103 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2813 |
2736 |
0.973 |
68 |
104 |
|
|
2 |
Σ |
1169 |
1172 |
1.003 |
68 |
105 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2020 |
2062 |
1.021 |
69 |
106 |
|
|
2 |
Σ |
857 |
859 |
1.002 |
69 |
107 |
|
|
3 |
Π |
524 |
520 |
0.992 |
69 |
108 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1057 |
1151 |
1.090 |
70 |
109 |
|
|
2 |
A1 |
477 |
518 |
1.085 |
70 |
110 |
|
|
3 |
B2 |
1272 |
1362 |
1.070 |
70 |
111 |
CS2 |
Carbon disulfide |
1 |
Σg |
664 |
658 |
0.991 |
71 |
112 |
|
|
2 |
Σu |
1573 |
1535 |
0.976 |
71 |
113 |
|
|
3 |
Πu |
398 |
397 |
0.996 |
71 |
114 |
SSO |
Disulfur monoxide |
1 |
A' |
1077 |
1166 |
1.083 |
72 |
115 |
|
|
2 |
A' |
652 |
679 |
1.042 |
72 |
116 |
|
|
3 |
A' |
354 |
380 |
1.074 |
72 |
117 |
HCF |
Fluoromethylene |
1 |
A' |
2465 |
2643 |
1.072 |
73 |
118 |
|
|
2 |
A' |
1357 |
1403 |
1.034 |
73 |
119 |
|
|
3 |
A' |
1127 |
1189 |
1.055 |
73 |
120 |
HOF |
Hypofluorous acid |
1 |
A' |
3235 |
3578 |
1.106 |
74 |
121 |
|
|
2 |
A' |
1248 |
1362 |
1.091 |
74 |
122 |
|
|
3 |
A' |
987 |
893 |
0.905 |
74 |
123 |
CF2 |
Difluoromethylene |
1 |
A1 |
1129 |
1225 |
1.085 |
75 |
124 |
|
|
2 |
A1 |
567 |
667 |
1.177 |
75 |
125 |
|
|
3 |
B2 |
1068 |
1114 |
1.043 |
75 |
126 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1467 |
1844 |
1.257 |
76 |
127 |
|
|
2 |
A' |
848 |
766 |
0.903 |
76 |
128 |
|
|
3 |
A' |
521 |
520 |
0.998 |
76 |
129 |
F2O |
Difluorine monoxide |
1 |
A1 |
981 |
928 |
0.946 |
77 |
130 |
|
|
2 |
A1 |
368 |
461 |
1.252 |
77 |
131 |
|
|
3 |
B2 |
919 |
831 |
0.904 |
77 |
132 |
HOCl |
hypochlorous acid |
1 |
A' |
3253 |
3609 |
1.110 |
78 |
133 |
|
|
2 |
A' |
1235 |
1239 |
1.003 |
78 |
134 |
|
|
3 |
A' |
673 |
724 |
1.077 |
78 |
135 |
ClCN |
chlorocyanogen |
1 |
Σ |
2204 |
2216 |
1.006 |
79 |
136 |
|
|
2 |
Σ |
723 |
744 |
1.029 |
79 |
137 |
|
|
3 |
Π |
463 |
378 |
0.817 |
79 |
138 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1494 |
1800 |
1.204 |
80 |
139 |
|
|
2 |
A' |
581 |
596 |
1.026 |
80 |
140 |
|
|
3 |
A' |
328 |
332 |
1.011 |
80 |
141 |
OClO |
Chlorine dioxide |
1 |
A1 |
778 |
946 |
1.215 |
81 |
142 |
|
|
2 |
A1 |
384 |
448 |
1.167 |
81 |
143 |
|
|
3 |
B2 |
942 |
1110 |
1.178 |
81 |
144 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
603 |
639 |
1.060 |
82 |
145 |
|
|
2 |
A1 |
263 |
296 |
1.126 |
82 |
146 |
|
|
3 |
B2 |
550 |
686 |
1.247 |
82 |
147 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
503 |
522 |
1.038 |
83 |
148 |
|
|
2 |
A1 |
188 |
201 |
1.069 |
83 |
149 |
|
|
3 |
B2 |
502 |
509 |
1.014 |
83 |
150 |
BH3 |
boron trihydride |
2 |
A2" |
1107 |
1148 |
1.036 |
84 |
151 |
|
|
3 |
E' |
2672 |
2602 |
0.974 |
84 |
152 |
|
|
4 |
E' |
1161 |
1197 |
1.030 |
84 |
153 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1889 |
1900 |
1.006 |
85 |
154 |
|
|
2 |
A2" |
677 |
698 |
1.030 |
85 |
155 |
|
|
3 |
E' |
1910 |
1883 |
0.986 |
85 |
156 |
|
|
4 |
E' |
754 |
783 |
1.039 |
85 |
157 |
C2H2 |
Acetylene |
1 |
Σg |
3469 |
3374 |
0.973 |
86 |
158 |
|
|
2 |
Σg |
2028 |
1974 |
0.973 |
86 |
159 |
|
|
3 |
Σu |
3361 |
3289 |
0.979 |
86 |
160 |
|
|
4 |
Πg |
645 |
612 |
0.949 |
86 |
161 |
|
|
5 |
Πu |
757 |
730 |
0.964 |
86 |
162 |
SiH3 |
Silyl radical |
1 |
A1 |
2175 |
2136 |
0.982 |
87 |
163 |
|
|
2 |
A1 |
713 |
728 |
1.021 |
87 |
164 |
|
|
3 |
E |
2220 |
2185 |
0.984 |
87 |
165 |
|
|
4 |
E |
902 |
922 |
1.022 |
87 |
166 |
NH3 |
Ammonia |
1 |
A1 |
3278 |
3337 |
1.018 |
88 |
167 |
|
|
2 |
A1 |
761 |
950 |
1.248 |
88 |
168 |
|
|
3 |
E |
3438 |
3444 |
1.002 |
88 |
169 |
|
|
4 |
E |
1710 |
1627 |
0.952 |
88 |
170 |
C2N2 |
Cyanogen |
1 |
Σg |
2340 |
2330 |
0.996 |
89 |
171 |
|
|
2 |
Σg |
878 |
846 |
0.964 |
89 |
172 |
|
|
3 |
Σu |
2150 |
2158 |
1.004 |
89 |
173 |
|
|
4 |
Πg |
788 |
503 |
0.638 |
89 |
174 |
|
|
5 |
Πu |
313 |
234 |
0.748 |
89 |
175 |
PH3 |
Phosphine |
1 |
A1 |
2359 |
2323 |
0.985 |
90 |
176 |
|
|
2 |
A1 |
1031 |
992 |
0.962 |
90 |
177 |
|
|
3 |
E |
2369 |
2328 |
0.983 |
90 |
178 |
|
|
4 |
E |
1156 |
1118 |
0.967 |
90 |
179 |
P4 |
Phosphorus tetramer |
1 |
A1 |
591 |
601 |
1.016 |
91 |
180 |
|
|
2 |
E |
382 |
361 |
0.944 |
91 |
181 |
|
|
3 |
T2 |
472 |
467 |
0.989 |
91 |
182 |
H2CO |
Formaldehyde |
1 |
A1 |
2802 |
2782 |
0.993 |
92 |
183 |
|
|
2 |
A1 |
1709 |
1746 |
1.021 |
92 |
184 |
|
|
3 |
A1 |
1528 |
1500 |
0.982 |
92 |
185 |
|
|
4 |
B1 |
1177 |
1167 |
0.992 |
92 |
186 |
|
|
5 |
B2 |
2834 |
2843 |
1.003 |
92 |
187 |
|
|
6 |
B2 |
1240 |
1249 |
1.007 |
92 |
188 |
HNCO |
Isocyanic acid |
1 |
A' |
3623 |
3538 |
0.977 |
93 |
189 |
|
|
2 |
A' |
2320 |
2269 |
0.978 |
93 |
190 |
|
|
3 |
A' |
1273 |
1327 |
1.043 |
93 |
191 |
|
|
4 |
A' |
600 |
777 |
1.294 |
93 |
192 |
|
|
5 |
A' |
546 |
577 |
1.057 |
93 |
193 |
|
|
6 |
A" |
575 |
656 |
1.140 |
93 |
194 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2016 |
2060 |
1.022 |
94 |
195 |
|
|
2 |
Σg |
624 |
585 |
0.938 |
94 |
196 |
|
|
3 |
Σu |
1822 |
1898 |
1.042 |
94 |
197 |
|
|
4 |
Πg |
566 |
410 |
0.724 |
94 |
198 |
|
|
5 |
Πu |
242 |
213 |
0.880 |
94 |
199 |
H2CS |
Thioformaldehyde |
1 |
A1 |
2995 |
2971 |
0.992 |
95 |
200 |
|
|
2 |
A1 |
1504 |
1456 |
0.968 |
95 |
201 |
|
|
3 |
A1 |
1074 |
1059 |
0.986 |
95 |
202 |
|
|
4 |
B1 |
1006 |
990 |
0.984 |
95 |
203 |
|
|
5 |
B2 |
3074 |
3025 |
0.984 |
95 |
204 |
|
|
6 |
B2 |
1013 |
991 |
0.978 |
95 |
205 |
H2S2 |
Disulfane |
1 |
A |
2552 |
2556 |
1.002 |
96 |
206 |
|
|
2 |
A |
895 |
882 |
0.986 |
96 |
207 |
|
|
3 |
A |
485 |
515 |
1.061 |
96 |
208 |
|
|
4 |
A |
452 |
417 |
0.923 |
96 |
209 |
|
|
5 |
B |
2555 |
2559 |
1.001 |
96 |
210 |
|
|
6 |
B |
902 |
878 |
0.973 |
96 |
211 |
SO3 |
Sulfur trioxide |
1 |
A1' |
962 |
1065 |
1.107 |
97 |
212 |
|
|
2 |
A2" |
426 |
498 |
1.170 |
97 |
213 |
|
|
3 |
E' |
1302 |
1391 |
1.068 |
97 |
214 |
|
|
4 |
E' |
475 |
530 |
1.115 |
97 |
215 |
BHF2 |
Difluoroborane |
1 |
A1 |
2728 |
2621 |
0.961 |
98 |
216 |
|
|
2 |
A1 |
1163 |
1164 |
1.001 |
98 |
217 |
|
|
3 |
A1 |
524 |
542 |
1.034 |
98 |
218 |
|
|
4 |
B1 |
928 |
924 |
0.995 |
98 |
219 |
|
|
5 |
B2 |
1504 |
1402 |
0.932 |
98 |
220 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1876 |
1928 |
1.028 |
99 |
221 |
|
|
2 |
A1 |
910 |
965 |
1.061 |
99 |
222 |
|
|
3 |
A1 |
530 |
584 |
1.102 |
99 |
223 |
|
|
4 |
B1 |
714 |
774 |
1.084 |
99 |
224 |
|
|
5 |
B2 |
1229 |
1249 |
1.016 |
99 |
225 |
|
|
6 |
B2 |
586 |
626 |
1.067 |
99 |
226 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
871 |
888 |
1.020 |
100 |
227 |
|
|
2 |
A2" |
624 |
691 |
1.107 |
100 |
228 |
|
|
3 |
E' |
1522 |
1449 |
0.952 |
100 |
229 |
|
|
4 |
E' |
460 |
480 |
1.044 |
100 |
230 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1151 |
1523 |
1.323 |
101 |
231 |
|
|
2 |
Ag |
930 |
1018 |
1.094 |
101 |
232 |
|
|
3 |
Ag |
544 |
603 |
1.109 |
101 |
233 |
|
|
4 |
Au |
312 |
364 |
1.167 |
101 |
234 |
|
|
5 |
Bu |
979 |
991 |
1.013 |
101 |
235 |
|
|
6 |
Bu |
346 |
423 |
1.223 |
101 |
236 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
958 |
1032 |
1.077 |
102 |
237 |
|
|
2 |
A1 |
501 |
647 |
1.293 |
102 |
238 |
|
|
3 |
E |
863 |
907 |
1.051 |
102 |
239 |
|
|
4 |
E |
365 |
492 |
1.349 |
102 |
240 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
720 |
690 |
0.958 |
103 |
241 |
|
|
2 |
A2" |
274 |
297 |
1.085 |
103 |
242 |
|
|
3 |
E' |
1021 |
935 |
0.916 |
103 |
243 |
|
|
4 |
E' |
241 |
263 |
1.090 |
103 |
244 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
892 |
892 |
1.001 |
104 |
245 |
|
|
2 |
A1 |
441 |
487 |
1.104 |
104 |
246 |
|
|
3 |
E |
906 |
860 |
0.949 |
104 |
247 |
|
|
4 |
E |
314 |
344 |
1.095 |
104 |
248 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2687 |
2617 |
0.974 |
105 |
249 |
|
|
2 |
A1 |
708 |
740 |
1.046 |
105 |
250 |
|
|
4 |
B1 |
761 |
784 |
1.030 |
105 |
251 |
|
|
5 |
B2 |
1081 |
1089 |
1.008 |
105 |
252 |
|
|
6 |
B2 |
892 |
892 |
1.000 |
105 |
253 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1091 |
1267 |
1.161 |
106 |
254 |
|
|
2 |
A1 |
714 |
793 |
1.110 |
106 |
255 |
|
|
3 |
A1 |
343 |
364 |
1.060 |
106 |
256 |
|
|
4 |
B1 |
571 |
652 |
1.142 |
106 |
257 |
|
|
5 |
B2 |
1458 |
1684 |
1.155 |
106 |
258 |
|
|
6 |
B2 |
347 |
408 |
1.175 |
106 |
259 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
624 |
752 |
1.204 |
107 |
260 |
|
|
2 |
A1 |
491 |
529 |
1.076 |
107 |
261 |
|
|
3 |
A1 |
207 |
328 |
1.586 |
107 |
262 |
|
|
4 |
B1 |
301 |
328 |
1.090 |
107 |
263 |
|
|
5 |
B2 |
716 |
702 |
0.981 |
107 |
264 |
|
|
6 |
B2 |
297 |
442 |
1.489 |
107 |
265 |
CCl2O |
Phosgene |
1 |
A1 |
1751 |
1827 |
1.043 |
108 |
266 |
|
|
2 |
A1 |
518 |
567 |
1.094 |
108 |
267 |
|
|
3 |
A1 |
296 |
285 |
0.962 |
108 |
268 |
|
|
4 |
B1 |
565 |
580 |
1.026 |
108 |
269 |
|
|
5 |
B2 |
703 |
849 |
1.208 |
108 |
270 |
|
|
6 |
B2 |
396 |
440 |
1.112 |
108 |
271 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
869 |
820 |
0.944 |
109 |
272 |
|
|
2 |
A1 |
504 |
500 |
0.992 |
109 |
273 |
|
|
3 |
A1 |
234 |
250 |
1.069 |
109 |
274 |
|
|
4 |
B1 |
247 |
260 |
1.054 |
109 |
275 |
|
|
5 |
B2 |
1015 |
900 |
0.887 |
109 |
276 |
|
|
6 |
B2 |
196 |
200 |
1.021 |
109 |
277 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
460 |
471 |
1.024 |
110 |
278 |
|
|
2 |
A2" |
449 |
460 |
1.026 |
110 |
279 |
|
|
3 |
E' |
923 |
956 |
1.035 |
110 |
280 |
|
|
4 |
E' |
256 |
243 |
0.949 |
110 |
281 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
939 |
850 |
0.905 |
111 |
282 |
|
|
2 |
A1 |
433 |
450 |
1.039 |
111 |
283 |
|
|
3 |
A1 |
153 |
150 |
0.983 |
111 |
284 |
|
|
4 |
B1 |
218 |
220 |
1.007 |
111 |
285 |
|
|
5 |
B2 |
632 |
610 |
0.965 |
111 |
286 |
|
|
6 |
B2 |
211 |
200 |
0.948 |
111 |
287 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
378 |
375 |
0.992 |
112 |
288 |
|
|
2 |
A2" |
194 |
183 |
0.944 |
112 |
289 |
|
|
3 |
E' |
623 |
595 |
0.955 |
112 |
290 |
|
|
4 |
E' |
145 |
150 |
1.033 |
112 |
291 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
485 |
504 |
1.040 |
113 |
292 |
|
|
2 |
A1 |
244 |
252 |
1.031 |
113 |
293 |
|
|
3 |
E |
461 |
482 |
1.046 |
113 |
294 |
|
|
4 |
E |
178 |
198 |
1.115 |
113 |
295 |
CH4 |
Methane |
1 |
A1 |
2984 |
2917 |
0.978 |
114 |
296 |
|
|
2 |
E |
1597 |
1534 |
0.961 |
114 |
297 |
|
|
3 |
T2 |
3097 |
3019 |
0.975 |
114 |
298 |
|
|
4 |
T2 |
1363 |
1306 |
0.958 |
114 |
299 |
SiH4 |
Silane |
1 |
A1 |
2212 |
2187 |
0.989 |
115 |
300 |
|
|
2 |
E |
944 |
975 |
1.033 |
115 |
301 |
|
|
3 |
T2 |
2231 |
2191 |
0.982 |
115 |
302 |
|
|
4 |
T2 |
869 |
914 |
1.052 |
115 |
303 |
CH2NH |
Methanimine |
1 |
A' |
3147 |
3263 |
1.037 |
116 |
304 |
|
|
2 |
A' |
3046 |
3024 |
0.993 |
116 |
305 |
|
|
3 |
A' |
2920 |
2914 |
0.998 |
116 |
306 |
|
|
4 |
A' |
1640 |
1638 |
0.999 |
116 |
307 |
|
|
5 |
A' |
1486 |
1452 |
0.977 |
116 |
308 |
|
|
6 |
A' |
1325 |
1344 |
1.015 |
116 |
309 |
|
|
7 |
A' |
1065 |
1058 |
0.993 |
116 |
310 |
|
|
8 |
A" |
1151 |
1127 |
0.979 |
116 |
311 |
|
|
9 |
A" |
1068 |
1061 |
0.994 |
116 |
312 |
CH2CO |
Ketene |
1 |
A1 |
3133 |
3070 |
0.980 |
117 |
313 |
|
|
2 |
A1 |
2158 |
2152 |
0.997 |
117 |
314 |
|
|
3 |
A1 |
1406 |
1388 |
0.987 |
117 |
315 |
|
|
4 |
A1 |
1154 |
1118 |
0.969 |
117 |
316 |
|
|
5 |
B1 |
664 |
588 |
0.886 |
117 |
317 |
|
|
6 |
B1 |
580 |
528 |
0.910 |
117 |
318 |
|
|
7 |
B2 |
3213 |
3166 |
0.985 |
117 |
319 |
|
|
8 |
B2 |
1003 |
977 |
0.973 |
117 |
320 |
|
|
9 |
B2 |
474 |
433 |
0.913 |
117 |
321 |
HCOOH |
Formic acid |
1 |
A' |
3309 |
3570 |
1.079 |
118 |
322 |
|
|
2 |
A' |
2996 |
2943 |
0.982 |
118 |
323 |
|
|
3 |
A' |
1709 |
1770 |
1.036 |
118 |
324 |
|
|
4 |
A' |
1376 |
1387 |
1.008 |
118 |
325 |
|
|
5 |
A' |
1289 |
1229 |
0.954 |
118 |
326 |
|
|
6 |
A' |
1020 |
1105 |
1.083 |
118 |
327 |
|
|
7 |
A' |
583 |
625 |
1.072 |
118 |
328 |
|
|
8 |
A" |
1029 |
1033 |
1.003 |
118 |
329 |
|
|
9 |
A" |
695 |
638 |
0.917 |
118 |
330 |
HNO3 |
Nitric acid |
1 |
A' |
3271 |
3550 |
1.085 |
119 |
331 |
|
|
2 |
A' |
1499 |
1708 |
1.139 |
119 |
332 |
|
|
3 |
A' |
1178 |
1331 |
1.130 |
119 |
333 |
|
|
4 |
A' |
1114 |
1325 |
1.189 |
119 |
334 |
|
|
5 |
A' |
807 |
879 |
1.090 |
119 |
335 |
|
|
6 |
A' |
563 |
647 |
1.148 |
119 |
336 |
|
|
7 |
A' |
464 |
579 |
1.248 |
119 |
337 |
|
|
8 |
A" |
643 |
762 |
1.184 |
119 |
338 |
|
|
9 |
A" |
486 |
456 |
0.938 |
119 |
339 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2154 |
2196 |
1.019 |
120 |
340 |
|
|
2 |
Σg |
761 |
786 |
1.033 |
120 |
341 |
|
|
3 |
Σu |
2401 |
2258 |
0.940 |
120 |
342 |
|
|
4 |
Σu |
1555 |
1573 |
1.012 |
120 |
343 |
|
|
5 |
Πg |
619 |
573 |
0.926 |
120 |
344 |
|
|
6 |
Πu |
790 |
550 |
0.696 |
120 |
345 |
|
|
7 |
Πu |
154 |
61 |
0.397 |
120 |
346 |
CH3F |
Methyl fluoride |
1 |
A1 |
2942 |
2930 |
0.996 |
121 |
347 |
|
|
2 |
A1 |
1522 |
1464 |
0.962 |
121 |
348 |
|
|
3 |
A1 |
1040 |
1049 |
1.009 |
121 |
349 |
|
|
4 |
E |
2998 |
3006 |
1.003 |
121 |
350 |
|
|
5 |
E |
1518 |
1467 |
0.967 |
121 |
351 |
|
|
6 |
E |
1156 |
1182 |
1.022 |
121 |
352 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
2945 |
2948 |
1.001 |
122 |
353 |
|
|
2 |
A1 |
1549 |
1508 |
0.974 |
122 |
354 |
|
|
3 |
A1 |
1053 |
1111 |
1.056 |
122 |
355 |
|
|
4 |
A1 |
480 |
529 |
1.101 |
122 |
356 |
|
|
5 |
A2 |
1224 |
1262 |
1.031 |
122 |
357 |
|
|
6 |
B1 |
2988 |
3014 |
1.009 |
122 |
358 |
|
|
7 |
B1 |
1132 |
1178 |
1.041 |
122 |
359 |
|
|
8 |
B2 |
1458 |
1435 |
0.984 |
122 |
360 |
|
|
9 |
B2 |
1090 |
1090 |
1.000 |
122 |
361 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3031 |
3036 |
1.002 |
123 |
362 |
|
|
2 |
A1 |
1073 |
1117 |
1.041 |
123 |
363 |
|
|
3 |
A1 |
631 |
700 |
1.109 |
123 |
364 |
|
|
4 |
E |
1384 |
1372 |
0.991 |
123 |
365 |
|
|
5 |
E |
1141 |
1152 |
1.010 |
123 |
366 |
|
|
6 |
E |
455 |
507 |
1.114 |
123 |
367 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
840 |
909 |
1.081 |
124 |
368 |
|
|
2 |
E |
388 |
435 |
1.121 |
124 |
369 |
|
|
3 |
T2 |
1287 |
1283 |
0.997 |
124 |
370 |
|
|
4 |
T2 |
571 |
631 |
1.105 |
124 |
371 |
SiH3F |
monofluorosilane |
1 |
A1 |
2221 |
2206 |
0.993 |
125 |
372 |
|
|
2 |
A1 |
1057 |
990 |
0.937 |
125 |
373 |
|
|
3 |
A1 |
906 |
872 |
0.962 |
125 |
374 |
|
|
4 |
E |
2226 |
2196 |
0.987 |
125 |
375 |
|
|
5 |
E |
896 |
956 |
1.068 |
125 |
376 |
|
|
6 |
E |
753 |
728 |
0.967 |
125 |
377 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
795 |
800 |
1.007 |
126 |
378 |
|
|
2 |
E |
257 |
268 |
1.044 |
126 |
379 |
|
|
3 |
T2 |
1086 |
1032 |
0.950 |
126 |
380 |
|
|
4 |
T2 |
369 |
389 |
1.055 |
126 |
381 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1404 |
1417 |
1.010 |
127 |
382 |
|
|
2 |
A1 |
837 |
873 |
1.043 |
127 |
383 |
|
|
3 |
A1 |
441 |
472 |
1.070 |
127 |
384 |
|
|
4 |
E |
1016 |
991 |
0.975 |
127 |
385 |
|
|
5 |
E |
424 |
482 |
1.136 |
127 |
386 |
|
|
6 |
E |
308 |
336 |
1.090 |
127 |
387 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3020 |
2966 |
0.982 |
128 |
388 |
|
|
2 |
A1 |
1387 |
1355 |
0.977 |
128 |
389 |
|
|
3 |
A1 |
676 |
732 |
1.084 |
128 |
390 |
|
|
4 |
E |
3119 |
3042 |
0.975 |
128 |
391 |
|
|
5 |
E |
1500 |
1455 |
0.970 |
128 |
392 |
|
|
6 |
E |
1024 |
1015 |
0.992 |
128 |
393 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2223 |
2201 |
0.990 |
129 |
394 |
|
|
2 |
A1 |
934 |
949 |
1.016 |
129 |
395 |
|
|
3 |
A1 |
543 |
551 |
1.014 |
129 |
396 |
|
|
4 |
E |
2240 |
2195 |
0.980 |
129 |
397 |
|
|
5 |
E |
917 |
954 |
1.041 |
129 |
398 |
|
|
6 |
E |
647 |
664 |
1.026 |
129 |
399 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3059 |
2999 |
0.980 |
130 |
400 |
|
|
2 |
A1 |
1464 |
1467 |
1.002 |
130 |
401 |
|
|
3 |
A1 |
665 |
717 |
1.077 |
130 |
402 |
|
|
4 |
A1 |
275 |
282 |
1.025 |
130 |
403 |
|
|
5 |
A2 |
1176 |
1153 |
0.980 |
130 |
404 |
|
|
6 |
B1 |
3137 |
3040 |
0.969 |
130 |
405 |
|
|
7 |
B1 |
885 |
898 |
1.014 |
130 |
406 |
|
|
8 |
B2 |
1280 |
1268 |
0.990 |
130 |
407 |
|
|
9 |
B2 |
654 |
758 |
1.159 |
130 |
408 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1009 |
1105 |
1.095 |
131 |
409 |
|
|
2 |
A1 |
692 |
781 |
1.128 |
131 |
410 |
|
|
3 |
A1 |
410 |
476 |
1.161 |
131 |
411 |
|
|
4 |
E |
1230 |
1212 |
0.985 |
131 |
412 |
|
|
5 |
E |
509 |
563 |
1.106 |
131 |
413 |
|
|
6 |
E |
309 |
350 |
1.134 |
131 |
414 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2239 |
2224 |
0.993 |
132 |
415 |
|
|
2 |
A1 |
919 |
954 |
1.038 |
132 |
416 |
|
|
3 |
A1 |
517 |
527 |
1.019 |
132 |
417 |
|
|
4 |
A1 |
183 |
188 |
1.028 |
132 |
418 |
|
|
5 |
A2 |
691 |
710 |
1.027 |
132 |
419 |
|
|
6 |
B1 |
2256 |
2237 |
0.992 |
132 |
420 |
|
|
7 |
B1 |
567 |
602 |
1.062 |
132 |
421 |
|
|
8 |
B2 |
855 |
876 |
1.024 |
132 |
422 |
|
|
9 |
B2 |
584 |
590 |
1.010 |
132 |
423 |
CHCl3 |
Chloroform |
1 |
A1 |
3111 |
3034 |
0.975 |
133 |
424 |
|
|
2 |
A1 |
633 |
680 |
1.074 |
133 |
425 |
|
|
3 |
A1 |
351 |
366 |
1.044 |
133 |
426 |
|
|
4 |
E |
1222 |
1220 |
0.998 |
133 |
427 |
|
|
5 |
E |
658 |
774 |
1.177 |
133 |
428 |
|
|
6 |
E |
252 |
260 |
1.032 |
133 |
429 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1055 |
1101 |
1.044 |
134 |
430 |
|
|
2 |
A1 |
596 |
667 |
1.119 |
134 |
431 |
|
|
3 |
A1 |
401 |
458 |
1.141 |
134 |
432 |
|
|
4 |
A1 |
248 |
262 |
1.058 |
134 |
433 |
|
|
5 |
A2 |
285 |
322 |
1.128 |
134 |
434 |
|
|
6 |
B1 |
748 |
902 |
1.206 |
134 |
435 |
|
|
7 |
B1 |
381 |
437 |
1.148 |
134 |
436 |
|
|
8 |
B2 |
1184 |
1159 |
0.979 |
134 |
437 |
|
|
9 |
B2 |
392 |
446 |
1.139 |
134 |
438 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1078 |
1085 |
1.006 |
135 |
439 |
|
|
2 |
A1 |
478 |
535 |
1.119 |
135 |
440 |
|
|
3 |
A1 |
329 |
350 |
1.062 |
135 |
441 |
|
|
4 |
E |
702 |
847 |
1.207 |
135 |
442 |
|
|
5 |
E |
354 |
394 |
1.114 |
135 |
443 |
|
|
6 |
E |
232 |
241 |
1.037 |
135 |
444 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1114 |
1205 |
1.082 |
136 |
445 |
|
|
2 |
A1 |
502 |
577 |
1.149 |
136 |
446 |
|
|
3 |
A1 |
339 |
408 |
1.204 |
136 |
447 |
|
|
4 |
A1 |
190 |
218 |
1.149 |
136 |
448 |
|
|
5 |
A2 |
237 |
282 |
1.191 |
136 |
449 |
|
|
6 |
B1 |
500 |
586 |
1.173 |
136 |
450 |
|
|
7 |
B1 |
315 |
388 |
1.232 |
136 |
451 |
|
|
8 |
B2 |
1371 |
1434 |
1.046 |
136 |
452 |
|
|
9 |
B2 |
321 |
362 |
1.126 |
136 |
453 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2283 |
2261 |
0.990 |
137 |
454 |
|
|
2 |
A1 |
486 |
499 |
1.026 |
137 |
455 |
|
|
3 |
A1 |
245 |
254 |
1.037 |
137 |
456 |
|
|
4 |
E |
786 |
811 |
1.032 |
137 |
457 |
|
|
5 |
E |
598 |
600 |
1.004 |
137 |
458 |
|
|
6 |
E |
172 |
176 |
1.024 |
137 |
459 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
429 |
459 |
1.071 |
138 |
460 |
|
|
2 |
E |
211 |
217 |
1.027 |
138 |
461 |
|
|
3 |
T2 |
670 |
776 |
1.158 |
138 |
462 |
|
|
4 |
T2 |
303 |
314 |
1.036 |
138 |
463 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1276 |
1322 |
1.036 |
139 |
464 |
|
|
2 |
A1 |
456 |
481 |
1.055 |
139 |
465 |
|
|
3 |
A1 |
261 |
266 |
1.020 |
139 |
466 |
|
|
4 |
E |
558 |
590 |
1.058 |
139 |
467 |
|
|
5 |
E |
314 |
333 |
1.062 |
139 |
468 |
|
|
6 |
E |
184 |
187 |
1.018 |
139 |
469 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
412 |
424 |
1.028 |
140 |
470 |
|
|
2 |
E |
146 |
150 |
1.028 |
140 |
471 |
|
|
3 |
T2 |
618 |
621 |
1.004 |
140 |
472 |
|
|
4 |
T2 |
215 |
221 |
1.027 |
140 |
473 |
C2H4 |
Ethylene |
1 |
Ag |
3090 |
3026 |
0.979 |
141 |
474 |
|
|
2 |
Ag |
1658 |
1623 |
0.979 |
141 |
475 |
|
|
3 |
Ag |
1389 |
1342 |
0.967 |
141 |
476 |
|
|
4 |
Au |
1049 |
1023 |
0.976 |
141 |
477 |
|
|
5 |
B1u |
3074 |
2989 |
0.972 |
141 |
478 |
|
|
6 |
B1u |
1485 |
1444 |
0.972 |
141 |
479 |
|
|
7 |
B2g |
945 |
940 |
0.995 |
141 |
480 |
|
|
8 |
B2u |
3176 |
3105 |
0.978 |
141 |
481 |
|
|
9 |
B2u |
846 |
826 |
0.976 |
141 |
482 |
|
|
10 |
B3g |
3143 |
3086 |
0.982 |
141 |
483 |
|
|
11 |
B3g |
1244 |
1217 |
0.978 |
141 |
484 |
|
|
12 |
B3u |
949 |
949 |
1.000 |
141 |
485 |
N2H4 |
Hydrazine |
1 |
A |
3342 |
3398 |
1.017 |
142 |
486 |
|
|
2 |
A |
3198 |
3329 |
1.041 |
142 |
487 |
|
|
3 |
A |
1687 |
1642 |
0.973 |
142 |
488 |
|
|
4 |
A |
1281 |
1275 |
0.995 |
142 |
489 |
|
|
5 |
A |
1096 |
1076 |
0.982 |
142 |
490 |
|
|
6 |
A |
597 |
780 |
1.307 |
142 |
491 |
|
|
7 |
A |
406 |
377 |
0.928 |
142 |
492 |
|
|
8 |
B |
3351 |
3350 |
1.000 |
142 |
493 |
|
|
9 |
B |
3172 |
3314 |
1.045 |
142 |
494 |
|
|
10 |
B |
1669 |
1628 |
0.976 |
142 |
495 |
|
|
11 |
B |
1254 |
1275 |
1.016 |
142 |
496 |
|
|
12 |
B |
876 |
966 |
1.102 |
142 |
497 |
CH3CN |
Acetonitrile |
1 |
A1 |
2992 |
2954 |
0.987 |
143 |
498 |
|
|
2 |
A1 |
2270 |
2267 |
0.999 |
143 |
499 |
|
|
3 |
A1 |
1427 |
1385 |
0.971 |
143 |
500 |
|
|
4 |
A1 |
917 |
920 |
1.003 |
143 |
501 |
|
|
5 |
E |
3062 |
3009 |
0.983 |
143 |
502 |
|
|
6 |
E |
1496 |
1448 |
0.968 |
143 |
503 |
|
|
7 |
E |
1080 |
1041 |
0.964 |
143 |
504 |
|
|
8 |
E |
449 |
362 |
0.806 |
143 |
505 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2316 |
2290 |
0.989 |
144 |
506 |
|
|
2 |
Σg |
2116 |
2119 |
1.001 |
144 |
507 |
|
|
3 |
Σg |
614 |
692 |
1.126 |
144 |
508 |
|
|
4 |
Σu |
2244 |
2241 |
0.999 |
144 |
509 |
|
|
5 |
Σu |
1185 |
1154 |
0.974 |
144 |
510 |
|
|
6 |
Πg |
946 |
504 |
0.533 |
144 |
511 |
|
|
7 |
Πg |
342 |
263 |
0.769 |
144 |
512 |
|
|
8 |
Πu |
716 |
472 |
0.660 |
144 |
513 |
|
|
9 |
Πu |
117 |
107 |
0.917 |
144 |
514 |
CH3OH |
Methyl alcohol |
1 |
A' |
3348 |
3681 |
1.100 |
145 |
515 |
|
|
2 |
A' |
3052 |
3000 |
0.983 |
145 |
516 |
|
|
3 |
A' |
2897 |
2844 |
0.982 |
145 |
517 |
|
|
4 |
A' |
1539 |
1477 |
0.960 |
145 |
518 |
|
|
5 |
A' |
1480 |
1455 |
0.983 |
145 |
519 |
|
|
6 |
A' |
1371 |
1345 |
0.981 |
145 |
520 |
|
|
7 |
A' |
1058 |
1060 |
1.002 |
145 |
521 |
|
|
8 |
A' |
967 |
1033 |
1.068 |
145 |
522 |
|
|
9 |
A" |
2929 |
2960 |
1.011 |
145 |
523 |
|
|
10 |
A" |
1515 |
1477 |
0.975 |
145 |
524 |
|
|
11 |
A" |
1119 |
1165 |
1.041 |
145 |
525 |
|
|
12 |
A" |
396 |
200 |
0.505 |
145 |
526 |
C2H2O2 |
Ethanedial |
1 |
Ag |
2861 |
2843 |
0.994 |
146 |
527 |
|
|
2 |
Ag |
1659 |
1745 |
1.052 |
146 |
528 |
|
|
3 |
Ag |
1350 |
1338 |
0.991 |
146 |
529 |
|
|
4 |
Ag |
982 |
1065 |
1.085 |
146 |
530 |
|
|
5 |
Ag |
527 |
551 |
1.046 |
146 |
531 |
|
|
6 |
Au |
833 |
801 |
0.962 |
146 |
532 |
|
|
7 |
Au |
195 |
127 |
0.651 |
146 |
533 |
|
|
8 |
Bg |
1076 |
1048 |
0.974 |
146 |
534 |
|
|
9 |
Bu |
2858 |
2835 |
0.992 |
146 |
535 |
|
|
10 |
Bu |
1658 |
1732 |
1.045 |
146 |
536 |
|
|
11 |
Bu |
1305 |
1312 |
1.006 |
146 |
537 |
|
|
12 |
Bu |
297 |
339 |
1.140 |
146 |
538 |
CH3SH |
Methanethiol |
1 |
A' |
3086 |
3000 |
0.972 |
147 |
539 |
|
|
2 |
A' |
2998 |
2931 |
0.978 |
147 |
540 |
|
|
3 |
A' |
2610 |
2597 |
0.995 |
147 |
541 |
|
|
4 |
A' |
1507 |
1475 |
0.979 |
147 |
542 |
|
|
5 |
A' |
1378 |
1335 |
0.969 |
147 |
543 |
|
|
6 |
A' |
1101 |
1074 |
0.976 |
147 |
544 |
|
|
7 |
A' |
804 |
803 |
0.998 |
147 |
545 |
|
|
8 |
A' |
681 |
708 |
1.040 |
147 |
546 |
|
|
9 |
A" |
3085 |
3000 |
0.973 |
147 |
547 |
|
|
10 |
A" |
1501 |
1430 |
0.953 |
147 |
548 |
|
|
11 |
A" |
979 |
976 |
0.997 |
147 |
549 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3219 |
3115 |
0.968 |
148 |
550 |
|
|
2 |
A' |
3132 |
3080 |
0.983 |
148 |
551 |
|
|
3 |
A' |
3114 |
3052 |
0.980 |
148 |
552 |
|
|
4 |
A' |
1681 |
1654 |
0.984 |
148 |
553 |
|
|
5 |
A' |
1434 |
1380 |
0.962 |
148 |
554 |
|
|
6 |
A' |
1344 |
1306 |
0.972 |
148 |
555 |
|
|
7 |
A' |
1160 |
1156 |
0.996 |
148 |
556 |
|
|
8 |
A' |
934 |
929 |
0.994 |
148 |
557 |
|
|
9 |
A' |
467 |
483 |
1.034 |
148 |
558 |
|
|
10 |
A" |
974 |
940 |
0.965 |
148 |
559 |
|
|
11 |
A" |
876 |
863 |
0.985 |
148 |
560 |
|
|
12 |
A" |
719 |
711 |
0.988 |
148 |
561 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3166 |
3070 |
0.970 |
149 |
562 |
|
|
2 |
A1 |
1740 |
1728 |
0.993 |
149 |
563 |
|
|
3 |
A1 |
1430 |
1360 |
0.951 |
149 |
564 |
|
|
4 |
A1 |
908 |
926 |
1.020 |
149 |
565 |
|
|
5 |
A1 |
509 |
550 |
1.080 |
149 |
566 |
|
|
6 |
A2 |
703 |
714 |
1.016 |
149 |
567 |
|
|
7 |
B1 |
839 |
803 |
0.957 |
149 |
568 |
|
|
8 |
B1 |
629 |
611 |
0.971 |
149 |
569 |
|
|
9 |
B2 |
3263 |
3154 |
0.967 |
149 |
570 |
|
|
10 |
B2 |
1320 |
1302 |
0.986 |
149 |
571 |
|
|
11 |
B2 |
952 |
955 |
1.003 |
149 |
572 |
|
|
12 |
B2 |
420 |
438 |
1.043 |
149 |
573 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2287 |
2275 |
0.995 |
150 |
574 |
|
|
2 |
A1 |
1171 |
1227 |
1.048 |
150 |
575 |
|
|
3 |
A1 |
753 |
802 |
1.065 |
150 |
576 |
|
|
4 |
A1 |
481 |
522 |
1.084 |
150 |
577 |
|
|
5 |
E |
1192 |
1214 |
1.019 |
150 |
578 |
|
|
6 |
E |
618 |
618 |
0.999 |
150 |
579 |
|
|
7 |
E |
438 |
463 |
1.058 |
150 |
580 |
|
|
8 |
E |
190 |
196 |
1.032 |
150 |
581 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1837 |
1872 |
1.019 |
151 |
582 |
|
|
2 |
Ag |
753 |
778 |
1.033 |
151 |
583 |
|
|
3 |
Ag |
371 |
394 |
1.061 |
151 |
584 |
|
|
4 |
Au |
184 |
190 |
1.033 |
151 |
585 |
|
|
5 |
B1u |
1161 |
1186 |
1.021 |
151 |
586 |
|
|
6 |
B1u |
512 |
558 |
1.090 |
151 |
587 |
|
|
7 |
B2g |
526 |
508 |
0.966 |
151 |
588 |
|
|
8 |
B2u |
1329 |
1337 |
1.006 |
151 |
589 |
|
|
9 |
B2u |
203 |
218 |
1.076 |
151 |
590 |
|
|
10 |
B3g |
1295 |
1340 |
1.035 |
151 |
591 |
|
|
11 |
B3g |
510 |
551 |
1.080 |
151 |
592 |
|
|
12 |
B3u |
422 |
406 |
0.962 |
151 |
593 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
789 |
816 |
1.034 |
152 |
594 |
|
|
2 |
A1' |
705 |
648 |
0.920 |
152 |
595 |
|
|
3 |
A2" |
1044 |
947 |
0.907 |
152 |
596 |
|
|
4 |
A2" |
529 |
575 |
1.088 |
152 |
597 |
|
|
5 |
E' |
1054 |
1024 |
0.972 |
152 |
598 |
|
|
6 |
E' |
487 |
533 |
1.094 |
152 |
599 |
|
|
7 |
E' |
158 |
174 |
1.101 |
152 |
600 |
|
|
8 |
E" |
465 |
520 |
1.117 |
152 |
601 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3341 |
3602 |
1.078 |
153 |
602 |
|
|
2 |
A |
1431 |
1486 |
1.038 |
153 |
603 |
|
|
3 |
A |
1189 |
1243 |
1.045 |
153 |
604 |
|
|
4 |
A |
1090 |
1150 |
1.055 |
153 |
605 |
|
|
5 |
A |
868 |
896 |
1.032 |
153 |
606 |
|
|
6 |
A |
776 |
823 |
1.061 |
153 |
607 |
|
|
7 |
A |
485 |
562 |
1.159 |
153 |
608 |
|
|
8 |
A |
471 |
551 |
1.169 |
153 |
609 |
|
|
9 |
A |
462 |
518 |
1.121 |
153 |
610 |
|
|
10 |
A |
374 |
409 |
1.093 |
153 |
611 |
|
|
11 |
A |
325 |
390 |
1.199 |
153 |
612 |
|
|
12 |
A |
209 |
266 |
1.270 |
153 |
613 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3197 |
3121 |
0.976 |
154 |
614 |
|
|
2 |
A' |
3155 |
3086 |
0.978 |
154 |
615 |
|
|
3 |
A' |
3103 |
3030 |
0.976 |
154 |
616 |
|
|
4 |
A' |
1626 |
1608 |
0.989 |
154 |
617 |
|
|
5 |
A' |
1415 |
1368 |
0.967 |
154 |
618 |
|
|
6 |
A' |
1301 |
1279 |
0.983 |
154 |
619 |
|
|
7 |
A' |
1050 |
1030 |
0.981 |
154 |
620 |
|
|
8 |
A' |
677 |
720 |
1.064 |
154 |
621 |
|
|
9 |
A' |
401 |
395 |
0.986 |
154 |
622 |
|
|
10 |
A" |
954 |
941 |
0.987 |
154 |
623 |
|
|
11 |
A" |
906 |
896 |
0.989 |
154 |
624 |
|
|
12 |
A" |
624 |
620 |
0.993 |
154 |
625 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3119 |
3035 |
0.973 |
155 |
626 |
|
|
2 |
A1 |
1618 |
1627 |
1.006 |
155 |
627 |
|
|
3 |
A1 |
1416 |
1400 |
0.989 |
155 |
628 |
|
|
4 |
A1 |
575 |
603 |
1.048 |
155 |
629 |
|
|
5 |
A1 |
292 |
299 |
1.023 |
155 |
630 |
|
|
6 |
A2 |
679 |
686 |
1.010 |
155 |
631 |
|
|
7 |
B1 |
884 |
875 |
0.990 |
155 |
632 |
|
|
8 |
B1 |
461 |
460 |
0.997 |
155 |
633 |
|
|
9 |
B2 |
3213 |
3130 |
0.974 |
155 |
634 |
|
|
10 |
B2 |
1098 |
1095 |
0.997 |
155 |
635 |
|
|
11 |
B2 |
724 |
800 |
1.105 |
155 |
636 |
|
|
12 |
B2 |
380 |
372 |
0.980 |
155 |
637 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3173 |
3077 |
0.970 |
156 |
638 |
|
|
2 |
A1 |
1602 |
1587 |
0.990 |
156 |
639 |
|
|
3 |
A1 |
1220 |
1179 |
0.966 |
156 |
640 |
|
|
4 |
A1 |
688 |
711 |
1.034 |
156 |
641 |
|
|
5 |
A1 |
167 |
173 |
1.037 |
156 |
642 |
|
|
6 |
A2 |
892 |
876 |
0.983 |
156 |
643 |
|
|
7 |
A2 |
413 |
406 |
0.982 |
156 |
644 |
|
|
8 |
B1 |
708 |
697 |
0.985 |
156 |
645 |
|
|
9 |
B2 |
3150 |
3072 |
0.975 |
156 |
646 |
|
|
10 |
B2 |
1317 |
1303 |
0.990 |
156 |
647 |
|
|
11 |
B2 |
824 |
857 |
1.040 |
156 |
648 |
|
|
12 |
B2 |
572 |
571 |
0.999 |
156 |
649 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3171 |
3073 |
0.969 |
157 |
650 |
|
|
2 |
Ag |
1598 |
1578 |
0.988 |
157 |
651 |
|
|
3 |
Ag |
1299 |
1274 |
0.981 |
157 |
652 |
|
|
4 |
Ag |
820 |
846 |
1.031 |
157 |
653 |
|
|
5 |
Ag |
348 |
350 |
1.006 |
157 |
654 |
|
|
6 |
Au |
913 |
900 |
0.985 |
157 |
655 |
|
|
7 |
Au |
212 |
227 |
1.072 |
157 |
656 |
|
|
8 |
Bg |
786 |
763 |
0.971 |
157 |
657 |
|
|
9 |
Bu |
3172 |
3090 |
0.974 |
157 |
658 |
|
|
10 |
Bu |
1229 |
1200 |
0.976 |
157 |
659 |
|
|
11 |
Bu |
788 |
828 |
1.051 |
157 |
660 |
|
|
12 |
Bu |
237 |
250 |
1.055 |
157 |
661 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3173 |
3082 |
0.971 |
158 |
662 |
|
|
2 |
A' |
1591 |
1586 |
0.997 |
158 |
663 |
|
|
3 |
A' |
1276 |
1247 |
0.978 |
158 |
664 |
|
|
4 |
A' |
877 |
931 |
1.062 |
158 |
665 |
|
|
5 |
A' |
808 |
840 |
1.039 |
158 |
666 |
|
|
6 |
A' |
612 |
630 |
1.029 |
158 |
667 |
|
|
7 |
A' |
380 |
384 |
1.011 |
158 |
668 |
|
|
8 |
A' |
272 |
277 |
1.018 |
158 |
669 |
|
|
9 |
A' |
170 |
178 |
1.046 |
158 |
670 |
|
|
10 |
A" |
801 |
780 |
0.973 |
158 |
671 |
|
|
11 |
A" |
465 |
451 |
0.970 |
158 |
672 |
|
|
12 |
A" |
200 |
215 |
1.076 |
158 |
673 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1113 |
1122 |
1.008 |
159 |
674 |
|
|
2 |
A1 |
396 |
401 |
1.013 |
159 |
675 |
|
|
3 |
A1 |
171 |
176 |
1.028 |
159 |
676 |
|
|
5 |
B2 |
703 |
728 |
1.035 |
159 |
677 |
|
|
6 |
B2 |
289 |
289 |
0.999 |
159 |
678 |
|
|
7 |
E |
883 |
917 |
1.038 |
159 |
679 |
|
|
8 |
E |
477 |
512 |
1.073 |
159 |
680 |
|
|
9 |
E |
90 |
104 |
1.151 |
159 |
681 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1564 |
1571 |
1.005 |
160 |
682 |
|
|
2 |
Ag |
433 |
447 |
1.032 |
160 |
683 |
|
|
3 |
Ag |
234 |
237 |
1.013 |
160 |
684 |
|
|
4 |
Au |
96 |
110 |
1.140 |
160 |
685 |
|
|
5 |
B1u |
751 |
777 |
1.034 |
160 |
686 |
|
|
6 |
B1u |
308 |
310 |
1.006 |
160 |
687 |
|
|
7 |
B2g |
535 |
512 |
0.956 |
160 |
688 |
|
|
8 |
B2u |
851 |
908 |
1.067 |
160 |
689 |
|
|
9 |
B2u |
175 |
176 |
1.004 |
160 |
690 |
|
|
10 |
B3g |
927 |
1000 |
1.079 |
160 |
691 |
|
|
11 |
B3g |
345 |
347 |
1.005 |
160 |
692 |
|
|
12 |
B3u |
286 |
288 |
1.008 |
160 |
693 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
369 |
394 |
1.069 |
161 |
694 |
|
|
2 |
A1' |
254 |
264 |
1.038 |
161 |
695 |
|
|
3 |
A2" |
395 |
465 |
1.177 |
161 |
696 |
|
|
4 |
A2" |
294 |
299 |
1.016 |
161 |
697 |
|
|
5 |
E' |
546 |
592 |
1.084 |
161 |
698 |
|
|
6 |
E' |
260 |
273 |
1.050 |
161 |
699 |
|
|
7 |
E' |
83 |
100 |
1.200 |
161 |
700 |
|
|
8 |
E" |
255 |
282 |
1.104 |
161 |
701 |
CH3CCH |
propyne |
1 |
A1 |
3423 |
3334 |
0.974 |
162 |
702 |
|
|
2 |
A1 |
2975 |
2918 |
0.981 |
162 |
703 |
|
|
3 |
A1 |
2186 |
2124 |
0.972 |
162 |
704 |
|
|
4 |
A1 |
1421 |
1382 |
0.973 |
162 |
705 |
|
|
5 |
A1 |
918 |
931 |
1.014 |
162 |
706 |
|
|
6 |
E |
3039 |
3008 |
0.990 |
162 |
707 |
|
|
7 |
E |
1502 |
1452 |
0.967 |
162 |
708 |
|
|
8 |
E |
1064 |
1053 |
0.989 |
162 |
709 |
|
|
9 |
E |
659 |
633 |
0.961 |
162 |
710 |
|
|
10 |
E |
333 |
328 |
0.985 |
162 |
711 |
CH2CCH2 |
allene |
1 |
A1 |
3069 |
3015 |
0.982 |
163 |
712 |
|
|
2 |
A1 |
1478 |
1443 |
0.976 |
163 |
713 |
|
|
3 |
A1 |
1099 |
1073 |
0.976 |
163 |
714 |
|
|
4 |
B1 |
878 |
865 |
0.985 |
163 |
715 |
|
|
5 |
B2 |
3066 |
3007 |
0.981 |
163 |
716 |
|
|
6 |
B2 |
2025 |
1957 |
0.967 |
163 |
717 |
|
|
7 |
B2 |
1438 |
1398 |
0.972 |
163 |
718 |
|
|
8 |
E |
3137 |
3086 |
0.984 |
163 |
719 |
|
|
9 |
E |
1026 |
999 |
0.973 |
163 |
720 |
|
|
10 |
E |
854 |
841 |
0.985 |
163 |
721 |
|
|
11 |
E |
349 |
355 |
1.017 |
163 |
722 |
C3H4 |
cyclopropene |
1 |
A1 |
3269 |
3158 |
0.966 |
164 |
723 |
|
|
2 |
A1 |
3024 |
2909 |
0.962 |
164 |
724 |
|
|
3 |
A1 |
1662 |
1653 |
0.994 |
164 |
725 |
|
|
4 |
A1 |
1513 |
1483 |
0.980 |
164 |
726 |
|
|
5 |
A1 |
1099 |
1110 |
1.010 |
164 |
727 |
|
|
6 |
A1 |
902 |
905 |
1.003 |
164 |
728 |
|
|
7 |
A2 |
1009 |
996 |
0.987 |
164 |
729 |
|
|
8 |
A2 |
859 |
820 |
0.955 |
164 |
730 |
|
|
9 |
B1 |
3102 |
2995 |
0.966 |
164 |
731 |
|
|
10 |
B1 |
1085 |
1088 |
1.003 |
164 |
732 |
|
|
11 |
B1 |
629 |
569 |
0.905 |
164 |
733 |
|
|
12 |
B2 |
3219 |
3124 |
0.971 |
164 |
734 |
|
|
13 |
B2 |
1056 |
1043 |
0.988 |
164 |
735 |
|
|
14 |
B2 |
1017 |
1011 |
0.994 |
164 |
736 |
|
|
15 |
B2 |
724 |
769 |
1.063 |
164 |
737 |
CH3NH2 |
methyl amine |
1 |
A' |
3299 |
3361 |
1.019 |
165 |
738 |
|
|
2 |
A' |
2997 |
2961 |
0.988 |
165 |
739 |
|
|
3 |
A' |
2840 |
2820 |
0.993 |
165 |
740 |
|
|
4 |
A' |
1681 |
1623 |
0.966 |
165 |
741 |
|
|
5 |
A' |
1518 |
1473 |
0.970 |
165 |
742 |
|
|
6 |
A' |
1456 |
1430 |
0.982 |
165 |
743 |
|
|
7 |
A' |
1137 |
1130 |
0.994 |
165 |
744 |
|
|
8 |
A' |
1031 |
1044 |
1.013 |
165 |
745 |
|
|
9 |
A' |
688 |
780 |
1.134 |
165 |
746 |
|
|
10 |
A" |
3399 |
3427 |
1.008 |
165 |
747 |
|
|
11 |
A" |
3042 |
2985 |
0.981 |
165 |
748 |
|
|
12 |
A" |
1545 |
1485 |
0.961 |
165 |
749 |
|
|
13 |
A" |
1334 |
1335 |
1.000 |
165 |
750 |
|
|
14 |
A" |
972 |
|
|
165 |
751 |
|
|
15 |
A" |
335 |
268 |
0.800 |
165 |
752 |
C3H3N |
acrylonitrile |
1 |
A' |
3196 |
3125 |
0.978 |
166 |
753 |
|
|
2 |
A' |
3107 |
3078 |
0.991 |
166 |
754 |
|
|
3 |
A' |
3101 |
3042 |
0.981 |
166 |
755 |
|
|
4 |
A' |
2238 |
2239 |
1.001 |
166 |
756 |
|
|
5 |
A' |
1628 |
1615 |
0.992 |
166 |
757 |
|
|
6 |
A' |
1450 |
1416 |
0.977 |
166 |
758 |
|
|
7 |
A' |
1317 |
1282 |
0.973 |
166 |
759 |
|
|
8 |
A' |
1113 |
1096 |
0.985 |
166 |
760 |
|
|
9 |
A' |
873 |
869 |
0.996 |
166 |
761 |
|
|
10 |
A' |
607 |
570 |
0.939 |
166 |
762 |
|
|
11 |
A' |
259 |
242 |
0.934 |
166 |
763 |
|
|
12 |
A" |
986 |
972 |
0.985 |
166 |
764 |
|
|
13 |
A" |
953 |
954 |
1.001 |
166 |
765 |
|
|
14 |
A" |
744 |
683 |
0.918 |
166 |
766 |
|
|
15 |
A" |
390 |
362 |
0.929 |
166 |
767 |
C3H2N2 |
Malononitrile |
1 |
A1 |
2983 |
2935 |
0.984 |
167 |
768 |
|
|
2 |
A1 |
2278 |
2275 |
0.999 |
167 |
769 |
|
|
3 |
A1 |
1451 |
1395 |
0.962 |
167 |
770 |
|
|
4 |
A1 |
890 |
890 |
1.000 |
167 |
771 |
|
|
5 |
A1 |
615 |
582 |
0.946 |
167 |
772 |
|
|
6 |
A1 |
166 |
167 |
1.005 |
167 |
773 |
|
|
7 |
A2 |
1284 |
1220 |
0.950 |
167 |
774 |
|
|
8 |
A2 |
448 |
367 |
0.820 |
167 |
775 |
|
|
9 |
B1 |
3019 |
2968 |
0.983 |
167 |
776 |
|
|
10 |
B1 |
938 |
933 |
0.995 |
167 |
777 |
|
|
11 |
B1 |
408 |
337 |
0.827 |
167 |
778 |
|
|
12 |
B2 |
2271 |
2275 |
1.002 |
167 |
779 |
|
|
13 |
B2 |
1337 |
1318 |
0.986 |
167 |
780 |
|
|
14 |
B2 |
970 |
982 |
1.013 |
167 |
781 |
|
|
15 |
B2 |
443 |
366 |
0.826 |
167 |
782 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3485 |
3447 |
0.989 |
168 |
783 |
|
|
2 |
A' |
3246 |
3102 |
0.956 |
168 |
784 |
|
|
3 |
A' |
1371 |
1441 |
1.051 |
168 |
785 |
|
|
4 |
A' |
1314 |
1384 |
1.054 |
168 |
786 |
|
|
5 |
A' |
1164 |
1259 |
1.082 |
168 |
787 |
|
|
6 |
A' |
1107 |
1159 |
1.047 |
168 |
788 |
|
|
7 |
A' |
1017 |
1084 |
1.066 |
168 |
789 |
|
|
8 |
A' |
970 |
1015 |
1.046 |
168 |
790 |
|
|
9 |
A' |
934 |
1002 |
1.073 |
168 |
791 |
|
|
10 |
A' |
803 |
969 |
1.207 |
168 |
792 |
|
|
11 |
A' |
731 |
925 |
1.265 |
168 |
793 |
|
|
12 |
A" |
866 |
906 |
1.046 |
168 |
794 |
|
|
13 |
A" |
659 |
663 |
1.006 |
168 |
795 |
|
|
14 |
A" |
651 |
658 |
1.011 |
168 |
796 |
|
|
15 |
A" |
596 |
578 |
0.969 |
168 |
797 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3101 |
3014 |
0.972 |
169 |
798 |
|
|
2 |
A' |
2975 |
2923 |
0.983 |
169 |
799 |
|
|
3 |
A' |
2784 |
2716 |
0.975 |
169 |
800 |
|
|
4 |
A' |
1699 |
1743 |
1.026 |
169 |
801 |
|
|
5 |
A' |
1470 |
1433 |
0.975 |
169 |
802 |
|
|
6 |
A' |
1410 |
1395 |
0.990 |
169 |
803 |
|
|
7 |
A' |
1372 |
1352 |
0.985 |
169 |
804 |
|
|
8 |
A' |
1099 |
1114 |
1.014 |
169 |
805 |
|
|
9 |
A' |
857 |
867 |
1.011 |
169 |
806 |
|
|
10 |
A' |
477 |
509 |
1.068 |
169 |
807 |
|
|
11 |
A" |
3033 |
2964 |
0.977 |
169 |
808 |
|
|
12 |
A" |
1490 |
1431 |
0.960 |
169 |
809 |
|
|
13 |
A" |
1120 |
1102 |
0.984 |
169 |
810 |
|
|
14 |
A" |
786 |
764 |
0.972 |
169 |
811 |
|
|
15 |
A" |
166 |
150 |
0.905 |
169 |
812 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3046 |
3006 |
0.987 |
170 |
813 |
|
|
2 |
A1 |
1523 |
1467 |
0.963 |
170 |
814 |
|
|
3 |
A1 |
1197 |
1267 |
1.059 |
170 |
815 |
|
|
4 |
A1 |
1086 |
1146 |
1.055 |
170 |
816 |
|
|
5 |
A1 |
822 |
857 |
1.042 |
170 |
817 |
|
|
6 |
A2 |
3119 |
3063 |
0.982 |
170 |
818 |
|
|
7 |
A2 |
1155 |
1050 |
0.909 |
170 |
819 |
|
|
8 |
A2 |
956 |
1020 |
1.067 |
170 |
820 |
|
|
9 |
B1 |
3139 |
3065 |
0.976 |
170 |
821 |
|
|
10 |
B1 |
1074 |
1146 |
1.067 |
170 |
822 |
|
|
11 |
B1 |
812 |
797 |
0.982 |
170 |
823 |
|
|
12 |
B2 |
3036 |
3006 |
0.990 |
170 |
824 |
|
|
13 |
B2 |
1503 |
1459 |
0.970 |
170 |
825 |
|
|
14 |
B2 |
1075 |
1159 |
1.078 |
170 |
826 |
|
|
15 |
B2 |
761 |
824 |
1.082 |
170 |
827 |
H2SO4 |
Sulfuric acid |
1 |
A |
3352 |
3563 |
1.063 |
171 |
828 |
|
|
2 |
A |
1163 |
1216 |
1.046 |
171 |
829 |
|
|
3 |
A |
1077 |
1136 |
1.055 |
171 |
830 |
|
|
4 |
A |
754 |
831 |
1.103 |
171 |
831 |
|
|
5 |
A |
480 |
548 |
1.143 |
171 |
832 |
|
|
6 |
A |
389 |
422 |
1.084 |
171 |
833 |
|
|
7 |
A |
319 |
379 |
1.187 |
171 |
834 |
|
|
8 |
A |
140 |
224 |
1.605 |
171 |
835 |
|
|
9 |
B |
3351 |
3567 |
1.064 |
171 |
836 |
|
|
10 |
B |
1421 |
1452 |
1.022 |
171 |
837 |
|
|
11 |
B |
1103 |
1157 |
1.049 |
171 |
838 |
|
|
12 |
B |
841 |
882 |
1.048 |
171 |
839 |
|
|
13 |
B |
486 |
558 |
1.149 |
171 |
840 |
|
|
14 |
B |
442 |
506 |
1.144 |
171 |
841 |
|
|
15 |
B |
221 |
288 |
1.302 |
171 |
842 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3128 |
3043 |
0.973 |
172 |
843 |
|
|
2 |
A' |
3009 |
2955 |
0.982 |
172 |
844 |
|
|
3 |
A' |
1812 |
1870 |
1.032 |
172 |
845 |
|
|
4 |
A' |
1482 |
1440 |
0.972 |
172 |
846 |
|
|
5 |
A' |
1397 |
1378 |
0.986 |
172 |
847 |
|
|
6 |
A' |
1188 |
1188 |
1.000 |
172 |
848 |
|
|
7 |
A' |
988 |
1000 |
1.012 |
172 |
849 |
|
|
8 |
A' |
815 |
826 |
1.013 |
172 |
850 |
|
|
9 |
A' |
565 |
598 |
1.058 |
172 |
851 |
|
|
10 |
A' |
376 |
420 |
1.117 |
172 |
852 |
|
|
11 |
A" |
3069 |
3004 |
0.979 |
172 |
853 |
|
|
12 |
A" |
1494 |
1437 |
0.962 |
172 |
854 |
|
|
13 |
A" |
1067 |
1054 |
0.988 |
172 |
855 |
|
|
14 |
A" |
558 |
567 |
1.015 |
172 |
856 |
|
|
15 |
A" |
135 |
123 |
0.912 |
172 |
857 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
734 |
774 |
1.054 |
173 |
858 |
|
|
2 |
Eg |
681 |
642 |
0.942 |
173 |
859 |
|
|
3 |
T1u |
1016 |
948 |
0.933 |
173 |
860 |
|
|
4 |
T1u |
544 |
616 |
1.131 |
173 |
861 |
|
|
5 |
T2g |
461 |
525 |
1.139 |
173 |
862 |
|
|
6 |
T2u |
305 |
347 |
1.136 |
173 |
863 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3104 |
3027 |
0.975 |
174 |
864 |
|
|
2 |
A' |
3006 |
2948 |
0.981 |
174 |
865 |
|
|
3 |
A' |
1795 |
1818 |
1.013 |
174 |
866 |
|
|
4 |
A' |
1472 |
1415 |
0.962 |
174 |
867 |
|
|
5 |
A' |
1392 |
1368 |
0.983 |
174 |
868 |
|
|
6 |
A' |
1087 |
1108 |
1.019 |
174 |
869 |
|
|
7 |
A' |
915 |
956 |
1.044 |
174 |
870 |
|
|
8 |
A' |
543 |
604 |
1.113 |
174 |
871 |
|
|
9 |
A' |
388 |
445 |
1.147 |
174 |
872 |
|
|
10 |
A' |
340 |
348 |
1.022 |
174 |
873 |
|
|
11 |
A" |
3078 |
2990 |
0.971 |
174 |
874 |
|
|
12 |
A" |
1482 |
1431 |
0.965 |
174 |
875 |
|
|
13 |
A" |
1052 |
1032 |
0.981 |
174 |
876 |
|
|
14 |
A" |
514 |
518 |
1.007 |
174 |
877 |
|
|
15 |
A" |
149 |
166 |
1.114 |
174 |
878 |
C2H6 |
Ethane |
1 |
A1g |
2983 |
2954 |
0.990 |
175 |
879 |
|
|
2 |
A1g |
1413 |
1388 |
0.982 |
175 |
880 |
|
|
3 |
A1g |
972 |
995 |
1.024 |
175 |
881 |
|
|
4 |
A1u |
306 |
289 |
0.945 |
175 |
882 |
|
|
5 |
A2u |
2984 |
2896 |
0.971 |
175 |
883 |
|
|
6 |
A2u |
1421 |
1379 |
0.971 |
175 |
884 |
|
|
7 |
Eg |
3038 |
2969 |
0.977 |
175 |
885 |
|
|
8 |
Eg |
1527 |
1468 |
0.961 |
175 |
886 |
|
|
9 |
Eg |
1217 |
1190 |
0.978 |
175 |
887 |
|
|
10 |
Eu |
3066 |
2985 |
0.974 |
175 |
888 |
|
|
11 |
Eu |
1528 |
1469 |
0.962 |
175 |
889 |
|
|
12 |
Eu |
838 |
822 |
0.981 |
175 |
890 |
CH3SiH3 |
methyl silane |
7 |
E |
3058 |
2982 |
0.975 |
176 |
891 |
|
|
8 |
E |
2201 |
2169 |
0.985 |
176 |
892 |
|
|
9 |
E |
1486 |
1403 |
0.944 |
176 |
893 |
|
|
10 |
E |
930 |
980 |
1.054 |
176 |
894 |
|
|
11 |
E |
896 |
868 |
0.969 |
176 |
895 |
|
|
12 |
E |
515 |
540 |
1.048 |
176 |
896 |
Si2H6 |
disilane |
1 |
A1g |
2196 |
2152 |
0.980 |
177 |
897 |
|
|
2 |
A1g |
884 |
909 |
1.028 |
177 |
898 |
|
|
3 |
A1g |
436 |
434 |
0.997 |
177 |
899 |
|
|
4 |
A1u |
146 |
131 |
0.896 |
177 |
900 |
|
|
5 |
A2u |
2189 |
2154 |
0.984 |
177 |
901 |
|
|
6 |
A2u |
817 |
844 |
1.032 |
177 |
902 |
|
|
7 |
Eg |
2204 |
2155 |
0.978 |
177 |
903 |
|
|
8 |
Eg |
910 |
929 |
1.021 |
177 |
904 |
|
|
9 |
Eg |
621 |
625 |
1.007 |
177 |
905 |
|
|
10 |
Eu |
2214 |
2179 |
0.984 |
177 |
906 |
|
|
11 |
Eu |
920 |
940 |
1.021 |
177 |
907 |
|
|
12 |
Eu |
376 |
379 |
1.010 |
177 |
908 |
C2H5N |
Aziridine |
1 |
A' |
3205 |
3338 |
1.042 |
178 |
909 |
|
|
2 |
A' |
3169 |
3079 |
0.972 |
178 |
910 |
|
|
3 |
A' |
3075 |
3015 |
0.981 |
178 |
911 |
|
|
4 |
A' |
1501 |
1482 |
0.987 |
178 |
912 |
|
|
5 |
A' |
1288 |
1237 |
0.961 |
178 |
913 |
|
|
6 |
A' |
1137 |
1211 |
1.065 |
178 |
914 |
|
|
7 |
A' |
1058 |
1090 |
1.030 |
178 |
915 |
|
|
8 |
A' |
970 |
998 |
1.029 |
178 |
916 |
|
|
9 |
A' |
818 |
856 |
1.047 |
178 |
917 |
|
|
10 |
A' |
687 |
773 |
1.126 |
178 |
918 |
|
|
11 |
A" |
3159 |
3079 |
0.975 |
178 |
919 |
|
|
12 |
A" |
3069 |
3015 |
0.982 |
178 |
920 |
|
|
13 |
A" |
1487 |
1463 |
0.984 |
178 |
921 |
|
|
14 |
A" |
1238 |
1268 |
1.024 |
178 |
922 |
|
|
15 |
A" |
1130 |
1131 |
1.001 |
178 |
923 |
|
|
16 |
A" |
1056 |
1095 |
1.037 |
178 |
924 |
|
|
17 |
A" |
861 |
904 |
1.050 |
178 |
925 |
|
|
18 |
A" |
757 |
817 |
1.080 |
178 |
926 |
CH3COOH |
Acetic acid |
1 |
A' |
3335 |
3583 |
1.074 |
179 |
927 |
|
|
2 |
A' |
3127 |
3051 |
0.976 |
179 |
928 |
|
|
3 |
A' |
3012 |
2944 |
0.978 |
179 |
929 |
|
|
4 |
A' |
1740 |
1788 |
1.027 |
179 |
930 |
|
|
5 |
A' |
1484 |
1430 |
0.963 |
179 |
931 |
|
|
6 |
A' |
1391 |
1382 |
0.993 |
179 |
932 |
|
|
7 |
A' |
1335 |
1264 |
0.947 |
179 |
933 |
|
|
8 |
A' |
1136 |
1182 |
1.040 |
179 |
934 |
|
|
9 |
A' |
957 |
989 |
1.034 |
179 |
935 |
|
|
10 |
A' |
818 |
847 |
1.036 |
179 |
936 |
|
|
11 |
A' |
542 |
657 |
1.211 |
179 |
937 |
|
|
12 |
A' |
392 |
|
|
179 |
938 |
|
|
13 |
A" |
3075 |
2996 |
0.974 |
179 |
939 |
|
|
14 |
A" |
1496 |
1430 |
0.956 |
179 |
940 |
|
|
15 |
A" |
1063 |
1048 |
0.986 |
179 |
941 |
|
|
16 |
A" |
673 |
642 |
0.954 |
179 |
942 |
|
|
17 |
A" |
540 |
534 |
0.989 |
179 |
943 |
|
|
18 |
A" |
73 |
93 |
1.275 |
179 |
944 |
CH3OCHO |
methyl formate |
1 |
A' |
3125 |
3045 |
0.974 |
180 |
945 |
|
|
2 |
A' |
3001 |
2969 |
0.989 |
180 |
946 |
|
|
3 |
A' |
2981 |
2943 |
0.987 |
180 |
947 |
|
|
4 |
A' |
1684 |
1754 |
1.042 |
180 |
948 |
|
|
5 |
A' |
1512 |
1454 |
0.962 |
180 |
949 |
|
|
6 |
A' |
1428 |
1445 |
1.012 |
180 |
950 |
|
|
7 |
A' |
1345 |
1371 |
1.020 |
180 |
951 |
|
|
8 |
A' |
1138 |
1207 |
1.061 |
180 |
952 |
|
|
9 |
A' |
1095 |
1166 |
1.065 |
180 |
953 |
|
|
10 |
A' |
869 |
925 |
1.064 |
180 |
954 |
|
|
11 |
A' |
728 |
767 |
1.053 |
180 |
955 |
|
|
12 |
A' |
280 |
318 |
1.135 |
180 |
956 |
|
|
13 |
A" |
3072 |
3012 |
0.980 |
180 |
957 |
|
|
14 |
A" |
1495 |
1443 |
0.965 |
180 |
958 |
|
|
15 |
A" |
1119 |
1168 |
1.044 |
180 |
959 |
|
|
16 |
A" |
993 |
1032 |
1.040 |
180 |
960 |
|
|
17 |
A" |
343 |
332 |
0.968 |
180 |
961 |
|
|
18 |
A" |
32 |
130 |
4.120 |
180 |
962 |
C3H3NO |
Isoxazole |
1 |
A' |
3250 |
3160 |
0.972 |
181 |
963 |
|
|
2 |
A' |
3219 |
3128 |
0.972 |
181 |
964 |
|
|
3 |
A' |
3197 |
3086 |
0.965 |
181 |
965 |
|
|
4 |
A' |
1506 |
1561 |
1.037 |
181 |
966 |
|
|
5 |
A' |
1364 |
1433 |
1.050 |
181 |
967 |
|
|
6 |
A' |
1324 |
1371 |
1.036 |
181 |
968 |
|
|
7 |
A' |
1174 |
1218 |
1.038 |
181 |
969 |
|
|
8 |
A' |
1112 |
1130 |
1.016 |
181 |
970 |
|
|
9 |
A' |
1059 |
1096 |
1.035 |
181 |
971 |
|
|
10 |
A' |
994 |
1024 |
1.030 |
181 |
972 |
|
|
11 |
A' |
909 |
920 |
1.011 |
181 |
973 |
|
|
12 |
A' |
870 |
900 |
1.035 |
181 |
974 |
|
|
13 |
A' |
756 |
857 |
1.134 |
181 |
975 |
|
|
14 |
A" |
893 |
890 |
0.996 |
181 |
976 |
|
|
15 |
A" |
852 |
866 |
1.017 |
181 |
977 |
|
|
16 |
A" |
767 |
765 |
0.997 |
181 |
978 |
|
|
17 |
A" |
615 |
631 |
1.025 |
181 |
979 |
|
|
18 |
A" |
569 |
592 |
1.040 |
181 |
980 |
C3H3NO |
Oxazole |
1 |
A' |
3274 |
3170 |
0.968 |
182 |
981 |
|
|
2 |
A' |
3257 |
3144 |
0.965 |
182 |
982 |
|
|
3 |
A' |
3238 |
3141 |
0.970 |
182 |
983 |
|
|
4 |
A' |
1477 |
1537 |
1.041 |
182 |
984 |
|
|
5 |
A' |
1423 |
1504 |
1.057 |
182 |
985 |
|
|
6 |
A' |
1286 |
1324 |
1.029 |
182 |
986 |
|
|
7 |
A' |
1224 |
1252 |
1.023 |
182 |
987 |
|
|
8 |
A' |
1120 |
1139 |
1.017 |
182 |
988 |
|
|
9 |
A' |
1032 |
1086 |
1.052 |
182 |
989 |
|
|
10 |
A' |
1004 |
1078 |
1.074 |
182 |
990 |
|
|
11 |
A' |
955 |
1046 |
1.095 |
182 |
991 |
|
|
12 |
A' |
873 |
899 |
1.030 |
182 |
992 |
|
|
13 |
A' |
853 |
854 |
1.001 |
182 |
993 |
|
|
14 |
A" |
874 |
907 |
1.038 |
182 |
994 |
|
|
15 |
A" |
807 |
830 |
1.028 |
182 |
995 |
|
|
16 |
A" |
758 |
750 |
0.990 |
182 |
996 |
|
|
17 |
A" |
644 |
647 |
1.005 |
182 |
997 |
|
|
18 |
A" |
605 |
607 |
1.003 |
182 |
998 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3037 |
2974 |
0.979 |
183 |
999 |
|
|
2 |
A1 |
1438 |
1412 |
0.982 |
183 |
1000 |
|
|
3 |
A1 |
1247 |
1278 |
1.025 |
183 |
1001 |
|
|
4 |
A1 |
789 |
828 |
1.049 |
183 |
1002 |
|
|
5 |
A1 |
544 |
606 |
1.114 |
183 |
1003 |
|
|
6 |
A2 |
268 |
225 |
0.840 |
183 |
1004 |
|
|
7 |
E |
3120 |
3042 |
0.975 |
183 |
1005 |
|
|
8 |
E |
1509 |
1450 |
0.961 |
183 |
1006 |
|
|
9 |
E |
1265 |
1230 |
0.972 |
183 |
1007 |
|
|
10 |
E |
984 |
964 |
0.979 |
183 |
1008 |
|
|
11 |
E |
495 |
540 |
1.092 |
183 |
1009 |
|
|
12 |
E |
324 |
365 |
1.127 |
183 |
1010 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1302 |
1420 |
1.090 |
184 |
1011 |
|
|
2 |
A1g |
739 |
809 |
1.095 |
184 |
1012 |
|
|
3 |
A1g |
332 |
349 |
1.052 |
184 |
1013 |
|
|
4 |
A1u |
63 |
68 |
1.076 |
184 |
1014 |
|
|
5 |
A2u |
1080 |
1117 |
1.035 |
184 |
1015 |
|
|
6 |
A2u |
634 |
714 |
1.127 |
184 |
1016 |
|
|
7 |
Eg |
1204 |
1237 |
1.028 |
184 |
1017 |
|
|
8 |
Eg |
573 |
620 |
1.082 |
184 |
1018 |
|
|
9 |
Eg |
340 |
380 |
1.119 |
184 |
1019 |
|
|
10 |
Eu |
1248 |
1251 |
1.002 |
184 |
1020 |
|
|
11 |
Eu |
472 |
523 |
1.107 |
184 |
1021 |
|
|
12 |
Eu |
196 |
216 |
1.103 |
184 |
1022 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3063 |
2967 |
0.969 |
185 |
1023 |
|
|
2 |
A' |
3029 |
2946 |
0.972 |
185 |
1024 |
|
|
3 |
A' |
2987 |
2881 |
0.964 |
185 |
1025 |
|
|
4 |
A' |
1520 |
1463 |
0.962 |
185 |
1026 |
|
|
5 |
A' |
1495 |
1448 |
0.968 |
185 |
1027 |
|
|
6 |
A' |
1416 |
1385 |
0.978 |
185 |
1028 |
|
|
7 |
A' |
1301 |
1289 |
0.991 |
185 |
1029 |
|
|
8 |
A' |
1074 |
1081 |
1.007 |
185 |
1030 |
|
|
9 |
A' |
963 |
974 |
1.011 |
185 |
1031 |
|
|
10 |
A' |
627 |
677 |
1.081 |
185 |
1032 |
|
|
11 |
A' |
332 |
336 |
1.014 |
185 |
1033 |
|
|
12 |
A" |
3101 |
3014 |
0.972 |
185 |
1034 |
|
|
13 |
A" |
3073 |
2986 |
0.972 |
185 |
1035 |
|
|
14 |
A" |
1504 |
1448 |
0.963 |
185 |
1036 |
|
|
15 |
A" |
1276 |
1251 |
0.981 |
185 |
1037 |
|
|
16 |
A" |
1070 |
974 |
0.910 |
185 |
1038 |
|
|
17 |
A" |
795 |
786 |
0.988 |
185 |
1039 |
|
|
18 |
A" |
260 |
251 |
0.967 |
185 |
1040 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3046 |
2957 |
0.971 |
186 |
1041 |
|
|
1 |
A |
3086 |
3005 |
0.974 |
186 |
1042 |
|
|
2 |
A |
3028 |
2957 |
0.977 |
186 |
1043 |
|
|
2 |
Ag |
1491 |
1445 |
0.969 |
186 |
1044 |
|
|
3 |
Ag |
1314 |
1304 |
0.993 |
186 |
1045 |
|
|
3 |
A |
1469 |
1433 |
0.976 |
186 |
1046 |
|
|
4 |
A |
1325 |
1315 |
0.992 |
186 |
1047 |
|
|
4 |
Ag |
1018 |
1052 |
1.034 |
186 |
1048 |
|
|
5 |
Ag |
713 |
754 |
1.057 |
186 |
1049 |
|
|
5 |
A |
1218 |
1207 |
0.991 |
186 |
1050 |
|
|
6 |
A |
1010 |
1027 |
1.017 |
186 |
1051 |
|
|
6 |
Ag |
293 |
300 |
1.024 |
186 |
1052 |
|
|
7 |
Au |
3131 |
3005 |
0.960 |
186 |
1053 |
|
|
7 |
A |
931 |
948 |
1.018 |
186 |
1054 |
|
|
8 |
A |
629 |
669 |
1.064 |
186 |
1055 |
|
|
8 |
Au |
1148 |
1123 |
0.978 |
186 |
1056 |
|
|
9 |
Au |
782 |
773 |
0.988 |
186 |
1057 |
|
|
9 |
A |
260 |
272 |
1.047 |
186 |
1058 |
|
|
10 |
A |
111 |
125 |
1.122 |
186 |
1059 |
|
|
10 |
Au |
116 |
123 |
1.064 |
186 |
1060 |
|
|
11 |
Bg |
3105 |
3005 |
0.968 |
186 |
1061 |
|
|
11 |
B |
3103 |
3005 |
0.969 |
186 |
1062 |
|
|
12 |
B |
3020 |
2957 |
0.979 |
186 |
1063 |
|
|
12 |
Bg |
1301 |
1264 |
0.972 |
186 |
1064 |
|
|
13 |
Bg |
988 |
989 |
1.001 |
186 |
1065 |
|
|
13 |
B |
1474 |
1436 |
0.974 |
186 |
1066 |
|
|
14 |
B |
1310 |
1292 |
0.986 |
186 |
1067 |
|
|
14 |
Bu |
3056 |
2983 |
0.976 |
186 |
1068 |
|
|
15 |
Bu |
1495 |
1461 |
0.977 |
186 |
1069 |
|
|
15 |
B |
1170 |
1146 |
0.980 |
186 |
1070 |
|
|
16 |
B |
879 |
890 |
1.012 |
186 |
1071 |
|
|
16 |
Bu |
1253 |
1232 |
0.983 |
186 |
1072 |
|
|
17 |
Bu |
677 |
728 |
1.075 |
186 |
1073 |
|
|
17 |
B |
647 |
693 |
1.071 |
186 |
1074 |
|
|
18 |
B |
410 |
410 |
1.001 |
186 |
1075 |
|
|
18 |
Bu |
213 |
222 |
1.041 |
186 |
1076 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3010 |
2951 |
0.980 |
187 |
1077 |
|
|
2 |
A1 |
1420 |
1386 |
0.976 |
187 |
1078 |
|
|
3 |
A1 |
1028 |
1075 |
1.046 |
187 |
1079 |
|
|
4 |
A1 |
498 |
526 |
1.057 |
187 |
1080 |
|
|
5 |
A1 |
333 |
344 |
1.033 |
187 |
1081 |
|
|
6 |
A2 |
306 |
214 |
0.700 |
187 |
1082 |
|
|
7 |
E |
3099 |
3014 |
0.972 |
187 |
1083 |
|
|
8 |
E |
1493 |
1457 |
0.976 |
187 |
1084 |
|
|
9 |
E |
1106 |
1088 |
0.984 |
187 |
1085 |
|
|
10 |
E |
629 |
724 |
1.151 |
187 |
1086 |
|
|
11 |
E |
339 |
351 |
1.037 |
187 |
1087 |
|
|
12 |
E |
233 |
239 |
1.027 |
187 |
1088 |
C3H6 |
Cyclopropane |
1 |
A1' |
3103 |
3038 |
0.979 |
188 |
1089 |
|
|
2 |
A1' |
1492 |
1479 |
0.991 |
188 |
1090 |
|
|
3 |
A1' |
1147 |
1188 |
1.036 |
188 |
1091 |
|
|
4 |
A1" |
1129 |
1126 |
0.997 |
188 |
1092 |
|
|
5 |
A2' |
1078 |
1070 |
0.993 |
188 |
1093 |
|
|
6 |
A2" |
3201 |
3103 |
0.969 |
188 |
1094 |
|
|
7 |
A2" |
841 |
854 |
1.015 |
188 |
1095 |
|
|
8 |
E' |
3095 |
3025 |
0.977 |
188 |
1096 |
|
|
9 |
E' |
1469 |
1438 |
0.979 |
188 |
1097 |
|
|
10 |
E' |
1038 |
1029 |
0.991 |
188 |
1098 |
|
|
11 |
E' |
844 |
866 |
1.026 |
188 |
1099 |
|
|
12 |
E" |
3176 |
3082 |
0.970 |
188 |
1100 |
|
|
13 |
E" |
1190 |
1188 |
0.998 |
188 |
1101 |
|
|
14 |
E" |
736 |
739 |
1.004 |
188 |
1102 |
CH2CHCH3 |
Propene |
1 |
A' |
3163 |
3090 |
0.977 |
189 |
1103 |
|
|
2 |
A' |
3081 |
3013 |
0.978 |
189 |
1104 |
|
|
3 |
A' |
3074 |
2991 |
0.973 |
189 |
1105 |
|
|
4 |
A' |
3050 |
2954 |
0.968 |
189 |
1106 |
|
|
5 |
A' |
2965 |
2871 |
0.968 |
189 |
1107 |
|
|
6 |
A' |
1672 |
1650 |
0.987 |
189 |
1108 |
|
|
7 |
A' |
1512 |
1470 |
0.972 |
189 |
1109 |
|
|
8 |
A' |
1452 |
1420 |
0.978 |
189 |
1110 |
|
|
9 |
A' |
1412 |
1378 |
0.976 |
189 |
1111 |
|
|
10 |
A' |
1327 |
1297 |
0.978 |
189 |
1112 |
|
|
11 |
A' |
1185 |
1171 |
0.988 |
189 |
1113 |
|
|
12 |
A' |
959 |
963 |
1.005 |
189 |
1114 |
|
|
13 |
A' |
906 |
920 |
1.015 |
189 |
1115 |
|
|
14 |
A' |
426 |
428 |
1.004 |
189 |
1116 |
|
|
15 |
A" |
3016 |
2954 |
0.979 |
189 |
1117 |
|
|
16 |
A" |
1502 |
1443 |
0.961 |
189 |
1118 |
|
|
17 |
A" |
1068 |
1045 |
0.979 |
189 |
1119 |
|
|
18 |
A" |
1008 |
991 |
0.984 |
189 |
1120 |
|
|
19 |
A" |
914 |
912 |
0.998 |
189 |
1121 |
|
|
20 |
A" |
577 |
578 |
1.002 |
189 |
1122 |
|
|
21 |
A" |
201 |
174 |
0.864 |
189 |
1123 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3536 |
3523 |
0.996 |
190 |
1124 |
|
|
2 |
A' |
3243 |
3155 |
0.973 |
190 |
1125 |
|
|
3 |
A' |
3217 |
3137 |
0.975 |
190 |
1126 |
|
|
4 |
A' |
3211 |
3126 |
0.973 |
190 |
1127 |
|
|
5 |
A' |
1485 |
1531 |
1.031 |
190 |
1128 |
|
|
6 |
A' |
1399 |
1447 |
1.034 |
190 |
1129 |
|
|
7 |
A' |
1359 |
1395 |
1.027 |
190 |
1130 |
|
|
8 |
A' |
1308 |
1358 |
1.038 |
190 |
1131 |
|
|
9 |
A' |
1201 |
1254 |
1.044 |
190 |
1132 |
|
|
10 |
A' |
1117 |
1159 |
1.037 |
190 |
1133 |
|
|
11 |
A' |
1106 |
1121 |
1.014 |
190 |
1134 |
|
|
12 |
A' |
1041 |
1054 |
1.012 |
190 |
1135 |
|
|
13 |
A' |
955 |
1009 |
1.057 |
190 |
1136 |
|
|
14 |
A' |
921 |
924 |
1.004 |
190 |
1137 |
|
|
15 |
A' |
902 |
908 |
1.007 |
190 |
1138 |
|
|
16 |
A" |
892 |
879 |
0.985 |
190 |
1139 |
|
|
17 |
A" |
833 |
833 |
1.000 |
190 |
1140 |
|
|
18 |
A" |
745 |
745 |
1.000 |
190 |
1141 |
|
|
19 |
A" |
661 |
674 |
1.020 |
190 |
1142 |
|
|
20 |
A" |
632 |
623 |
0.985 |
190 |
1143 |
|
|
21 |
A" |
554 |
516 |
0.931 |
190 |
1144 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3488 |
3517 |
1.008 |
191 |
1145 |
|
|
2 |
A' |
3244 |
3143 |
0.969 |
191 |
1146 |
|
|
3 |
A' |
3222 |
3123 |
0.969 |
191 |
1147 |
|
|
4 |
A' |
3218 |
3110 |
0.967 |
191 |
1148 |
|
|
5 |
A' |
1482 |
1448 |
0.977 |
191 |
1149 |
|
|
6 |
A' |
1416 |
1404 |
0.991 |
191 |
1150 |
|
|
7 |
A' |
1349 |
1328 |
0.985 |
191 |
1151 |
|
|
8 |
A' |
1282 |
1265 |
0.987 |
191 |
1152 |
|
|
9 |
A' |
1238 |
1188 |
0.960 |
191 |
1153 |
|
|
10 |
A' |
1122 |
1098 |
0.978 |
191 |
1154 |
|
|
11 |
A' |
1088 |
1062 |
0.976 |
191 |
1155 |
|
|
12 |
A' |
1062 |
1013 |
0.954 |
191 |
1156 |
|
|
13 |
A' |
1023 |
988 |
0.965 |
191 |
1157 |
|
|
14 |
A' |
931 |
923 |
0.991 |
191 |
1158 |
|
|
15 |
A' |
884 |
898 |
1.016 |
191 |
1159 |
|
|
16 |
A" |
866 |
831 |
0.960 |
191 |
1160 |
|
|
17 |
A" |
799 |
758 |
0.948 |
191 |
1161 |
|
|
18 |
A" |
733 |
674 |
0.920 |
191 |
1162 |
|
|
19 |
A" |
666 |
663 |
0.996 |
191 |
1163 |
|
|
20 |
A" |
638 |
621 |
0.973 |
191 |
1164 |
|
|
21 |
A" |
611 |
539 |
0.882 |
191 |
1165 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3062 |
2996 |
0.978 |
192 |
1166 |
|
|
2 |
A1 |
2906 |
2817 |
0.969 |
192 |
1167 |
|
|
3 |
A1 |
1543 |
1464 |
0.949 |
192 |
1168 |
|
|
4 |
A1 |
1476 |
1452 |
0.984 |
192 |
1169 |
|
|
5 |
A1 |
1208 |
1244 |
1.030 |
192 |
1170 |
|
|
6 |
A1 |
869 |
928 |
1.068 |
192 |
1171 |
|
|
7 |
A1 |
394 |
418 |
1.060 |
192 |
1172 |
|
|
8 |
A2 |
2939 |
2952 |
1.005 |
192 |
1173 |
|
|
9 |
A2 |
1494 |
1464 |
0.980 |
192 |
1174 |
|
|
10 |
A2 |
1110 |
1150 |
1.036 |
192 |
1175 |
|
|
11 |
A2 |
256 |
203 |
0.793 |
192 |
1176 |
|
|
12 |
B1 |
2936 |
2925 |
0.996 |
192 |
1177 |
|
|
13 |
B1 |
1501 |
1464 |
0.975 |
192 |
1178 |
|
|
14 |
B1 |
1145 |
1179 |
1.029 |
192 |
1179 |
|
|
15 |
B1 |
249 |
242 |
0.970 |
192 |
1180 |
|
|
16 |
B2 |
3060 |
2996 |
0.979 |
192 |
1181 |
|
|
17 |
B2 |
2892 |
2817 |
0.974 |
192 |
1182 |
|
|
18 |
B2 |
1521 |
1464 |
0.962 |
192 |
1183 |
|
|
19 |
B2 |
1434 |
1452 |
1.012 |
192 |
1184 |
|
|
20 |
B2 |
1110 |
1227 |
1.106 |
192 |
1185 |
|
|
21 |
B2 |
1053 |
1102 |
1.046 |
192 |
1186 |
C4H4O |
Furan |
1 |
A1 |
3259 |
3161 |
0.970 |
193 |
1187 |
|
|
2 |
A1 |
3222 |
3140 |
0.975 |
193 |
1188 |
|
|
3 |
A1 |
1442 |
1491 |
1.034 |
193 |
1189 |
|
|
4 |
A1 |
1359 |
1384 |
1.019 |
193 |
1190 |
|
|
5 |
A1 |
1130 |
1140 |
1.009 |
193 |
1191 |
|
|
6 |
A1 |
1054 |
1066 |
1.011 |
193 |
1192 |
|
|
7 |
A1 |
974 |
995 |
1.021 |
193 |
1193 |
|
|
8 |
A1 |
853 |
871 |
1.021 |
193 |
1194 |
|
|
9 |
A2 |
867 |
838 |
0.967 |
193 |
1195 |
|
|
10 |
A2 |
714 |
728 |
1.019 |
193 |
1196 |
|
|
11 |
A2 |
604 |
603 |
0.998 |
193 |
1197 |
|
|
12 |
B1 |
835 |
863 |
1.033 |
193 |
1198 |
|
|
13 |
B1 |
737 |
745 |
1.011 |
193 |
1199 |
|
|
14 |
B1 |
600 |
613 |
1.021 |
193 |
1200 |
|
|
15 |
B2 |
3249 |
3154 |
0.971 |
193 |
1201 |
|
|
16 |
B2 |
3210 |
3129 |
0.975 |
193 |
1202 |
|
|
17 |
B2 |
1528 |
1556 |
1.018 |
193 |
1203 |
|
|
18 |
B2 |
1253 |
1267 |
1.011 |
193 |
1204 |
|
|
19 |
B2 |
1142 |
1180 |
1.033 |
193 |
1205 |
|
|
20 |
B2 |
1001 |
1040 |
1.039 |
193 |
1206 |
|
|
21 |
B2 |
880 |
873 |
0.993 |
193 |
1207 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3050 |
3001 |
0.984 |
194 |
1208 |
|
|
2 |
A' |
3042 |
2935 |
0.965 |
194 |
1209 |
|
|
3 |
A' |
1853 |
1882 |
1.016 |
194 |
1210 |
|
|
4 |
A' |
1509 |
1475 |
0.977 |
194 |
1211 |
|
|
5 |
A' |
1447 |
1427 |
0.986 |
194 |
1212 |
|
|
6 |
A' |
1261 |
1319 |
1.046 |
194 |
1213 |
|
|
7 |
A' |
1209 |
1199 |
0.992 |
194 |
1214 |
|
|
8 |
A' |
987 |
1093 |
1.107 |
194 |
1215 |
|
|
9 |
A' |
967 |
1005 |
1.040 |
194 |
1216 |
|
|
10 |
A' |
840 |
924 |
1.099 |
194 |
1217 |
|
|
11 |
A' |
831 |
891 |
1.073 |
194 |
1218 |
|
|
12 |
A' |
698 |
746 |
1.068 |
194 |
1219 |
|
|
13 |
A' |
456 |
513 |
1.125 |
194 |
1220 |
|
|
14 |
A" |
3121 |
3028 |
0.970 |
194 |
1221 |
|
|
15 |
A" |
3101 |
3000 |
0.968 |
194 |
1222 |
|
|
16 |
A" |
1193 |
1184 |
0.992 |
194 |
1223 |
|
|
17 |
A" |
1081 |
1139 |
1.054 |
194 |
1224 |
|
|
18 |
A" |
1023 |
1046 |
1.022 |
194 |
1225 |
|
|
19 |
A" |
785 |
790 |
1.006 |
194 |
1226 |
|
|
20 |
A" |
497 |
490 |
0.985 |
194 |
1227 |
|
|
21 |
A" |
165 |
113 |
0.685 |
194 |
1228 |
CH3CH2SH |
ethanethiol |
1 |
A |
3079 |
2980 |
0.968 |
195 |
1229 |
|
|
1 |
A' |
3064 |
2966 |
0.968 |
195 |
1230 |
|
|
2 |
A' |
3001 |
2872 |
0.957 |
195 |
1231 |
|
|
2 |
A |
3054 |
2967 |
0.971 |
195 |
1232 |
|
|
3 |
A |
3042 |
2930 |
0.963 |
195 |
1233 |
|
|
3 |
A' |
2989 |
2872 |
0.961 |
195 |
1234 |
|
|
4 |
A' |
2613 |
2580 |
0.987 |
195 |
1235 |
|
|
4 |
A |
3004 |
2902 |
0.966 |
195 |
1236 |
|
|
5 |
A |
2980 |
2875 |
0.965 |
195 |
1237 |
|
|
5 |
A' |
1524 |
1453 |
0.953 |
195 |
1238 |
|
|
6 |
A' |
1495 |
1453 |
0.972 |
195 |
1239 |
|
|
6 |
A |
2616 |
2591 |
0.990 |
195 |
1240 |
|
|
7 |
A |
1519 |
1462 |
0.962 |
195 |
1241 |
|
|
7 |
A' |
1417 |
1385 |
0.977 |
195 |
1242 |
|
|
8 |
A' |
1292 |
1309 |
1.013 |
195 |
1243 |
|
|
8 |
A |
1512 |
1452 |
0.961 |
195 |
1244 |
|
|
9 |
A |
1489 |
1437 |
0.965 |
195 |
1245 |
|
|
9 |
A' |
1100 |
1097 |
0.997 |
195 |
1246 |
|
|
10 |
A' |
980 |
978 |
0.998 |
195 |
1247 |
|
|
10 |
A |
1414 |
1377 |
0.974 |
195 |
1248 |
|
|
11 |
A |
1297 |
1269 |
0.979 |
195 |
1249 |
|
|
11 |
A' |
847 |
870 |
1.027 |
195 |
1250 |
|
|
12 |
A' |
650 |
660 |
1.016 |
195 |
1251 |
|
|
12 |
A |
1281 |
1246 |
0.973 |
195 |
1252 |
|
|
13 |
A |
1119 |
1093 |
0.977 |
195 |
1253 |
|
|
13 |
A' |
304 |
332 |
1.094 |
195 |
1254 |
|
|
14 |
A" |
3076 |
2966 |
0.964 |
195 |
1255 |
|
|
14 |
A |
1055 |
1051 |
0.996 |
195 |
1256 |
|
|
15 |
A |
965 |
970 |
1.005 |
195 |
1257 |
|
|
15 |
A" |
3046 |
2930 |
0.962 |
195 |
1258 |
|
|
16 |
A" |
1515 |
1453 |
0.959 |
195 |
1259 |
|
|
16 |
A |
883 |
867 |
0.982 |
195 |
1260 |
|
|
17 |
A |
739 |
735 |
0.994 |
195 |
1261 |
|
|
17 |
A" |
1274 |
1269 |
0.996 |
195 |
1262 |
|
|
18 |
A" |
1048 |
1049 |
1.001 |
195 |
1263 |
|
|
18 |
A |
636 |
658 |
1.034 |
195 |
1264 |
|
|
19 |
A |
330 |
319 |
0.966 |
195 |
1265 |
|
|
19 |
A" |
797 |
745 |
0.935 |
195 |
1266 |
|
|
20 |
A |
268 |
|
|
195 |
1267 |
|
|
21 |
A |
242 |
|
|
195 |
1268 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3073 |
2997 |
0.975 |
196 |
1269 |
|
|
2 |
A1 |
2972 |
2925 |
0.984 |
196 |
1270 |
|
|
3 |
A1 |
1508 |
1447 |
0.960 |
196 |
1271 |
|
|
4 |
A1 |
1384 |
1337 |
0.966 |
196 |
1272 |
|
|
5 |
A1 |
1060 |
1030 |
0.972 |
196 |
1273 |
|
|
6 |
A1 |
670 |
695 |
1.037 |
196 |
1274 |
|
|
7 |
A1 |
257 |
280 |
1.091 |
196 |
1275 |
|
|
8 |
A2 |
3053 |
2970 |
0.973 |
196 |
1276 |
|
|
9 |
A2 |
1486 |
1427 |
0.961 |
196 |
1277 |
|
|
10 |
A2 |
960 |
946 |
0.986 |
196 |
1278 |
|
|
11 |
A2 |
191 |
175 |
0.914 |
196 |
1279 |
|
|
12 |
B1 |
3047 |
2970 |
0.975 |
196 |
1280 |
|
|
13 |
B1 |
1495 |
1439 |
0.962 |
196 |
1281 |
|
|
14 |
B1 |
999 |
973 |
0.974 |
196 |
1282 |
|
|
15 |
B1 |
183 |
183 |
1.001 |
196 |
1283 |
|
|
16 |
B2 |
3073 |
2999 |
0.976 |
196 |
1284 |
|
|
17 |
B2 |
2975 |
2919 |
0.981 |
196 |
1285 |
|
|
18 |
B2 |
1498 |
1442 |
0.963 |
196 |
1286 |
|
|
19 |
B2 |
1360 |
1315 |
0.967 |
196 |
1287 |
|
|
20 |
B2 |
924 |
903 |
0.977 |
196 |
1288 |
|
|
21 |
B2 |
715 |
742 |
1.037 |
196 |
1289 |
C4H4S |
Thiophene |
1 |
A1 |
3212 |
3126 |
0.973 |
197 |
1290 |
|
|
2 |
A1 |
3178 |
3098 |
0.975 |
197 |
1291 |
|
|
3 |
A1 |
1397 |
1409 |
1.009 |
197 |
1292 |
|
|
4 |
A1 |
1366 |
1360 |
0.996 |
197 |
1293 |
|
|
5 |
A1 |
1109 |
1083 |
0.976 |
197 |
1294 |
|
|
6 |
A1 |
1035 |
1036 |
1.001 |
197 |
1295 |
|
|
7 |
A1 |
827 |
872 |
1.054 |
197 |
1296 |
|
|
8 |
A1 |
621 |
608 |
0.979 |
197 |
1297 |
|
|
9 |
A2 |
904 |
867 |
0.959 |
197 |
1298 |
|
|
10 |
A2 |
683 |
688 |
1.007 |
197 |
1299 |
|
|
11 |
A2 |
577 |
567 |
0.983 |
197 |
1300 |
|
|
12 |
B1 |
869 |
839 |
0.966 |
197 |
1301 |
|
|
13 |
B1 |
719 |
712 |
0.991 |
197 |
1302 |
|
|
14 |
B1 |
458 |
452 |
0.987 |
197 |
1303 |
|
|
15 |
B2 |
3207 |
3125 |
0.974 |
197 |
1304 |
|
|
16 |
B2 |
3164 |
3086 |
0.975 |
197 |
1305 |
|
|
17 |
B2 |
1499 |
1504 |
1.003 |
197 |
1306 |
|
|
18 |
B2 |
1270 |
1256 |
0.989 |
197 |
1307 |
|
|
19 |
B2 |
1104 |
1085 |
0.983 |
197 |
1308 |
|
|
20 |
B2 |
875 |
903 |
1.032 |
197 |
1309 |
|
|
21 |
B2 |
740 |
751 |
1.015 |
197 |
1310 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3174 |
3087 |
0.973 |
198 |
1311 |
|
|
2 |
Ag |
3087 |
3003 |
0.973 |
198 |
1312 |
|
|
3 |
Ag |
3072 |
2992 |
0.974 |
198 |
1313 |
|
|
4 |
Ag |
1651 |
1630 |
0.987 |
198 |
1314 |
|
|
5 |
Ag |
1475 |
1438 |
0.975 |
198 |
1315 |
|
|
6 |
Ag |
1311 |
1280 |
0.976 |
198 |
1316 |
|
|
7 |
Ag |
1220 |
1196 |
0.980 |
198 |
1317 |
|
|
8 |
Ag |
887 |
894 |
1.008 |
198 |
1318 |
|
|
9 |
Ag |
522 |
512 |
0.981 |
198 |
1319 |
|
|
10 |
Au |
1032 |
1013 |
0.981 |
198 |
1320 |
|
|
11 |
Au |
906 |
908 |
1.002 |
198 |
1321 |
|
|
12 |
Au |
521 |
522 |
1.002 |
198 |
1322 |
|
|
13 |
Au |
175 |
162 |
0.925 |
198 |
1323 |
|
|
14 |
Bg |
972 |
976 |
1.004 |
198 |
1324 |
|
|
15 |
Bg |
909 |
912 |
1.004 |
198 |
1325 |
|
|
16 |
Bg |
761 |
770 |
1.012 |
198 |
1326 |
|
|
17 |
Bu |
3175 |
3101 |
0.977 |
198 |
1327 |
|
|
18 |
Bu |
3088 |
3055 |
0.989 |
198 |
1328 |
|
|
19 |
Bu |
3084 |
2984 |
0.968 |
198 |
1329 |
|
|
20 |
Bu |
1616 |
1596 |
0.987 |
198 |
1330 |
|
|
21 |
Bu |
1422 |
1381 |
0.971 |
198 |
1331 |
|
|
22 |
Bu |
1323 |
1294 |
0.978 |
198 |
1332 |
|
|
23 |
Bu |
1013 |
990 |
0.978 |
198 |
1333 |
|
|
24 |
Bu |
294 |
301 |
1.022 |
198 |
1334 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3082 |
3061 |
0.993 |
199 |
1335 |
|
|
2 |
A' |
3059 |
3010 |
0.984 |
199 |
1336 |
|
|
3 |
A' |
3057 |
2965 |
0.970 |
199 |
1337 |
|
|
4 |
A' |
2973 |
2905 |
0.977 |
199 |
1338 |
|
|
5 |
A' |
2026 |
1970 |
0.973 |
199 |
1339 |
|
|
6 |
A' |
1516 |
1453 |
0.959 |
199 |
1340 |
|
|
7 |
A' |
1473 |
1437 |
0.976 |
199 |
1341 |
|
|
8 |
A' |
1405 |
1389 |
0.988 |
199 |
1342 |
|
|
9 |
A' |
1352 |
1330 |
0.984 |
199 |
1343 |
|
|
10 |
A' |
1139 |
1132 |
0.993 |
199 |
1344 |
|
|
11 |
A' |
1083 |
1074 |
0.992 |
199 |
1345 |
|
|
12 |
A' |
864 |
876 |
1.014 |
199 |
1346 |
|
|
13 |
A' |
856 |
859 |
1.003 |
199 |
1347 |
|
|
14 |
A' |
558 |
555 |
0.995 |
199 |
1348 |
|
|
15 |
A' |
200 |
210 |
1.048 |
199 |
1349 |
|
|
16 |
A" |
3126 |
3061 |
0.979 |
199 |
1350 |
|
|
17 |
A" |
3026 |
2965 |
0.980 |
199 |
1351 |
|
|
18 |
A" |
1505 |
1453 |
0.965 |
199 |
1352 |
|
|
19 |
A" |
1058 |
1110 |
1.049 |
199 |
1353 |
|
|
20 |
A" |
1027 |
1011 |
0.985 |
199 |
1354 |
|
|
21 |
A" |
880 |
842 |
0.957 |
199 |
1355 |
|
|
22 |
A" |
524 |
523 |
0.998 |
199 |
1356 |
|
|
23 |
A" |
319 |
322 |
1.010 |
199 |
1357 |
C4H6 |
Cyclobutene |
1 |
A1 |
3179 |
3060 |
0.963 |
200 |
1358 |
|
|
2 |
A1 |
3012 |
2935 |
0.975 |
200 |
1359 |
|
|
3 |
A1 |
1567 |
1570 |
1.002 |
200 |
1360 |
|
|
4 |
A1 |
1473 |
1450 |
0.984 |
200 |
1361 |
|
|
5 |
A1 |
1172 |
1276 |
1.088 |
200 |
1362 |
|
|
6 |
A1 |
1098 |
1186 |
1.080 |
200 |
1363 |
|
|
7 |
A1 |
965 |
1113 |
1.153 |
200 |
1364 |
|
|
8 |
A1 |
844 |
886 |
1.050 |
200 |
1365 |
|
|
9 |
A2 |
3057 |
2955 |
0.967 |
200 |
1366 |
|
|
10 |
A2 |
1153 |
1276 |
1.107 |
200 |
1367 |
|
|
11 |
A2 |
1002 |
1081 |
1.079 |
200 |
1368 |
|
|
12 |
A2 |
919 |
850 |
0.925 |
200 |
1369 |
|
|
13 |
A2 |
309 |
325 |
1.051 |
200 |
1370 |
|
|
14 |
B1 |
3073 |
2955 |
0.962 |
200 |
1371 |
|
|
15 |
B1 |
1095 |
1074 |
0.981 |
200 |
1372 |
|
|
16 |
B1 |
853 |
846 |
0.992 |
200 |
1373 |
|
|
17 |
B1 |
640 |
635 |
0.992 |
200 |
1374 |
|
|
18 |
B2 |
3141 |
3047 |
0.970 |
200 |
1375 |
|
|
19 |
B2 |
3005 |
2916 |
0.970 |
200 |
1376 |
|
|
20 |
B2 |
1459 |
1427 |
0.978 |
200 |
1377 |
|
|
21 |
B2 |
1272 |
1294 |
1.017 |
200 |
1378 |
|
|
22 |
B2 |
1210 |
1214 |
1.004 |
200 |
1379 |
|
|
23 |
B2 |
872 |
888 |
1.019 |
200 |
1380 |
|
|
24 |
B2 |
851 |
740 |
0.869 |
200 |
1381 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3074 |
3010 |
0.979 |
201 |
1382 |
|
|
2 |
A1 |
3072 |
3002 |
0.977 |
201 |
1383 |
|
|
3 |
A1 |
1797 |
1743 |
0.970 |
201 |
1384 |
|
|
4 |
A1 |
1479 |
1437 |
0.972 |
201 |
1385 |
|
|
5 |
A1 |
1450 |
1410 |
0.972 |
201 |
1386 |
|
|
6 |
A1 |
1026 |
1036 |
1.010 |
201 |
1387 |
|
|
7 |
A1 |
1003 |
1002 |
0.999 |
201 |
1388 |
|
|
8 |
A1 |
703 |
723 |
1.029 |
201 |
1389 |
|
|
9 |
A2 |
3147 |
3051 |
0.970 |
201 |
1390 |
|
|
10 |
A2 |
1142 |
1144 |
1.002 |
201 |
1391 |
|
|
11 |
A2 |
952 |
937 |
0.984 |
201 |
1392 |
|
|
12 |
A2 |
619 |
616 |
0.995 |
201 |
1393 |
|
|
13 |
B1 |
3162 |
3071 |
0.971 |
201 |
1394 |
|
|
14 |
B1 |
1092 |
1072 |
0.982 |
201 |
1395 |
|
|
15 |
B1 |
906 |
889 |
0.981 |
201 |
1396 |
|
|
16 |
B1 |
751 |
748 |
0.996 |
201 |
1397 |
|
|
17 |
B1 |
310 |
360 |
1.160 |
201 |
1398 |
|
|
18 |
B2 |
3152 |
3086 |
0.979 |
201 |
1399 |
|
|
19 |
B2 |
3070 |
2999 |
0.977 |
201 |
1400 |
|
|
20 |
B2 |
1446 |
1353 |
0.936 |
201 |
1401 |
|
|
21 |
B2 |
1138 |
1174 |
1.031 |
201 |
1402 |
|
|
22 |
B2 |
1058 |
1125 |
1.063 |
201 |
1403 |
|
|
23 |
B2 |
875 |
792 |
0.905 |
201 |
1404 |
|
|
24 |
B2 |
358 |
290 |
0.811 |
201 |
1405 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3275 |
3345 |
1.022 |
202 |
1406 |
|
|
2 |
A' |
3042 |
2985 |
0.981 |
202 |
1407 |
|
|
3 |
A' |
2982 |
2840 |
0.952 |
202 |
1408 |
|
|
4 |
A' |
2966 |
2860 |
0.964 |
202 |
1409 |
|
|
5 |
A' |
1677 |
1622 |
0.967 |
202 |
1410 |
|
|
6 |
A' |
1517 |
1487 |
0.980 |
202 |
1411 |
|
|
7 |
A' |
1494 |
1465 |
0.981 |
202 |
1412 |
|
|
8 |
A' |
1401 |
1378 |
0.983 |
202 |
1413 |
|
|
9 |
A' |
1353 |
1397 |
1.033 |
202 |
1414 |
|
|
10 |
A' |
1132 |
1016 |
0.897 |
202 |
1415 |
|
|
11 |
A' |
1011 |
1086 |
1.074 |
202 |
1416 |
|
|
12 |
A' |
870 |
892 |
1.026 |
202 |
1417 |
|
|
13 |
A' |
715 |
773 |
1.082 |
202 |
1418 |
|
|
14 |
A' |
379 |
403 |
1.062 |
202 |
1419 |
|
|
15 |
A" |
3374 |
3412 |
1.011 |
202 |
1420 |
|
|
16 |
A" |
3052 |
2924 |
0.958 |
202 |
1421 |
|
|
17 |
A" |
3017 |
2906 |
0.963 |
202 |
1422 |
|
|
18 |
A" |
1518 |
1455 |
0.959 |
202 |
1423 |
|
|
19 |
A" |
1375 |
1238 |
0.900 |
202 |
1424 |
|
|
20 |
A" |
1267 |
1293 |
1.021 |
202 |
1425 |
|
|
21 |
A" |
1003 |
1117 |
1.114 |
202 |
1426 |
|
|
22 |
A" |
770 |
816 |
1.060 |
202 |
1427 |
|
|
23 |
A" |
313 |
259 |
0.828 |
202 |
1428 |
|
|
24 |
A" |
257 |
218 |
0.850 |
202 |
1429 |
C4H5N |
Pyrrole |
1 |
A1 |
3526 |
3531 |
1.001 |
203 |
1430 |
|
|
2 |
A1 |
3237 |
3149 |
0.973 |
203 |
1431 |
|
|
3 |
A1 |
3212 |
3128 |
0.974 |
203 |
1432 |
|
|
4 |
A1 |
1441 |
1472 |
1.022 |
203 |
1433 |
|
|
5 |
A1 |
1370 |
1401 |
1.023 |
203 |
1434 |
|
|
6 |
A1 |
1137 |
1148 |
1.010 |
203 |
1435 |
|
|
7 |
A1 |
1086 |
1075 |
0.990 |
203 |
1436 |
|
|
8 |
A1 |
1012 |
1017 |
1.005 |
203 |
1437 |
|
|
9 |
A1 |
901 |
882 |
0.979 |
203 |
1438 |
|
|
10 |
A2 |
862 |
864 |
1.002 |
203 |
1439 |
|
|
11 |
A2 |
673 |
692 |
1.029 |
203 |
1440 |
|
|
12 |
A2 |
622 |
614 |
0.987 |
203 |
1441 |
|
|
13 |
B1 |
817 |
827 |
1.012 |
203 |
1442 |
|
|
14 |
B1 |
713 |
722 |
1.013 |
203 |
1443 |
|
|
15 |
B1 |
631 |
621 |
0.983 |
203 |
1444 |
|
|
16 |
B1 |
559 |
475 |
0.849 |
203 |
1445 |
|
|
17 |
B2 |
3227 |
3143 |
0.974 |
203 |
1446 |
|
|
18 |
B2 |
3201 |
3119 |
0.974 |
203 |
1447 |
|
|
19 |
B2 |
1526 |
1519 |
0.995 |
203 |
1448 |
|
|
20 |
B2 |
1396 |
1424 |
1.020 |
203 |
1449 |
|
|
21 |
B2 |
1287 |
1288 |
1.001 |
203 |
1450 |
|
|
22 |
B2 |
1148 |
1134 |
0.988 |
203 |
1451 |
|
|
23 |
B2 |
1042 |
1049 |
1.006 |
203 |
1452 |
|
|
24 |
B2 |
883 |
866 |
0.980 |
203 |
1453 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3213 |
3120 |
0.971 |
204 |
1454 |
|
|
2 |
A' |
3131 |
3052 |
0.975 |
204 |
1455 |
|
|
3 |
A' |
3111 |
3044 |
0.978 |
204 |
1456 |
|
|
4 |
A' |
2254 |
2264 |
1.005 |
204 |
1457 |
|
|
5 |
A' |
1477 |
1468 |
0.994 |
204 |
1458 |
|
|
6 |
A' |
1345 |
1344 |
1.000 |
204 |
1459 |
|
|
7 |
A' |
1158 |
1195 |
1.032 |
204 |
1460 |
|
|
8 |
A' |
1129 |
1125 |
0.996 |
204 |
1461 |
|
|
9 |
A' |
1047 |
1049 |
1.002 |
204 |
1462 |
|
|
10 |
A' |
929 |
941 |
1.013 |
204 |
1463 |
|
|
11 |
A' |
798 |
808 |
1.012 |
204 |
1464 |
|
|
12 |
A' |
747 |
736 |
0.985 |
204 |
1465 |
|
|
13 |
A' |
548 |
527 |
0.961 |
204 |
1466 |
|
|
14 |
A' |
231 |
222 |
0.960 |
204 |
1467 |
|
|
15 |
A" |
3196 |
3094 |
0.968 |
204 |
1468 |
|
|
16 |
A" |
3108 |
3040 |
0.978 |
204 |
1469 |
|
|
17 |
A" |
1463 |
1442 |
0.985 |
204 |
1470 |
|
|
18 |
A" |
1178 |
1180 |
1.002 |
204 |
1471 |
|
|
19 |
A" |
1089 |
1070 |
0.983 |
204 |
1472 |
|
|
20 |
A" |
1071 |
1088 |
1.016 |
204 |
1473 |
|
|
21 |
A" |
869 |
880 |
1.012 |
204 |
1474 |
|
|
22 |
A" |
798 |
821 |
1.029 |
204 |
1475 |
|
|
23 |
A" |
589 |
543 |
0.921 |
204 |
1476 |
|
|
24 |
A" |
230 |
222 |
0.966 |
204 |
1477 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3159 |
3063 |
0.969 |
205 |
1478 |
|
|
2 |
A1 |
3123 |
3043 |
0.974 |
205 |
1479 |
|
|
3 |
A1 |
1548 |
1572 |
1.015 |
205 |
1480 |
|
|
4 |
A1 |
1400 |
1414 |
1.010 |
205 |
1481 |
|
|
5 |
A1 |
1188 |
1283 |
1.080 |
205 |
1482 |
|
|
6 |
A1 |
1112 |
1160 |
1.044 |
205 |
1483 |
|
|
7 |
A1 |
1024 |
1063 |
1.039 |
205 |
1484 |
|
|
8 |
A1 |
833 |
964 |
1.157 |
205 |
1485 |
|
|
9 |
A1 |
668 |
619 |
0.926 |
205 |
1486 |
|
|
10 |
A2 |
1018 |
936 |
0.920 |
205 |
1487 |
|
|
11 |
A2 |
933 |
863 |
0.925 |
205 |
1488 |
|
|
12 |
A2 |
758 |
751 |
0.991 |
205 |
1489 |
|
|
13 |
A2 |
341 |
421 |
1.235 |
205 |
1490 |
|
|
14 |
B1 |
976 |
|
|
205 |
1491 |
|
|
15 |
B1 |
748 |
760 |
1.016 |
205 |
1492 |
|
|
16 |
B1 |
346 |
370 |
1.071 |
205 |
1493 |
|
|
17 |
B2 |
3142 |
3075 |
0.979 |
205 |
1494 |
|
|
18 |
B2 |
3119 |
3043 |
0.975 |
205 |
1495 |
|
|
19 |
B2 |
1511 |
1565 |
1.036 |
205 |
1496 |
|
|
20 |
B2 |
1400 |
1444 |
1.031 |
205 |
1497 |
|
|
21 |
B2 |
1267 |
1239 |
0.978 |
205 |
1498 |
|
|
22 |
B2 |
1055 |
1052 |
0.998 |
205 |
1499 |
|
|
23 |
B2 |
1006 |
1009 |
1.003 |
205 |
1500 |
|
|
24 |
B2 |
617 |
664 |
1.075 |
205 |
1501 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3155 |
3082 |
0.977 |
206 |
1502 |
|
|
2 |
A1 |
3133 |
3053 |
0.975 |
206 |
1503 |
|
|
3 |
A1 |
3110 |
3049 |
0.980 |
206 |
1504 |
|
|
4 |
A1 |
1505 |
1572 |
1.044 |
206 |
1505 |
|
|
5 |
A1 |
1368 |
1465 |
1.071 |
206 |
1506 |
|
|
6 |
A1 |
1134 |
1155 |
1.019 |
206 |
1507 |
|
|
7 |
A1 |
1062 |
1065 |
1.003 |
206 |
1508 |
|
|
8 |
A1 |
942 |
969 |
1.029 |
206 |
1509 |
|
|
9 |
A1 |
682 |
679 |
0.995 |
206 |
1510 |
|
|
10 |
A2 |
977 |
960 |
0.982 |
206 |
1511 |
|
|
11 |
A2 |
395 |
398 |
1.006 |
206 |
1512 |
|
|
12 |
B1 |
1018 |
1033 |
1.015 |
206 |
1513 |
|
|
13 |
B1 |
972 |
980 |
1.009 |
206 |
1514 |
|
|
14 |
B1 |
813 |
804 |
0.989 |
206 |
1515 |
|
|
15 |
B1 |
741 |
719 |
0.971 |
206 |
1516 |
|
|
16 |
B1 |
325 |
347 |
1.067 |
206 |
1517 |
|
|
17 |
B2 |
3113 |
3047 |
0.979 |
206 |
1518 |
|
|
18 |
B2 |
1512 |
1569 |
1.038 |
206 |
1519 |
|
|
19 |
B2 |
1435 |
1411 |
0.984 |
206 |
1520 |
|
|
20 |
B2 |
1372 |
1356 |
0.988 |
206 |
1521 |
|
|
21 |
B2 |
1211 |
1224 |
1.010 |
206 |
1522 |
|
|
22 |
B2 |
1144 |
1158 |
1.012 |
206 |
1523 |
|
|
23 |
B2 |
1045 |
1071 |
1.025 |
206 |
1524 |
|
|
24 |
B2 |
625 |
621 |
0.994 |
206 |
1525 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3134 |
3055 |
0.975 |
207 |
1526 |
|
|
2 |
Ag |
1506 |
1580 |
1.049 |
207 |
1527 |
|
|
3 |
Ag |
1233 |
1233 |
1.000 |
207 |
1528 |
|
|
4 |
Ag |
992 |
1016 |
1.024 |
207 |
1529 |
|
|
5 |
Ag |
606 |
602 |
0.993 |
207 |
1530 |
|
|
6 |
Au |
1001 |
960 |
0.959 |
207 |
1531 |
|
|
7 |
Au |
297 |
350 |
1.179 |
207 |
1532 |
|
|
8 |
B1g |
937 |
927 |
0.989 |
207 |
1533 |
|
|
9 |
B1u |
3109 |
3012 |
0.969 |
207 |
1534 |
|
|
10 |
B1u |
1455 |
1483 |
1.019 |
207 |
1535 |
|
|
11 |
B1u |
1130 |
1130 |
1.000 |
207 |
1536 |
|
|
12 |
B1u |
974 |
1018 |
1.045 |
207 |
1537 |
|
|
13 |
B2g |
1002 |
983 |
0.981 |
207 |
1538 |
|
|
14 |
B2g |
780 |
756 |
0.969 |
207 |
1539 |
|
|
15 |
B2u |
3124 |
3069 |
0.982 |
207 |
1540 |
|
|
16 |
B2u |
1401 |
1411 |
1.007 |
207 |
1541 |
|
|
17 |
B2u |
1169 |
1149 |
0.983 |
207 |
1542 |
|
|
18 |
B2u |
1046 |
1063 |
1.016 |
207 |
1543 |
|
|
19 |
B3g |
3106 |
3040 |
0.979 |
207 |
1544 |
|
|
20 |
B3g |
1455 |
1525 |
1.048 |
207 |
1545 |
|
|
21 |
B3g |
1354 |
1346 |
0.994 |
207 |
1546 |
|
|
22 |
B3g |
707 |
704 |
0.996 |
207 |
1547 |
|
|
23 |
B3u |
795 |
785 |
0.987 |
207 |
1548 |
|
|
24 |
B3u |
423 |
418 |
0.988 |
207 |
1549 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3352 |
3675 |
1.096 |
208 |
1550 |
|
|
2 |
A |
3167 |
3102 |
0.980 |
208 |
1551 |
|
|
3 |
A |
3105 |
3022 |
0.973 |
208 |
1552 |
|
|
4 |
A |
3080 |
2995 |
0.972 |
208 |
1553 |
|
|
5 |
A |
2913 |
2934 |
1.007 |
208 |
1554 |
|
|
6 |
A |
2871 |
2866 |
0.998 |
208 |
1555 |
|
|
7 |
A |
1671 |
1654 |
0.990 |
208 |
1556 |
|
|
8 |
A |
1520 |
1453 |
0.956 |
208 |
1557 |
|
|
9 |
A |
1463 |
1414 |
0.967 |
208 |
1558 |
|
|
10 |
A |
1412 |
1384 |
0.980 |
208 |
1559 |
|
|
11 |
A |
1301 |
1320 |
1.015 |
208 |
1560 |
|
|
12 |
A |
1254 |
1293 |
1.031 |
208 |
1561 |
|
|
13 |
A |
1205 |
1191 |
0.989 |
208 |
1562 |
|
|
14 |
A |
1127 |
1132 |
1.004 |
208 |
1563 |
|
|
15 |
A |
1010 |
1110 |
1.099 |
208 |
1564 |
|
|
16 |
A |
991 |
1038 |
1.047 |
208 |
1565 |
|
|
17 |
A |
954 |
995 |
1.043 |
208 |
1566 |
|
|
18 |
A |
924 |
919 |
0.995 |
208 |
1567 |
|
|
19 |
A |
894 |
885 |
0.990 |
208 |
1568 |
|
|
20 |
A |
619 |
606 |
0.979 |
208 |
1569 |
|
|
22 |
A |
301 |
377 |
1.254 |
208 |
1570 |
|
|
23 |
A |
281 |
277 |
0.984 |
208 |
1571 |
|
|
24 |
A |
104 |
188 |
1.805 |
208 |
1572 |
CH3CH2CHO |
Propanal |
1 |
A' |
3080 |
2981 |
0.968 |
209 |
1573 |
|
|
2 |
A' |
3003 |
2904 |
0.967 |
209 |
1574 |
|
|
3 |
A' |
2959 |
2895 |
0.978 |
209 |
1575 |
|
|
4 |
A' |
2792 |
2809 |
1.006 |
209 |
1576 |
|
|
5 |
A' |
1685 |
1743 |
1.035 |
209 |
1577 |
|
|
6 |
A' |
1517 |
1460 |
0.962 |
209 |
1578 |
|
|
7 |
A' |
1452 |
1416 |
0.975 |
209 |
1579 |
|
|
8 |
A' |
1419 |
1390 |
0.979 |
209 |
1580 |
|
|
9 |
A' |
1393 |
1376 |
0.988 |
209 |
1581 |
|
|
10 |
A' |
1314 |
1335 |
1.016 |
209 |
1582 |
|
|
11 |
A' |
1090 |
1093 |
1.003 |
209 |
1583 |
|
|
12 |
A' |
999 |
993 |
0.994 |
209 |
1584 |
|
|
13 |
A' |
836 |
848 |
1.014 |
209 |
1585 |
|
|
14 |
A' |
666 |
668 |
1.003 |
209 |
1586 |
|
|
15 |
A' |
260 |
271 |
1.042 |
209 |
1587 |
|
|
16 |
A" |
3076 |
2992 |
0.973 |
209 |
1588 |
|
|
17 |
A" |
2987 |
2942 |
0.985 |
209 |
1589 |
|
|
18 |
A" |
1517 |
1451 |
0.957 |
209 |
1590 |
|
|
19 |
A" |
1275 |
1250 |
0.981 |
209 |
1591 |
|
|
20 |
A" |
1130 |
1118 |
0.990 |
209 |
1592 |
|
|
21 |
A" |
905 |
892 |
0.985 |
209 |
1593 |
|
|
22 |
A" |
674 |
660 |
0.980 |
209 |
1594 |
|
|
23 |
A" |
235 |
220 |
0.936 |
209 |
1595 |
|
|
24 |
A" |
108 |
135 |
1.254 |
209 |
1596 |
C3H6O |
Oxetane |
1 |
A1 |
3039 |
2959 |
0.974 |
210 |
1597 |
|
|
2 |
A1 |
2987 |
2930 |
0.981 |
210 |
1598 |
|
|
3 |
A1 |
1549 |
1473 |
0.951 |
210 |
1599 |
|
|
4 |
A1 |
1484 |
1461 |
0.985 |
210 |
1600 |
|
|
5 |
A1 |
1321 |
1342 |
1.016 |
210 |
1601 |
|
|
6 |
A1 |
990 |
1134 |
1.146 |
210 |
1602 |
|
|
7 |
A1 |
841 |
1018 |
1.211 |
210 |
1603 |
|
|
8 |
A1 |
773 |
908 |
1.174 |
210 |
1604 |
|
|
9 |
A2 |
3027 |
3000 |
0.991 |
210 |
1605 |
|
|
10 |
A2 |
1236 |
1283 |
1.038 |
210 |
1606 |
|
|
11 |
A2 |
1096 |
1185 |
1.081 |
210 |
1607 |
|
|
12 |
A2 |
856 |
986 |
1.152 |
210 |
1608 |
|
|
13 |
B1 |
3101 |
3007 |
0.970 |
210 |
1609 |
|
|
14 |
B1 |
3027 |
2940 |
0.971 |
210 |
1610 |
|
|
15 |
B1 |
1169 |
1225 |
1.048 |
210 |
1611 |
|
|
16 |
B1 |
1050 |
1142 |
1.087 |
210 |
1612 |
|
|
17 |
B1 |
745 |
836 |
1.122 |
210 |
1613 |
|
|
18 |
B1 |
76 |
90 |
1.174 |
210 |
1614 |
|
|
19 |
B2 |
2975 |
2966 |
0.997 |
210 |
1615 |
|
|
20 |
B2 |
1517 |
1508 |
0.994 |
210 |
1616 |
|
|
21 |
B2 |
1260 |
1458 |
1.157 |
210 |
1617 |
|
|
22 |
B2 |
1236 |
1363 |
1.103 |
210 |
1618 |
|
|
23 |
B2 |
956 |
1228 |
1.285 |
210 |
1619 |
|
|
24 |
B2 |
900 |
936 |
1.040 |
210 |
1620 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3085 |
3018 |
0.978 |
211 |
1621 |
|
|
2 |
A |
3038 |
2985 |
0.983 |
211 |
1622 |
|
|
3 |
A |
2989 |
2958 |
0.990 |
211 |
1623 |
|
|
4 |
A |
2931 |
2945 |
1.005 |
211 |
1624 |
|
|
5 |
A |
2918 |
2922 |
1.002 |
211 |
1625 |
|
|
6 |
A |
2248 |
2245 |
0.999 |
211 |
1626 |
|
|
7 |
A |
1528 |
1472 |
0.963 |
211 |
1627 |
|
|
8 |
A |
1497 |
1452 |
0.970 |
211 |
1628 |
|
|
9 |
A |
1474 |
1439 |
0.976 |
211 |
1629 |
|
|
10 |
A |
1453 |
1431 |
0.985 |
211 |
1630 |
|
|
11 |
A |
1343 |
1368 |
1.018 |
211 |
1631 |
|
|
12 |
A |
1278 |
1287 |
1.007 |
211 |
1632 |
|
|
13 |
A |
1156 |
1199 |
1.037 |
211 |
1633 |
|
|
14 |
A |
1125 |
1161 |
1.032 |
211 |
1634 |
|
|
15 |
A |
1047 |
1127 |
1.076 |
211 |
1635 |
|
|
16 |
A |
998 |
1016 |
1.018 |
211 |
1636 |
|
|
17 |
A |
889 |
925 |
1.040 |
211 |
1637 |
|
|
18 |
A |
858 |
890 |
1.037 |
211 |
1638 |
|
|
19 |
A |
606 |
586 |
0.967 |
211 |
1639 |
|
|
20 |
A |
433 |
404 |
0.933 |
211 |
1640 |
|
|
21 |
A |
377 |
347 |
0.921 |
211 |
1641 |
|
|
22 |
A |
261 |
243 |
0.933 |
211 |
1642 |
|
|
23 |
A |
189 |
170 |
0.901 |
211 |
1643 |
|
|
24 |
A |
124 |
113 |
0.911 |
211 |
1644 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3091 |
2990 |
0.967 |
212 |
1645 |
|
|
2 |
A |
3072 |
2983 |
0.971 |
212 |
1646 |
|
|
3 |
A |
2987 |
2913 |
0.975 |
212 |
1647 |
|
|
4 |
A |
1491 |
1426 |
0.956 |
212 |
1648 |
|
|
5 |
A |
1485 |
1419 |
0.956 |
212 |
1649 |
|
|
6 |
A |
1361 |
1311 |
0.964 |
212 |
1650 |
|
|
7 |
A |
978 |
955 |
0.977 |
212 |
1651 |
|
|
8 |
A |
973 |
949 |
0.975 |
212 |
1652 |
|
|
9 |
A |
655 |
694 |
1.060 |
212 |
1653 |
|
|
10 |
A |
483 |
509 |
1.054 |
212 |
1654 |
|
|
11 |
A |
226 |
240 |
1.061 |
212 |
1655 |
|
|
12 |
A |
141 |
134 |
0.948 |
212 |
1656 |
|
|
13 |
A |
106 |
117 |
1.104 |
212 |
1657 |
|
|
14 |
B |
3091 |
2990 |
0.967 |
212 |
1658 |
|
|
15 |
B |
3072 |
2983 |
0.971 |
212 |
1659 |
|
|
16 |
B |
2985 |
2915 |
0.976 |
212 |
1660 |
|
|
17 |
B |
1496 |
1430 |
0.956 |
212 |
1661 |
|
|
18 |
B |
1478 |
1415 |
0.957 |
212 |
1662 |
|
|
19 |
B |
1354 |
1303 |
0.962 |
212 |
1663 |
|
|
20 |
B |
982 |
955 |
0.973 |
212 |
1664 |
|
|
21 |
B |
968 |
949 |
0.981 |
212 |
1665 |
|
|
22 |
B |
655 |
691 |
1.055 |
212 |
1666 |
|
|
23 |
B |
258 |
274 |
1.061 |
212 |
1667 |
|
|
24 |
B |
154 |
134 |
0.869 |
212 |
1668 |
C3H8 |
Propane |
1 |
A1 |
3052 |
2977 |
0.975 |
213 |
1669 |
|
|
2 |
A1 |
2977 |
2962 |
0.995 |
213 |
1670 |
|
|
3 |
A1 |
2975 |
2887 |
0.971 |
213 |
1671 |
|
|
4 |
A1 |
1530 |
1476 |
0.965 |
213 |
1672 |
|
|
5 |
A1 |
1505 |
1462 |
0.971 |
213 |
1673 |
|
|
6 |
A1 |
1419 |
1392 |
0.981 |
213 |
1674 |
|
|
7 |
A1 |
1169 |
1158 |
0.990 |
213 |
1675 |
|
|
8 |
A1 |
858 |
869 |
1.013 |
213 |
1676 |
|
|
9 |
A1 |
367 |
369 |
1.005 |
213 |
1677 |
|
|
10 |
A2 |
3041 |
2967 |
0.976 |
213 |
1678 |
|
|
11 |
A2 |
1510 |
1451 |
0.961 |
213 |
1679 |
|
|
12 |
A2 |
1318 |
1278 |
0.970 |
213 |
1680 |
|
|
13 |
A2 |
924 |
940 |
1.017 |
213 |
1681 |
|
|
14 |
A2 |
226 |
216 |
0.955 |
213 |
1682 |
|
|
15 |
B1 |
3055 |
2973 |
0.973 |
213 |
1683 |
|
|
16 |
B1 |
3005 |
2968 |
0.988 |
213 |
1684 |
|
|
17 |
B1 |
1529 |
1472 |
0.963 |
213 |
1685 |
|
|
18 |
B1 |
1206 |
1192 |
0.988 |
213 |
1686 |
|
|
19 |
B1 |
752 |
748 |
0.995 |
213 |
1687 |
|
|
20 |
B1 |
271 |
268 |
0.989 |
213 |
1688 |
|
|
21 |
B2 |
3048 |
2968 |
0.974 |
213 |
1689 |
|
|
22 |
B2 |
2973 |
2887 |
0.971 |
213 |
1690 |
|
|
23 |
B2 |
1516 |
1464 |
0.966 |
213 |
1691 |
|
|
24 |
B2 |
1401 |
1378 |
0.983 |
213 |
1692 |
|
|
25 |
B2 |
1346 |
1338 |
0.994 |
213 |
1693 |
|
|
26 |
B2 |
1038 |
1054 |
1.016 |
213 |
1694 |
|
|
27 |
B2 |
933 |
922 |
0.988 |
213 |
1695 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3195 |
3091 |
0.967 |
214 |
1696 |
|
|
2 |
A1 |
3165 |
3075 |
0.972 |
214 |
1697 |
|
|
3 |
A1 |
2977 |
2886 |
0.969 |
214 |
1698 |
|
|
4 |
A1 |
1498 |
1500 |
1.002 |
214 |
1699 |
|
|
5 |
A1 |
1411 |
1378 |
0.976 |
214 |
1700 |
|
|
6 |
A1 |
1360 |
1365 |
1.003 |
214 |
1701 |
|
|
7 |
A1 |
1123 |
1106 |
0.985 |
214 |
1702 |
|
|
8 |
A1 |
987 |
994 |
1.007 |
214 |
1703 |
|
|
9 |
A1 |
894 |
915 |
1.023 |
214 |
1704 |
|
|
10 |
A1 |
820 |
802 |
0.979 |
214 |
1705 |
|
|
11 |
A2 |
1134 |
1100 |
0.970 |
214 |
1706 |
|
|
12 |
A2 |
927 |
941 |
1.015 |
214 |
1707 |
|
|
13 |
A2 |
694 |
700 |
1.009 |
214 |
1708 |
|
|
14 |
A2 |
517 |
516 |
0.998 |
214 |
1709 |
|
|
15 |
B1 |
3011 |
2900 |
0.963 |
214 |
1710 |
|
|
16 |
B1 |
922 |
925 |
1.003 |
214 |
1711 |
|
|
17 |
B1 |
888 |
891 |
1.004 |
214 |
1712 |
|
|
18 |
B1 |
665 |
664 |
0.998 |
214 |
1713 |
|
|
19 |
B1 |
339 |
350 |
1.033 |
214 |
1714 |
|
|
20 |
B2 |
3183 |
3105 |
0.975 |
214 |
1715 |
|
|
21 |
B2 |
3155 |
3043 |
0.964 |
214 |
1716 |
|
|
22 |
B2 |
1581 |
1580 |
0.999 |
214 |
1717 |
|
|
23 |
B2 |
1297 |
1292 |
0.996 |
214 |
1718 |
|
|
24 |
B2 |
1219 |
1239 |
1.016 |
214 |
1719 |
|
|
25 |
B2 |
1106 |
1090 |
0.985 |
214 |
1720 |
|
|
26 |
B2 |
957 |
959 |
1.002 |
214 |
1721 |
|
|
27 |
B2 |
818 |
805 |
0.984 |
214 |
1722 |
C5H5N |
Pyridine |
1 |
A1 |
3153 |
3094 |
0.981 |
215 |
1723 |
|
|
2 |
A1 |
3127 |
3073 |
0.983 |
215 |
1724 |
|
|
3 |
A1 |
3107 |
3030 |
0.975 |
215 |
1725 |
|
|
4 |
A1 |
1551 |
1584 |
1.021 |
215 |
1726 |
|
|
5 |
A1 |
1470 |
1483 |
1.009 |
215 |
1727 |
|
|
6 |
A1 |
1227 |
1218 |
0.993 |
215 |
1728 |
|
|
7 |
A1 |
1084 |
1072 |
0.989 |
215 |
1729 |
|
|
8 |
A1 |
1035 |
1032 |
0.997 |
215 |
1730 |
|
|
9 |
A1 |
963 |
991 |
1.029 |
215 |
1731 |
|
|
10 |
A1 |
615 |
601 |
0.978 |
215 |
1732 |
|
|
11 |
A2 |
995 |
980 |
0.985 |
215 |
1733 |
|
|
12 |
A2 |
890 |
880 |
0.989 |
215 |
1734 |
|
|
13 |
A2 |
365 |
373 |
1.021 |
215 |
1735 |
|
|
14 |
B1 |
1014 |
1007 |
0.993 |
215 |
1736 |
|
|
15 |
B1 |
946 |
937 |
0.990 |
215 |
1737 |
|
|
16 |
B1 |
764 |
744 |
0.974 |
215 |
1738 |
|
|
17 |
B1 |
712 |
700 |
0.984 |
215 |
1739 |
|
|
18 |
B1 |
413 |
403 |
0.977 |
215 |
1740 |
|
|
19 |
B2 |
3142 |
3087 |
0.983 |
215 |
1741 |
|
|
20 |
B2 |
3103 |
3042 |
0.981 |
215 |
1742 |
|
|
21 |
B2 |
1550 |
1581 |
1.020 |
215 |
1743 |
|
|
22 |
B2 |
1438 |
1442 |
1.003 |
215 |
1744 |
|
|
23 |
B2 |
1377 |
1362 |
0.989 |
215 |
1745 |
|
|
24 |
B2 |
1240 |
1227 |
0.989 |
215 |
1746 |
|
|
25 |
B2 |
1186 |
1143 |
0.964 |
215 |
1747 |
|
|
26 |
B2 |
1050 |
1079 |
1.027 |
215 |
1748 |
|
|
27 |
B2 |
668 |
652 |
0.976 |
215 |
1749 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3121 |
3058 |
0.980 |
216 |
1750 |
|
|
2 |
A' |
3075 |
2995 |
0.974 |
216 |
1751 |
|
|
3 |
A' |
3047 |
2963 |
0.973 |
216 |
1752 |
|
|
4 |
A' |
2968 |
2938 |
0.990 |
216 |
1753 |
|
|
5 |
A' |
2755 |
2805 |
1.018 |
216 |
1754 |
|
|
6 |
A' |
1656 |
1720 |
1.039 |
216 |
1755 |
|
|
7 |
A' |
1652 |
1649 |
0.998 |
216 |
1756 |
|
|
8 |
A' |
1498 |
1455 |
0.971 |
216 |
1757 |
|
|
9 |
A' |
1411 |
1391 |
0.986 |
216 |
1758 |
|
|
10 |
A' |
1398 |
1375 |
0.983 |
216 |
1759 |
|
|
11 |
A' |
1318 |
1304 |
0.989 |
216 |
1760 |
|
|
12 |
A' |
1267 |
1253 |
0.989 |
216 |
1761 |
|
|
13 |
A' |
1132 |
1147 |
1.013 |
216 |
1762 |
|
|
14 |
A' |
1062 |
1074 |
1.012 |
216 |
1763 |
|
|
15 |
A' |
942 |
973 |
1.033 |
216 |
1764 |
|
|
16 |
A' |
521 |
539 |
1.034 |
216 |
1765 |
|
|
17 |
A' |
456 |
464 |
1.018 |
216 |
1766 |
|
|
18 |
A' |
203 |
230 |
1.132 |
216 |
1767 |
|
|
19 |
A" |
3016 |
2980 |
0.988 |
216 |
1768 |
|
|
20 |
A" |
1496 |
1455 |
0.972 |
216 |
1769 |
|
|
21 |
A" |
1063 |
1042 |
0.980 |
216 |
1770 |
|
|
22 |
A" |
1023 |
973 |
0.951 |
216 |
1771 |
|
|
23 |
A" |
987 |
928 |
0.940 |
216 |
1772 |
|
|
24 |
A" |
789 |
780 |
0.988 |
216 |
1773 |
|
|
25 |
A" |
299 |
295 |
0.987 |
216 |
1774 |
|
|
26 |
A" |
195 |
173 |
0.889 |
216 |
1775 |
|
|
27 |
A" |
133 |
122 |
0.919 |
216 |
1776 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3087 |
3005 |
0.973 |
217 |
1777 |
|
|
2 |
A' |
3064 |
2955 |
0.964 |
217 |
1778 |
|
|
3 |
A' |
3036 |
2927 |
0.964 |
217 |
1779 |
|
|
4 |
A' |
2987 |
2878 |
0.964 |
217 |
1780 |
|
|
5 |
A' |
1524 |
1472 |
0.966 |
217 |
1781 |
|
|
6 |
A' |
1510 |
1454 |
0.963 |
217 |
1782 |
|
|
7 |
A' |
1419 |
1390 |
0.979 |
217 |
1783 |
|
|
8 |
A' |
1268 |
1270 |
1.002 |
217 |
1784 |
|
|
9 |
A' |
1177 |
1163 |
0.988 |
217 |
1785 |
|
|
10 |
A' |
1078 |
1065 |
0.988 |
217 |
1786 |
|
|
11 |
A' |
868 |
888 |
1.023 |
217 |
1787 |
|
|
12 |
A' |
588 |
633 |
1.077 |
217 |
1788 |
|
|
13 |
A' |
414 |
418 |
1.010 |
217 |
1789 |
|
|
14 |
A' |
334 |
336 |
1.007 |
217 |
1790 |
|
|
15 |
A' |
270 |
253 |
0.937 |
217 |
1791 |
|
|
16 |
A" |
3081 |
2997 |
0.973 |
217 |
1792 |
|
|
17 |
A" |
3057 |
2985 |
0.976 |
217 |
1793 |
|
|
18 |
A" |
2982 |
2947 |
0.988 |
217 |
1794 |
|
|
19 |
A" |
1502 |
1472 |
0.980 |
217 |
1795 |
|
|
20 |
A" |
1495 |
1454 |
0.972 |
217 |
1796 |
|
|
21 |
A" |
1403 |
1377 |
0.981 |
217 |
1797 |
|
|
22 |
A" |
1341 |
1334 |
0.995 |
217 |
1798 |
|
|
23 |
A" |
1123 |
1123 |
1.000 |
217 |
1799 |
|
|
24 |
A" |
959 |
972 |
1.014 |
217 |
1800 |
|
|
25 |
A" |
943 |
936 |
0.993 |
217 |
1801 |
|
|
26 |
A" |
318 |
317 |
0.996 |
217 |
1802 |
|
|
27 |
A" |
246 |
276 |
1.121 |
217 |
1803 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3116 |
3022 |
0.970 |
218 |
1804 |
|
|
2 |
A |
3090 |
3004 |
0.972 |
218 |
1805 |
|
|
3 |
A |
3076 |
2991 |
0.972 |
218 |
1806 |
|
|
4 |
A |
3057 |
2970 |
0.972 |
218 |
1807 |
|
|
5 |
A |
3043 |
2949 |
0.969 |
218 |
1808 |
|
|
6 |
A |
2997 |
2908 |
0.970 |
218 |
1809 |
|
|
7 |
A |
1512 |
1462 |
0.967 |
218 |
1810 |
|
|
8 |
A |
1505 |
1459 |
0.969 |
218 |
1811 |
|
|
9 |
A |
1479 |
1446 |
0.978 |
218 |
1812 |
|
|
10 |
A |
1411 |
1391 |
0.986 |
218 |
1813 |
|
|
11 |
A |
1356 |
1347 |
0.993 |
218 |
1814 |
|
|
12 |
A |
1290 |
1286 |
0.997 |
218 |
1815 |
|
|
13 |
A |
1250 |
1238 |
0.990 |
218 |
1816 |
|
|
14 |
A |
1203 |
1181 |
0.982 |
218 |
1817 |
|
|
15 |
A |
1121 |
1120 |
0.999 |
218 |
1818 |
|
|
16 |
A |
1070 |
1076 |
1.006 |
218 |
1819 |
|
|
17 |
A |
1022 |
1023 |
1.001 |
218 |
1820 |
|
|
18 |
A |
907 |
890 |
0.981 |
218 |
1821 |
|
|
19 |
A |
851 |
850 |
0.999 |
218 |
1822 |
|
|
20 |
A |
697 |
750 |
1.076 |
218 |
1823 |
|
|
21 |
A |
639 |
685 |
1.072 |
218 |
1824 |
|
|
22 |
A |
406 |
417 |
1.027 |
218 |
1825 |
|
|
23 |
A |
344 |
358 |
1.040 |
218 |
1826 |
|
|
24 |
A |
275 |
285 |
1.035 |
218 |
1827 |
|
|
25 |
A |
257 |
250 |
0.974 |
218 |
1828 |
|
|
26 |
A |
204 |
203 |
0.994 |
218 |
1829 |
|
|
27 |
A |
114 |
108 |
0.945 |
218 |
1830 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3079 |
2989 |
0.971 |
219 |
1831 |
|
|
2 |
A1 |
3064 |
2941 |
0.960 |
219 |
1832 |
|
|
3 |
A1 |
2967 |
2911 |
0.981 |
219 |
1833 |
|
|
4 |
A1 |
1686 |
1661 |
0.985 |
219 |
1834 |
|
|
5 |
A1 |
1516 |
1470 |
0.970 |
219 |
1835 |
|
|
6 |
A1 |
1445 |
1416 |
0.980 |
219 |
1836 |
|
|
7 |
A1 |
1414 |
1366 |
0.966 |
219 |
1837 |
|
|
8 |
A1 |
1083 |
1064 |
0.983 |
219 |
1838 |
|
|
9 |
A1 |
792 |
801 |
1.012 |
219 |
1839 |
|
|
10 |
A1 |
367 |
383 |
1.044 |
219 |
1840 |
|
|
11 |
A2 |
3014 |
2970 |
0.986 |
219 |
1841 |
|
|
12 |
A2 |
1491 |
1459 |
0.979 |
219 |
1842 |
|
|
13 |
A2 |
1025 |
1076 |
1.050 |
219 |
1843 |
|
|
14 |
A2 |
693 |
|
|
219 |
1844 |
|
|
15 |
A2 |
179 |
193 |
1.079 |
219 |
1845 |
|
|
16 |
B1 |
3017 |
2945 |
0.976 |
219 |
1846 |
|
|
17 |
B1 |
1511 |
1444 |
0.955 |
219 |
1847 |
|
|
18 |
B1 |
1104 |
1079 |
0.978 |
219 |
1848 |
|
|
19 |
B1 |
892 |
890 |
0.998 |
219 |
1849 |
|
|
20 |
B1 |
414 |
429 |
1.037 |
219 |
1850 |
|
|
21 |
B1 |
210 |
196 |
0.933 |
219 |
1851 |
|
|
22 |
B2 |
3160 |
3086 |
0.976 |
219 |
1852 |
|
|
23 |
B2 |
3061 |
2980 |
0.973 |
219 |
1853 |
|
|
24 |
B2 |
2961 |
2893 |
0.977 |
219 |
1854 |
|
|
25 |
B2 |
1501 |
1458 |
0.971 |
219 |
1855 |
|
|
26 |
B2 |
1401 |
1381 |
0.986 |
219 |
1856 |
|
|
27 |
B2 |
1273 |
1282 |
1.007 |
219 |
1857 |
|
|
28 |
B2 |
982 |
1043 |
1.062 |
219 |
1858 |
|
|
29 |
B2 |
951 |
974 |
1.024 |
219 |
1859 |
|
|
30 |
B2 |
429 |
430 |
1.002 |
219 |
1860 |
C6H6 |
Benzene |
1 |
A1g |
3151 |
3062 |
0.972 |
220 |
1861 |
|
|
2 |
A1g |
993 |
992 |
0.999 |
220 |
1862 |
|
|
3 |
A2g |
1385 |
1326 |
0.957 |
220 |
1863 |
|
|
4 |
A2u |
670 |
673 |
1.005 |
220 |
1864 |
|
|
5 |
B1u |
3112 |
3068 |
0.986 |
220 |
1865 |
|
|
6 |
B1u |
1028 |
1010 |
0.982 |
220 |
1866 |
|
|
7 |
B2g |
998 |
995 |
0.997 |
220 |
1867 |
|
|
8 |
B2g |
729 |
703 |
0.965 |
220 |
1868 |
|
|
9 |
B2u |
1318 |
1310 |
0.994 |
220 |
1869 |
|
|
10 |
B2u |
1194 |
1150 |
0.963 |
220 |
1870 |
|
|
11 |
E1g |
841 |
849 |
1.010 |
220 |
1871 |
|
|
12 |
E1u |
3138 |
3063 |
0.976 |
220 |
1872 |
|
|
13 |
E1u |
1490 |
1486 |
0.997 |
220 |
1873 |
|
|
14 |
E1u |
1043 |
1038 |
0.995 |
220 |
1874 |
|
|
15 |
E2g |
3121 |
3047 |
0.976 |
220 |
1875 |
|
|
16 |
E2g |
1582 |
1596 |
1.009 |
220 |
1876 |
|
|
17 |
E2g |
1203 |
1178 |
0.979 |
220 |
1877 |
|
|
18 |
E2g |
625 |
606 |
0.970 |
220 |
1878 |
|
|
19 |
E2u |
960 |
975 |
1.016 |
220 |
1879 |
|
|
20 |
E2u |
404 |
410 |
1.015 |
220 |
1880 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3172 |
3088 |
0.974 |
221 |
1881 |
|
|
2 |
A |
3101 |
3017 |
0.973 |
221 |
1882 |
|
|
3 |
A |
3085 |
3011 |
0.976 |
221 |
1883 |
|
|
4 |
A |
3083 |
2990 |
0.970 |
221 |
1884 |
|
|
5 |
A |
3067 |
2974 |
0.970 |
221 |
1885 |
|
|
6 |
A |
3043 |
2967 |
0.975 |
221 |
1886 |
|
|
7 |
A |
2990 |
2927 |
0.979 |
221 |
1887 |
|
|
8 |
A |
1659 |
1645 |
0.992 |
221 |
1888 |
|
|
9 |
A |
1509 |
1452 |
0.962 |
221 |
1889 |
|
|
10 |
A |
1503 |
1447 |
0.963 |
221 |
1890 |
|
|
11 |
A |
1459 |
1424 |
0.976 |
221 |
1891 |
|
|
12 |
A |
1408 |
1375 |
0.976 |
221 |
1892 |
|
|
13 |
A |
1317 |
1297 |
0.984 |
221 |
1893 |
|
|
14 |
A |
1312 |
1283 |
0.978 |
221 |
1894 |
|
|
15 |
A |
1236 |
1233 |
0.998 |
221 |
1895 |
|
|
16 |
A |
1176 |
1174 |
0.998 |
221 |
1896 |
|
|
17 |
A |
1084 |
1090 |
1.005 |
221 |
1897 |
|
|
18 |
A |
1034 |
1025 |
0.991 |
221 |
1898 |
|
|
19 |
A |
1001 |
988 |
0.987 |
221 |
1899 |
|
|
20 |
A |
982 |
966 |
0.984 |
221 |
1900 |
|
|
21 |
A |
933 |
931 |
0.998 |
221 |
1901 |
|
|
22 |
A |
853 |
864 |
1.012 |
221 |
1902 |
|
|
23 |
A |
698 |
708 |
1.015 |
221 |
1903 |
|
|
24 |
A |
608 |
625 |
1.027 |
221 |
1904 |
|
|
25 |
A |
445 |
456 |
1.025 |
221 |
1905 |
|
|
26 |
A |
320 |
319 |
0.998 |
221 |
1906 |
|
|
27 |
A |
298 |
305 |
1.025 |
221 |
1907 |
|
|
28 |
A |
282 |
283 |
1.005 |
221 |
1908 |
|
|
29 |
A |
253 |
245 |
0.967 |
221 |
1909 |
|
|
30 |
A |
98 |
92 |
0.943 |
221 |
1910 |
C5H8 |
Cyclopentene |
1 |
A' |
3158 |
3066 |
0.971 |
222 |
1911 |
|
|
2 |
A' |
3070 |
2958 |
0.963 |
222 |
1912 |
|
|
3 |
A' |
3026 |
2916 |
0.964 |
222 |
1913 |
|
|
4 |
A' |
3006 |
2902 |
0.965 |
222 |
1914 |
|
|
5 |
A' |
2964 |
2852 |
0.962 |
222 |
1915 |
|
|
6 |
A' |
1631 |
1616 |
0.991 |
222 |
1916 |
|
|
7 |
A' |
1505 |
1467 |
0.975 |
222 |
1917 |
|
|
8 |
A' |
1483 |
1449 |
0.977 |
222 |
1918 |
|
|
9 |
A' |
1287 |
1302 |
1.012 |
222 |
1919 |
|
|
10 |
A' |
1230 |
1284 |
1.044 |
222 |
1920 |
|
|
11 |
A' |
1126 |
1213 |
1.078 |
222 |
1921 |
|
|
12 |
A' |
1043 |
1048 |
1.005 |
222 |
1922 |
|
|
13 |
A' |
951 |
964 |
1.013 |
222 |
1923 |
|
|
14 |
A' |
883 |
962 |
1.089 |
222 |
1924 |
|
|
15 |
A' |
807 |
904 |
1.121 |
222 |
1925 |
|
|
16 |
A' |
701 |
692 |
0.986 |
222 |
1926 |
|
|
17 |
A' |
602 |
603 |
1.002 |
222 |
1927 |
|
|
18 |
A' |
127 |
254 |
2.007 |
222 |
1928 |
|
|
19 |
A" |
3129 |
3039 |
0.971 |
222 |
1929 |
|
|
20 |
A" |
3018 |
2967 |
0.983 |
222 |
1930 |
|
|
21 |
A" |
2964 |
2927 |
0.987 |
222 |
1931 |
|
|
22 |
A" |
1489 |
1467 |
0.985 |
222 |
1932 |
|
|
23 |
A" |
1350 |
1432 |
1.061 |
222 |
1933 |
|
|
24 |
A" |
1311 |
1356 |
1.034 |
222 |
1934 |
|
|
25 |
A" |
1295 |
1302 |
1.006 |
222 |
1935 |
|
|
26 |
A" |
1197 |
1297 |
1.084 |
222 |
1936 |
|
|
27 |
A" |
1162 |
1207 |
1.039 |
222 |
1937 |
|
|
28 |
A" |
1018 |
1113 |
1.093 |
222 |
1938 |
|
|
29 |
A" |
943 |
1082 |
1.147 |
222 |
1939 |
|
|
30 |
A" |
896 |
937 |
1.045 |
222 |
1940 |
|
|
31 |
A" |
872 |
800 |
0.917 |
222 |
1941 |
|
|
32 |
A" |
776 |
702 |
0.905 |
222 |
1942 |
|
|
33 |
A" |
376 |
387 |
1.028 |
222 |
1943 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3163 |
3080 |
0.974 |
223 |
1944 |
|
|
2 |
A |
3088 |
3012 |
0.976 |
223 |
1945 |
|
|
3 |
A |
3076 |
3012 |
0.979 |
223 |
1946 |
|
|
4 |
A |
2965 |
2900 |
0.978 |
223 |
1947 |
|
|
5 |
A |
1671 |
1644 |
0.984 |
223 |
1948 |
|
|
6 |
A |
1477 |
1433 |
0.970 |
223 |
1949 |
|
|
7 |
A |
1455 |
1413 |
0.971 |
223 |
1950 |
|
|
8 |
A |
1313 |
1295 |
0.986 |
223 |
1951 |
|
|
9 |
A |
1263 |
1263 |
1.000 |
223 |
1952 |
|
|
10 |
A |
1078 |
1120 |
1.039 |
223 |
1953 |
|
|
11 |
A |
1007 |
995 |
0.988 |
223 |
1954 |
|
|
12 |
A |
923 |
918 |
0.995 |
223 |
1955 |
|
|
13 |
A |
900 |
876 |
0.974 |
223 |
1956 |
|
|
14 |
A |
668 |
562 |
0.841 |
223 |
1957 |
|
|
15 |
A |
369 |
421 |
1.140 |
223 |
1958 |
|
|
16 |
A |
305 |
137 |
0.450 |
223 |
1959 |
|
|
17 |
A |
80 |
102 |
1.275 |
223 |
1960 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3079 |
2987 |
0.970 |
224 |
1961 |
|
|
2 |
A1 |
3051 |
2941 |
0.964 |
224 |
1962 |
|
|
3 |
A1 |
2968 |
2916 |
0.982 |
224 |
1963 |
|
|
4 |
A1 |
2025 |
1996 |
0.985 |
224 |
1964 |
|
|
5 |
A1 |
1523 |
1470 |
0.965 |
224 |
1965 |
|
|
6 |
A1 |
1474 |
1438 |
0.975 |
224 |
1966 |
|
|
7 |
A1 |
1409 |
1369 |
0.971 |
224 |
1967 |
|
|
8 |
A1 |
1305 |
1286 |
0.986 |
224 |
1968 |
|
|
9 |
A1 |
1019 |
973 |
0.955 |
224 |
1969 |
|
|
10 |
A1 |
715 |
726 |
1.016 |
224 |
1970 |
|
|
11 |
A1 |
329 |
349 |
1.060 |
224 |
1971 |
|
|
12 |
A2 |
3018 |
2941 |
0.975 |
224 |
1972 |
|
|
13 |
A2 |
1494 |
1470 |
0.984 |
224 |
1973 |
|
|
14 |
A2 |
1008 |
985 |
0.978 |
224 |
1974 |
|
|
15 |
A2 |
610 |
617 |
1.011 |
224 |
1975 |
|
|
17 |
B1 |
3117 |
3051 |
0.979 |
224 |
1976 |
|
|
18 |
B1 |
3020 |
2941 |
0.974 |
224 |
1977 |
|
|
19 |
B1 |
1513 |
1470 |
0.972 |
224 |
1978 |
|
|
20 |
B1 |
1095 |
1068 |
0.975 |
224 |
1979 |
|
|
21 |
B1 |
1028 |
1004 |
0.976 |
224 |
1980 |
|
|
22 |
B1 |
416 |
443 |
1.064 |
224 |
1981 |
|
|
23 |
B1 |
247 |
187 |
0.756 |
224 |
1982 |
|
|
25 |
B2 |
3078 |
2941 |
0.955 |
224 |
1983 |
|
|
26 |
B2 |
2964 |
2916 |
0.984 |
224 |
1984 |
|
|
27 |
B2 |
1498 |
1470 |
0.982 |
224 |
1985 |
|
|
28 |
B2 |
1394 |
1369 |
0.982 |
224 |
1986 |
|
|
29 |
B2 |
1166 |
1191 |
1.021 |
224 |
1987 |
|
|
30 |
B2 |
961 |
968 |
1.007 |
224 |
1988 |
|
|
31 |
B2 |
862 |
848 |
0.983 |
224 |
1989 |
|
|
32 |
B2 |
587 |
554 |
0.944 |
224 |
1990 |
|
|
33 |
B2 |
175 |
187 |
1.069 |
224 |
1991 |
C5H8 |
Spiropentane |
1 |
A1 |
3086 |
3000 |
0.972 |
225 |
1992 |
|
|
2 |
A1 |
1478 |
1423 |
0.963 |
225 |
1993 |
|
|
3 |
A1 |
1046 |
1160 |
1.109 |
225 |
1994 |
|
|
4 |
A1 |
999 |
1037 |
1.038 |
225 |
1995 |
|
|
5 |
A1 |
567 |
588 |
1.037 |
225 |
1996 |
|
|
6 |
A2 |
3166 |
3070 |
0.970 |
225 |
1997 |
|
|
7 |
A2 |
1143 |
1174 |
1.027 |
225 |
1998 |
|
|
8 |
A2 |
824 |
919 |
1.116 |
225 |
1999 |
|
|
9 |
B1 |
3165 |
3066 |
0.969 |
225 |
2000 |
|
|
10 |
B1 |
1154 |
1166 |
1.010 |
225 |
2001 |
|
|
11 |
B1 |
1005 |
888 |
0.883 |
225 |
2002 |
|
|
12 |
B1 |
287 |
300 |
1.044 |
225 |
2003 |
|
|
13 |
B2 |
3086 |
3000 |
0.972 |
225 |
2004 |
|
|
14 |
B2 |
1497 |
1521 |
1.016 |
225 |
2005 |
|
|
15 |
B2 |
1421 |
1415 |
0.996 |
225 |
2006 |
|
|
16 |
B2 |
997 |
990 |
0.993 |
225 |
2007 |
|
|
17 |
B2 |
836 |
872 |
1.043 |
225 |
2008 |
|
|
18 |
E |
3181 |
3067 |
0.964 |
225 |
2009 |
|
|
19 |
E |
3082 |
2985 |
0.969 |
225 |
2010 |
|
|
20 |
E |
1457 |
1431 |
0.982 |
225 |
2011 |
|
|
21 |
E |
1163 |
1150 |
0.989 |
225 |
2012 |
|
|
22 |
E |
1057 |
1049 |
0.992 |
225 |
2013 |
|
|
23 |
E |
855 |
870 |
1.017 |
225 |
2014 |
|
|
24 |
E |
777 |
780 |
1.004 |
225 |
2015 |
|
|
25 |
E |
269 |
308 |
1.144 |
225 |
2016 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3002 |
2953 |
0.984 |
226 |
2017 |
|
|
2 |
A1 |
2852 |
2775 |
0.973 |
226 |
2018 |
|
|
3 |
A1 |
1518 |
1459 |
0.961 |
226 |
2019 |
|
|
4 |
A1 |
1466 |
1444 |
0.985 |
226 |
2020 |
|
|
5 |
A1 |
1172 |
1186 |
1.012 |
226 |
2021 |
|
|
6 |
A1 |
779 |
828 |
1.063 |
226 |
2022 |
|
|
7 |
A1 |
324 |
367 |
1.132 |
226 |
2023 |
|
|
8 |
A2 |
3046 |
2977 |
0.977 |
226 |
2024 |
|
|
9 |
A2 |
1510 |
1453 |
0.962 |
226 |
2025 |
|
|
10 |
A2 |
1043 |
1046 |
1.003 |
226 |
2026 |
|
|
11 |
A2 |
289 |
255 |
0.883 |
226 |
2027 |
|
|
12 |
E |
3051 |
2981 |
0.977 |
226 |
2028 |
|
|
13 |
E |
2998 |
2953 |
0.985 |
226 |
2029 |
|
|
14 |
E |
2833 |
2776 |
0.980 |
226 |
2030 |
|
|
15 |
E |
1531 |
1471 |
0.961 |
226 |
2031 |
|
|
16 |
E |
1495 |
1444 |
0.966 |
226 |
2032 |
|
|
17 |
E |
1428 |
1409 |
0.987 |
226 |
2033 |
|
|
18 |
E |
1256 |
1275 |
1.015 |
226 |
2034 |
|
|
19 |
E |
1104 |
1103 |
1.000 |
226 |
2035 |
|
|
20 |
E |
1022 |
1043 |
1.021 |
226 |
2036 |
|
|
21 |
E |
407 |
424 |
1.040 |
226 |
2037 |
|
|
22 |
E |
275 |
281 |
1.021 |
226 |
2038 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3063 |
2974 |
0.971 |
227 |
2039 |
|
|
2 |
A' |
3057 |
2953 |
0.966 |
227 |
2040 |
|
|
3 |
A' |
3027 |
2940 |
0.971 |
227 |
2041 |
|
|
4 |
A' |
2977 |
2876 |
0.966 |
227 |
2042 |
|
|
5 |
A' |
2733 |
2757 |
1.009 |
227 |
2043 |
|
|
6 |
A' |
1696 |
1752 |
1.033 |
227 |
2044 |
|
|
7 |
A' |
1527 |
1474 |
0.965 |
227 |
2045 |
|
|
8 |
A' |
1520 |
1449 |
0.953 |
227 |
2046 |
|
|
9 |
A' |
1418 |
1399 |
0.986 |
227 |
2047 |
|
|
10 |
A' |
1394 |
1381 |
0.990 |
227 |
2048 |
|
|
11 |
A' |
1285 |
1329 |
1.034 |
227 |
2049 |
|
|
12 |
A' |
1170 |
1182 |
1.010 |
227 |
2050 |
|
|
13 |
A' |
1151 |
1138 |
0.989 |
227 |
2051 |
|
|
14 |
A' |
891 |
922 |
1.035 |
227 |
2052 |
|
|
15 |
A' |
832 |
800 |
0.962 |
227 |
2053 |
|
|
16 |
A' |
526 |
632 |
1.202 |
227 |
2054 |
|
|
17 |
A' |
340 |
395 |
1.160 |
227 |
2055 |
|
|
18 |
A' |
332 |
272 |
0.819 |
227 |
2056 |
|
|
19 |
A' |
239 |
212 |
0.886 |
227 |
2057 |
|
|
20 |
A" |
3061 |
2990 |
0.977 |
227 |
2058 |
|
|
21 |
A" |
3047 |
2982 |
0.979 |
227 |
2059 |
|
|
22 |
A" |
2975 |
2885 |
0.970 |
227 |
2060 |
|
|
23 |
A" |
1507 |
1467 |
0.974 |
227 |
2061 |
|
|
24 |
A" |
1503 |
1452 |
0.966 |
227 |
2062 |
|
|
25 |
A" |
1398 |
1437 |
1.028 |
227 |
2063 |
|
|
26 |
A" |
1324 |
1290 |
0.974 |
227 |
2064 |
|
|
27 |
A" |
1109 |
1109 |
1.000 |
227 |
2065 |
|
|
28 |
A" |
976 |
965 |
0.989 |
227 |
2066 |
|
|
29 |
A" |
957 |
942 |
0.984 |
227 |
2067 |
|
|
30 |
A" |
940 |
933 |
0.993 |
227 |
2068 |
|
|
31 |
A" |
338 |
351 |
1.039 |
227 |
2069 |
|
|
32 |
A" |
225 |
227 |
1.009 |
227 |
2070 |
|
|
33 |
A" |
81 |
75 |
0.929 |
227 |
2071 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
422 |
1442 |
3.420 |
228 |
2072 |
|
|
|
Ag |
829 |
1151 |
1.389 |
228 |
2073 |
|
|
|
Au |
1293 |
1257 |
0.972 |
228 |
2074 |
|
|
|
Bg |
1519 |
1300 |
0.856 |
228 |
2075 |
|
|
|
Bu |
2973 |
2870 |
0.965 |
228 |
2076 |
|
|
|
Bu |
2978 |
1461 |
0.491 |
228 |
2077 |
|
|
|
Bu |
3052 |
964 |
0.316 |
228 |
2078 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3274 |
3345 |
1.022 |
229 |
2079 |
|
|
2 |
A' |
3116 |
2975 |
0.955 |
229 |
2080 |
|
|
3 |
A' |
3077 |
2950 |
0.959 |
229 |
2081 |
|
|
4 |
A' |
3039 |
2918 |
0.960 |
229 |
2082 |
|
|
5 |
A' |
3016 |
2905 |
0.963 |
229 |
2083 |
|
|
6 |
A' |
2884 |
2887 |
1.001 |
229 |
2084 |
|
|
7 |
A' |
1661 |
1614 |
0.972 |
229 |
2085 |
|
|
8 |
A' |
1489 |
1467 |
0.985 |
229 |
2086 |
|
|
9 |
A' |
1462 |
1443 |
0.987 |
229 |
2087 |
|
|
10 |
A' |
1336 |
1390 |
1.041 |
229 |
2088 |
|
|
11 |
A' |
1245 |
1291 |
1.037 |
229 |
2089 |
|
|
12 |
A' |
1209 |
1237 |
1.023 |
229 |
2090 |
|
|
13 |
A' |
1108 |
1137 |
1.026 |
229 |
2091 |
|
|
14 |
A' |
1050 |
1120 |
1.066 |
229 |
2092 |
|
|
15 |
A' |
928 |
1050 |
1.132 |
229 |
2093 |
|
|
16 |
A' |
874 |
965 |
1.104 |
229 |
2094 |
|
|
17 |
A' |
839 |
788 |
0.939 |
229 |
2095 |
|
|
18 |
A' |
701 |
752 |
1.072 |
229 |
2096 |
|
|
19 |
A' |
629 |
606 |
0.963 |
229 |
2097 |
|
|
20 |
A' |
387 |
448 |
1.158 |
229 |
2098 |
|
|
21 |
A' |
183 |
174 |
0.952 |
229 |
2099 |
|
|
22 |
A" |
3375 |
3411 |
1.011 |
229 |
2100 |
|
|
23 |
A" |
3079 |
2970 |
0.964 |
229 |
2101 |
|
|
24 |
A" |
3010 |
2957 |
0.982 |
229 |
2102 |
|
|
25 |
A" |
1461 |
1452 |
0.994 |
229 |
2103 |
|
|
26 |
A" |
1310 |
1213 |
0.926 |
229 |
2104 |
|
|
27 |
A" |
1266 |
1185 |
0.936 |
229 |
2105 |
|
|
28 |
A" |
1237 |
1168 |
0.944 |
229 |
2106 |
|
|
29 |
A" |
1192 |
1036 |
0.869 |
229 |
2107 |
|
|
30 |
A" |
1124 |
|
|
229 |
2108 |
|
|
31 |
A" |
1039 |
925 |
0.891 |
229 |
2109 |
|
|
32 |
A" |
898 |
912 |
1.016 |
229 |
2110 |
|
|
33 |
A" |
883 |
883 |
0.999 |
229 |
2111 |
|
|
34 |
A" |
754 |
788 |
1.045 |
229 |
2112 |
|
|
35 |
A" |
382 |
354 |
0.927 |
229 |
2113 |
|
|
36 |
A" |
278 |
240 |
0.862 |
229 |
2114 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3044 |
2968 |
0.975 |
230 |
2115 |
|
|
2 |
Ag |
2932 |
2856 |
0.974 |
230 |
2116 |
|
|
3 |
Ag |
1480 |
1444 |
0.975 |
230 |
2117 |
|
|
4 |
Ag |
1386 |
1397 |
1.008 |
230 |
2118 |
|
|
5 |
Ag |
1281 |
1305 |
1.019 |
230 |
2119 |
|
|
6 |
Ag |
1097 |
1128 |
1.029 |
230 |
2120 |
|
|
7 |
Ag |
973 |
1015 |
1.043 |
230 |
2121 |
|
|
8 |
Ag |
809 |
837 |
1.035 |
230 |
2122 |
|
|
9 |
Ag |
418 |
435 |
1.041 |
230 |
2123 |
|
|
10 |
Ag |
387 |
424 |
1.095 |
230 |
2124 |
|
|
11 |
Au |
3041 |
2970 |
0.977 |
230 |
2125 |
|
|
12 |
Au |
2927 |
2863 |
0.978 |
230 |
2126 |
|
|
13 |
Au |
1466 |
1449 |
0.989 |
230 |
2127 |
|
|
14 |
Au |
1346 |
1369 |
1.017 |
230 |
2128 |
|
|
15 |
Au |
1247 |
1256 |
1.007 |
230 |
2129 |
|
|
16 |
Au |
1058 |
1136 |
1.074 |
230 |
2130 |
|
|
17 |
Au |
1050 |
1086 |
1.035 |
230 |
2131 |
|
|
18 |
Au |
856 |
881 |
1.029 |
230 |
2132 |
|
|
19 |
Au |
224 |
288 |
1.285 |
230 |
2133 |
|
|
20 |
Bg |
3042 |
2968 |
0.976 |
230 |
2134 |
|
|
21 |
Bg |
2938 |
2856 |
0.972 |
230 |
2135 |
|
|
22 |
Bg |
1468 |
1459 |
0.994 |
230 |
2136 |
|
|
23 |
Bg |
1324 |
1335 |
1.008 |
230 |
2137 |
|
|
24 |
Bg |
1198 |
1217 |
1.016 |
230 |
2138 |
|
|
25 |
Bg |
1037 |
1110 |
1.070 |
230 |
2139 |
|
|
26 |
Bg |
840 |
853 |
1.015 |
230 |
2140 |
|
|
27 |
Bg |
447 |
490 |
1.095 |
230 |
2141 |
|
|
28 |
Bu |
3044 |
2970 |
0.976 |
230 |
2142 |
|
|
29 |
Bu |
2942 |
2863 |
0.973 |
230 |
2143 |
|
|
30 |
Bu |
1476 |
1457 |
0.987 |
230 |
2144 |
|
|
31 |
Bu |
1386 |
1378 |
0.994 |
230 |
2145 |
|
|
32 |
Bu |
1274 |
1291 |
1.014 |
230 |
2146 |
|
|
33 |
Bu |
1040 |
1052 |
1.011 |
230 |
2147 |
|
|
34 |
Bu |
815 |
889 |
1.090 |
230 |
2148 |
|
|
35 |
Bu |
563 |
610 |
1.083 |
230 |
2149 |
|
|
36 |
Bu |
261 |
274 |
1.050 |
230 |
2150 |
C8H8 |
cubane |
1 |
A1g |
3121 |
2995 |
0.960 |
231 |
2151 |
|
|
2 |
A1g |
997 |
1002 |
1.005 |
231 |
2152 |
|
|
3 |
A2u |
3076 |
2978 |
0.968 |
231 |
2153 |
|
|
4 |
A2u |
1060 |
839 |
0.791 |
231 |
2154 |
|
|
5 |
Eg |
1087 |
1083 |
0.996 |
231 |
2155 |
|
|
6 |
Eg |
919 |
912 |
0.993 |
231 |
2156 |
|
|
7 |
Eu |
1198 |
1151 |
0.961 |
231 |
2157 |
|
|
8 |
Eu |
631 |
617 |
0.979 |
231 |
2158 |
|
|
9 |
T1g |
1152 |
1130 |
0.981 |
231 |
2159 |
|
|
10 |
T1u |
3097 |
2978 |
0.962 |
231 |
2160 |
|
|
11 |
T1u |
1223 |
1230 |
1.006 |
231 |
2161 |
|
|
12 |
T1u |
861 |
853 |
0.990 |
231 |
2162 |
|
|
13 |
T2g |
3086 |
2970 |
0.962 |
231 |
2163 |
|
|
14 |
T2g |
1186 |
1182 |
0.996 |
231 |
2164 |
|
|
15 |
T2g |
830 |
821 |
0.989 |
231 |
2165 |
|
|
16 |
T2g |
698 |
665 |
0.953 |
231 |
2166 |
|
|
17 |
T2u |
1045 |
1036 |
0.991 |
231 |
2167 |
|
|
18 |
T2u |
840 |
829 |
0.987 |
231 |
2168 |
C5H12 |
Pentane |
1 |
A1 |
3052 |
2973 |
0.974 |
232 |
2169 |
|
|
2 |
A1 |
2977 |
2892 |
0.971 |
232 |
2170 |
|
|
3 |
A1 |
2974 |
2866 |
0.964 |
232 |
2171 |
|
|
4 |
A1 |
2956 |
2866 |
0.970 |
232 |
2172 |
|
|
5 |
A1 |
1527 |
1480 |
0.969 |
232 |
2173 |
|
|
6 |
A1 |
1512 |
1463 |
0.967 |
232 |
2174 |
|
|
7 |
A1 |
1496 |
1450 |
0.969 |
232 |
2175 |
|
|
8 |
A1 |
1411 |
1379 |
0.977 |
232 |
2176 |
|
|
9 |
A1 |
1350 |
1346 |
0.997 |
232 |
2177 |
|
|
10 |
A1 |
1148 |
1144 |
0.997 |
232 |
2178 |
|
|
11 |
A1 |
1019 |
1036 |
1.017 |
232 |
2179 |
|
|
12 |
A1 |
864 |
867 |
1.004 |
232 |
2180 |
|
|
13 |
A1 |
393 |
401 |
1.020 |
232 |
2181 |
|
|
14 |
A1 |
175 |
179 |
1.025 |
232 |
2182 |
|
|
15 |
A2 |
3049 |
2967 |
0.973 |
232 |
2183 |
|
|
16 |
A2 |
3002 |
2908 |
0.969 |
232 |
2184 |
|
|
17 |
A2 |
1521 |
1462 |
0.961 |
232 |
2185 |
|
|
18 |
A2 |
1333 |
1346 |
1.010 |
232 |
2186 |
|
|
19 |
A2 |
1268 |
1269 |
1.000 |
232 |
2187 |
|
|
20 |
A2 |
1010 |
993 |
0.983 |
232 |
2188 |
|
|
21 |
A2 |
769 |
766 |
0.996 |
232 |
2189 |
|
|
22 |
A2 |
249 |
210 |
0.844 |
232 |
2190 |
|
|
23 |
A2 |
121 |
131 |
1.087 |
232 |
2191 |
|
|
24 |
B1 |
3052 |
2965 |
0.971 |
232 |
2192 |
|
|
25 |
B1 |
3021 |
2930 |
0.970 |
232 |
2193 |
|
|
26 |
B1 |
2983 |
2930 |
0.982 |
232 |
2194 |
|
|
27 |
B1 |
1520 |
1469 |
0.967 |
232 |
2195 |
|
|
28 |
B1 |
1330 |
1303 |
0.980 |
232 |
2196 |
|
|
29 |
B1 |
1197 |
1170 |
0.977 |
232 |
2197 |
|
|
30 |
B1 |
876 |
858 |
0.979 |
232 |
2198 |
|
|
31 |
B1 |
733 |
727 |
0.992 |
232 |
2199 |
|
|
32 |
B1 |
243 |
215 |
0.885 |
232 |
2200 |
|
|
33 |
B1 |
118 |
88 |
0.747 |
232 |
2201 |
|
|
34 |
B2 |
3051 |
2965 |
0.972 |
232 |
2202 |
|
|
35 |
B2 |
2976 |
2879 |
0.967 |
232 |
2203 |
|
|
36 |
B2 |
2967 |
2866 |
0.966 |
232 |
2204 |
|
|
37 |
B2 |
1523 |
1476 |
0.969 |
232 |
2205 |
|
|
38 |
B2 |
1500 |
1456 |
0.970 |
232 |
2206 |
|
|
39 |
B2 |
1413 |
1389 |
0.983 |
232 |
2207 |
|
|
40 |
B2 |
1355 |
1379 |
1.018 |
232 |
2208 |
|
|
41 |
B2 |
1290 |
1269 |
0.984 |
232 |
2209 |
|
|
42 |
B2 |
1061 |
1073 |
1.012 |
232 |
2210 |
|
|
43 |
B2 |
1023 |
1024 |
1.001 |
232 |
2211 |
|
|
44 |
B2 |
912 |
910 |
0.997 |
232 |
2212 |
|
|
45 |
B2 |
393 |
406 |
1.034 |
232 |
2213 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
2974 |
2909 |
0.978 |
233 |
2214 |
|
|
2 |
A1 |
1430 |
1381 |
0.966 |
233 |
2215 |
|
|
3 |
A1 |
717 |
733 |
1.023 |
233 |
2216 |
|
|
4 |
A2 |
281 |
198 |
0.703 |
233 |
2217 |
|
|
5 |
E |
3044 |
2955 |
0.971 |
233 |
2218 |
|
|
6 |
E |
1512 |
1451 |
0.960 |
233 |
2219 |
|
|
7 |
E |
1096 |
999 |
0.911 |
233 |
2220 |
|
|
8 |
E |
338 |
335 |
0.990 |
233 |
2221 |
|
|
9 |
T1 |
3042 |
2975 |
0.978 |
233 |
2222 |
|
|
10 |
T1 |
1504 |
1461 |
0.972 |
233 |
2223 |
|
|
11 |
T1 |
975 |
932 |
0.956 |
233 |
2224 |
|
|
12 |
T1 |
335 |
203 |
0.607 |
233 |
2225 |
|
|
13 |
T2 |
3048 |
2959 |
0.971 |
233 |
2226 |
|
|
14 |
T2 |
2967 |
2876 |
0.969 |
233 |
2227 |
|
|
15 |
T2 |
1541 |
1475 |
0.957 |
233 |
2228 |
|
|
16 |
T2 |
1396 |
1372 |
0.983 |
233 |
2229 |
|
|
17 |
T2 |
1265 |
1256 |
0.993 |
233 |
2230 |
|
|
18 |
T2 |
931 |
925 |
0.994 |
233 |
2231 |
|
|
19 |
T2 |
414 |
418 |
1.010 |
233 |
2232 |
C6H12 |
Cyclohexane |
1 |
A1g |
3012 |
2930 |
0.973 |
234 |
2233 |
|
|
2 |
A1g |
2963 |
2852 |
0.963 |
234 |
2234 |
|
|
3 |
A1g |
1509 |
1465 |
0.971 |
234 |
2235 |
|
|
4 |
A1g |
1158 |
1157 |
1.000 |
234 |
2236 |
|
|
5 |
A1g |
792 |
802 |
1.012 |
234 |
2237 |
|
|
6 |
A1g |
379 |
383 |
1.010 |
234 |
2238 |
|
|
7 |
A1u |
1346 |
1383 |
1.028 |
234 |
2239 |
|
|
8 |
A1u |
1132 |
1157 |
1.022 |
234 |
2240 |
|
|
9 |
A1u |
1062 |
1057 |
0.995 |
234 |
2241 |
|
|
10 |
A2g |
1347 |
1437 |
1.067 |
234 |
2242 |
|
|
11 |
A2g |
1086 |
1090 |
1.004 |
234 |
2243 |
|
|
12 |
A2u |
3028 |
2915 |
0.963 |
234 |
2244 |
|
|
13 |
A2u |
2964 |
2860 |
0.965 |
234 |
2245 |
|
|
14 |
A2u |
1501 |
1437 |
0.958 |
234 |
2246 |
|
|
15 |
A2u |
1032 |
1030 |
0.998 |
234 |
2247 |
|
|
16 |
A2u |
508 |
523 |
1.029 |
234 |
2248 |
|
|
17 |
Eg |
3017 |
2930 |
0.971 |
234 |
2249 |
|
|
18 |
Eg |
2964 |
2897 |
0.977 |
234 |
2250 |
|
|
19 |
Eg |
1486 |
1443 |
0.971 |
234 |
2251 |
|
|
20 |
Eg |
1349 |
1347 |
0.998 |
234 |
2252 |
|
|
21 |
Eg |
1278 |
1266 |
0.991 |
234 |
2253 |
|
|
22 |
Eg |
1028 |
1027 |
0.999 |
234 |
2254 |
|
|
23 |
Eg |
780 |
785 |
1.006 |
234 |
2255 |
|
|
24 |
Eg |
415 |
426 |
1.027 |
234 |
2256 |
|
|
25 |
Eu |
3009 |
2933 |
0.975 |
234 |
2257 |
|
|
26 |
Eu |
2961 |
2863 |
0.967 |
234 |
2258 |
|
|
27 |
Eu |
1486 |
1457 |
0.980 |
234 |
2259 |
|
|
28 |
Eu |
1365 |
1355 |
0.992 |
234 |
2260 |
|
|
29 |
Eu |
1284 |
1261 |
0.982 |
234 |
2261 |
|
|
30 |
Eu |
908 |
907 |
0.999 |
234 |
2262 |
|
|
31 |
Eu |
849 |
863 |
1.017 |
234 |
2263 |
|
|
32 |
Eu |
226 |
248 |
1.098 |
234 |
2264 |
C6H14 |
Hexane |
1 |
Ag |
3050 |
2966 |
0.972 |
235 |
2265 |
|
|
2 |
Ag |
2975 |
2877 |
0.967 |
235 |
2266 |
|
|
3 |
Ag |
2967 |
2863 |
0.965 |
235 |
2267 |
|
|
4 |
Ag |
2951 |
2852 |
0.966 |
235 |
2268 |
|
|
5 |
Ag |
1525 |
1460 |
0.958 |
235 |
2269 |
|
|
6 |
Ag |
1503 |
1460 |
0.971 |
235 |
2270 |
|
|
7 |
Ag |
1494 |
1440 |
0.964 |
235 |
2271 |
|
|
8 |
Ag |
1410 |
1397 |
0.991 |
235 |
2272 |
|
|
9 |
Ag |
1352 |
1366 |
1.010 |
235 |
2273 |
|
|
10 |
Ag |
1327 |
1305 |
0.984 |
235 |
2274 |
|
|
11 |
Ag |
1142 |
1140 |
0.998 |
235 |
2275 |
|
|
12 |
Ag |
1050 |
1065 |
1.015 |
235 |
2276 |
|
|
13 |
Ag |
987 |
1007 |
1.021 |
235 |
2277 |
|
|
14 |
Ag |
898 |
901 |
1.004 |
235 |
2278 |
|
|
15 |
Ag |
361 |
371 |
1.029 |
235 |
2279 |
|
|
16 |
Ag |
291 |
305 |
1.048 |
235 |
2280 |
|
|
17 |
Au |
3050 |
2967 |
0.973 |
235 |
2281 |
|
|
18 |
Au |
3022 |
2936 |
0.972 |
235 |
2282 |
|
|
19 |
Au |
2990 |
2920 |
0.977 |
235 |
2283 |
|
|
20 |
Au |
1520 |
1460 |
0.960 |
235 |
2284 |
|
|
21 |
Au |
1334 |
1303 |
0.976 |
235 |
2285 |
|
|
22 |
Au |
1252 |
1222 |
0.976 |
235 |
2286 |
|
|
23 |
Au |
1029 |
1010 |
0.982 |
235 |
2287 |
|
|
24 |
Au |
809 |
824 |
1.018 |
235 |
2288 |
|
|
25 |
Au |
729 |
726 |
0.995 |
235 |
2289 |
|
|
26 |
Au |
254 |
216 |
0.849 |
235 |
2290 |
|
|
27 |
Au |
105 |
94 |
0.898 |
235 |
2291 |
|
|
28 |
Au |
71 |
61 |
0.857 |
235 |
2292 |
|
|
29 |
Bg |
3048 |
2966 |
0.973 |
235 |
2293 |
|
|
30 |
Bg |
3007 |
2908 |
0.967 |
235 |
2294 |
|
|
31 |
Bg |
2977 |
2908 |
0.977 |
235 |
2295 |
|
|
32 |
Bg |
1520 |
1460 |
0.960 |
235 |
2296 |
|
|
33 |
Bg |
1329 |
1305 |
0.982 |
235 |
2297 |
|
|
34 |
Bg |
1308 |
1283 |
0.981 |
235 |
2298 |
|
|
35 |
Bg |
1194 |
1168 |
0.978 |
235 |
2299 |
|
|
36 |
Bg |
914 |
894 |
0.978 |
235 |
2300 |
|
|
37 |
Bg |
746 |
740 |
0.993 |
235 |
2301 |
|
|
38 |
Bg |
243 |
208 |
0.855 |
235 |
2302 |
|
|
39 |
Bg |
147 |
125 |
0.849 |
235 |
2303 |
|
|
40 |
Bu |
3050 |
2967 |
0.973 |
235 |
2304 |
|
|
41 |
Bu |
2975 |
2884 |
0.969 |
235 |
2305 |
|
|
42 |
Bu |
2971 |
2867 |
0.965 |
235 |
2306 |
|
|
43 |
Bu |
2956 |
2851 |
0.964 |
235 |
2307 |
|
|
44 |
Bu |
1526 |
1476 |
0.967 |
235 |
2308 |
|
|
45 |
Bu |
1513 |
1465 |
0.968 |
235 |
2309 |
|
|
46 |
Bu |
1494 |
1452 |
0.972 |
235 |
2310 |
|
|
47 |
Bu |
1408 |
1387 |
0.985 |
235 |
2311 |
|
|
48 |
Bu |
1356 |
1375 |
1.014 |
235 |
2312 |
|
|
49 |
Bu |
1269 |
1249 |
0.984 |
235 |
2313 |
|
|
50 |
Bu |
1068 |
1061 |
0.993 |
235 |
2314 |
|
|
51 |
Bu |
1029 |
1035 |
1.006 |
235 |
2315 |
|
|
52 |
Bu |
875 |
888 |
1.015 |
235 |
2316 |
|
|
53 |
Bu |
460 |
470 |
1.022 |
235 |
2317 |
|
|
54 |
Bu |
131 |
139 |
1.058 |
235 |
2318 |