H2 |
Hydrogen diatomic |
1 |
Σg |
4285 |
4161 |
0.971 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1373 |
1360 |
0.991 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
331 |
346 |
1.046 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1142 |
1133 |
0.992 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
156 |
158 |
1.008 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
1984 |
1987 |
1.001 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1408 |
1432 |
1.017 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2226 |
2269 |
1.019 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1597 |
1625 |
1.018 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2716 |
2733 |
1.006 |
10 |
10 |
|
|
1 |
Σ |
3045 |
|
|
10 |
11 |
SiH |
Silylidyne |
1 |
Σ |
1934 |
1971 |
1.019 |
11 |
12 |
NH |
Imidogen |
1 |
Σ |
3140 |
3126 |
0.995 |
12 |
13 |
CN |
Cyano radical |
1 |
Σ |
2094 |
2042 |
0.975 |
13 |
14 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2352 |
2330 |
0.991 |
14 |
15 |
|
|
1 |
Σg |
1804 |
1733 |
0.961 |
14 |
16 |
PH |
phosphorus monohydride |
1 |
Σ |
2262 |
2276 |
1.006 |
15 |
17 |
|
|
1 |
Σ |
2254 |
2319 |
1.029 |
15 |
18 |
PN |
Phosphorus mononitride |
1 |
Σ |
1333 |
1323 |
0.992 |
16 |
19 |
P2 |
Phosphorus diatomic |
1 |
Σg |
771 |
775 |
1.005 |
17 |
20 |
OH |
Hydroxyl radical |
1 |
Σ |
3537 |
3570 |
1.009 |
18 |
21 |
LiO |
lithium oxide |
1 |
Σ |
813 |
799 |
0.983 |
19 |
22 |
BeO |
beryllium oxide |
1 |
Σ |
1471 |
1435 |
0.975 |
20 |
23 |
BO |
boron monoxide |
1 |
Σ |
1854 |
1862 |
1.004 |
21 |
24 |
CO |
Carbon monoxide |
1 |
Σ |
2135 |
2143 |
1.004 |
22 |
25 |
|
|
1 |
Σ |
1751 |
|
|
22 |
26 |
NaO |
sodium monoxide |
1 |
Σ |
473 |
|
|
23 |
27 |
MgO |
magnesium oxide |
1 |
Σ |
797 |
775 |
0.972 |
24 |
28 |
SiO |
Silicon monoxide |
1 |
Σ |
1187 |
1230 |
1.036 |
25 |
29 |
HS |
Mercapto radical |
1 |
Σ |
2553 |
2599 |
1.018 |
26 |
30 |
BeS |
beryllium sulfide |
1 |
Σ |
986 |
986 |
0.999 |
27 |
31 |
BS |
boron sulfide |
1 |
Σ |
1159 |
1167 |
1.008 |
28 |
32 |
CS |
carbon monosulfide |
1 |
Σ |
1252 |
1272 |
1.016 |
29 |
33 |
SO |
Sulfur monoxide |
1 |
Σ |
1059 |
1138 |
1.075 |
30 |
34 |
|
|
1 |
Σ |
1055 |
1054 |
0.999 |
30 |
35 |
MgS |
magnesium sulfide |
1 |
Σ |
521 |
523 |
1.004 |
31 |
36 |
AlS |
Aluminum sulfide |
1 |
Σ |
602 |
610 |
1.014 |
32 |
37 |
SiS |
silicon monosulfide |
1 |
Σ |
714 |
744 |
1.043 |
33 |
38 |
S2 |
Sulfur diatomic |
1 |
Σg |
666 |
720 |
1.081 |
34 |
39 |
HF |
Hydrogen fluoride |
1 |
Σ |
3861 |
3961 |
1.026 |
35 |
40 |
LiF |
lithium fluoride |
1 |
Σ |
937 |
896 |
0.956 |
36 |
41 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1207 |
|
|
37 |
42 |
CF |
Fluoromethylidyne |
1 |
Σ |
1252 |
1286 |
1.027 |
38 |
43 |
NF |
nitrogen fluoride |
1 |
Σ |
1131 |
1123 |
0.993 |
39 |
44 |
F2 |
Fluorine diatomic |
1 |
Σg |
928 |
894 |
0.964 |
40 |
45 |
NaF |
sodium fluoride |
1 |
Σ |
544 |
529 |
0.971 |
41 |
46 |
AlF |
Aluminum monofluoride |
1 |
Σ |
766 |
793 |
1.035 |
42 |
47 |
SiF |
silicon monofluoride |
1 |
Σ |
799 |
848 |
1.060 |
43 |
48 |
SF |
Monosulfur monofluoride |
1 |
Σ |
757 |
829 |
1.095 |
44 |
49 |
HCl |
Hydrogen chloride |
1 |
Σ |
2817 |
2886 |
1.025 |
45 |
50 |
LiCl |
lithium chloride |
1 |
Σ |
630 |
634 |
1.006 |
46 |
51 |
BeCl |
beryllium monochloride |
1 |
Σ |
820 |
847 |
1.033 |
47 |
52 |
BCl |
boron monochloride |
1 |
Σ |
803 |
829 |
1.034 |
48 |
53 |
CCl |
carbon monochloride |
1 |
Σ |
833 |
866 |
1.040 |
49 |
54 |
ClO |
Monochlorine monoxide |
1 |
Σ |
794 |
843 |
1.061 |
50 |
55 |
ClF |
Chlorine monofluoride |
1 |
Σ |
711 |
773 |
1.088 |
51 |
56 |
NaCl |
Sodium Chloride |
1 |
Σ |
349 |
361 |
1.036 |
52 |
57 |
AlCl |
Aluminum monochloride |
1 |
Σ |
447 |
478 |
1.068 |
53 |
58 |
SiCl |
Clorosilylidyne |
1 |
Σ |
494 |
531 |
1.076 |
54 |
59 |
SCl |
sulfur monochloride |
1 |
Σ |
525 |
577 |
1.098 |
55 |
60 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
498 |
554 |
1.112 |
56 |
61 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2210 |
2159 |
0.977 |
57 |
62 |
|
|
3 |
Πu |
734 |
698 |
0.951 |
57 |
63 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1601 |
1572 |
0.982 |
58 |
64 |
|
|
3 |
Πu |
450 |
440 |
0.977 |
58 |
65 |
BH2 |
boron dihydride |
2 |
A1 |
951 |
954 |
1.002 |
59 |
66 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1765 |
1770 |
1.003 |
60 |
67 |
|
|
2 |
A1 |
737 |
760 |
1.032 |
60 |
68 |
|
|
3 |
B2 |
1812 |
1807 |
0.997 |
60 |
69 |
SiH2 |
silicon dihydride |
1 |
A1 |
1967 |
1996 |
1.014 |
61 |
70 |
|
|
2 |
A1 |
994 |
999 |
1.005 |
61 |
71 |
|
|
3 |
B2 |
1970 |
1993 |
1.011 |
61 |
72 |
NH2 |
Amino radical |
1 |
A1 |
3225 |
3219 |
0.998 |
62 |
73 |
|
|
2 |
A1 |
1557 |
1497 |
0.962 |
62 |
74 |
|
|
3 |
B2 |
3323 |
3301 |
0.993 |
62 |
75 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3368 |
3312 |
0.983 |
63 |
76 |
|
|
2 |
Σ |
2120 |
2089 |
0.985 |
63 |
77 |
|
|
3 |
Π |
731 |
712 |
0.974 |
63 |
78 |
HCP |
Phosphaethyne |
1 |
Σ |
3271 |
3217 |
0.984 |
64 |
79 |
|
|
2 |
Σ |
1301 |
1278 |
0.982 |
64 |
80 |
|
|
3 |
Π |
681 |
674 |
0.991 |
64 |
81 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
1978 |
2095 |
1.059 |
65 |
82 |
|
|
2 |
A' |
1152 |
1188 |
1.031 |
65 |
83 |
|
|
3 |
A' |
974 |
986 |
1.012 |
65 |
84 |
H2O |
Water |
1 |
A1 |
3655 |
3657 |
1.001 |
66 |
85 |
|
|
2 |
A1 |
1672 |
1595 |
0.954 |
66 |
86 |
|
|
3 |
B2 |
3774 |
3756 |
0.995 |
66 |
87 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1260 |
1246 |
0.988 |
67 |
88 |
HBO |
Boron hydride oxide |
1 |
Σ |
2817 |
2850 |
1.012 |
68 |
89 |
|
|
2 |
Σ |
1807 |
1826 |
1.010 |
68 |
90 |
|
|
3 |
Π |
753 |
756 |
1.004 |
68 |
91 |
HCO |
Formyl radical |
1 |
A' |
2539 |
2434 |
0.959 |
69 |
92 |
|
|
2 |
A' |
1878 |
1868 |
0.995 |
69 |
93 |
|
|
3 |
A' |
1092 |
1081 |
0.989 |
69 |
94 |
HNO |
Nitrosyl hydride |
1 |
A' |
2603 |
2684 |
1.031 |
70 |
95 |
|
|
2 |
A' |
1610 |
1565 |
0.972 |
70 |
96 |
|
|
3 |
A' |
1547 |
1501 |
0.970 |
70 |
97 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3365 |
3436 |
1.021 |
71 |
98 |
|
|
2 |
A' |
1433 |
1392 |
0.971 |
71 |
99 |
|
|
3 |
A' |
1117 |
1098 |
0.983 |
71 |
100 |
CO2 |
Carbon dioxide |
1 |
Σg |
1326 |
1333 |
1.005 |
72 |
101 |
|
|
2 |
Σu |
2388 |
2349 |
0.984 |
72 |
102 |
|
|
3 |
Πu |
635 |
667 |
1.050 |
72 |
103 |
N2O |
Nitrous oxide |
1 |
Σ |
2298 |
2224 |
0.968 |
73 |
104 |
|
|
2 |
Σ |
1310 |
1285 |
0.981 |
73 |
105 |
|
|
3 |
Π |
588 |
589 |
1.001 |
73 |
106 |
SiO2 |
silicon dioxide |
2 |
Σu |
1406 |
1416 |
1.008 |
74 |
107 |
|
|
3 |
Πu |
278 |
273 |
0.979 |
74 |
108 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2569 |
2615 |
1.018 |
75 |
109 |
|
|
2 |
A1 |
1204 |
1183 |
0.983 |
75 |
110 |
|
|
3 |
B2 |
2589 |
2626 |
1.014 |
75 |
111 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2757 |
2736 |
0.992 |
76 |
112 |
|
|
2 |
Σ |
1162 |
1172 |
1.009 |
76 |
113 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2078 |
2062 |
0.992 |
77 |
114 |
|
|
2 |
Σ |
863 |
859 |
0.995 |
77 |
115 |
|
|
3 |
Π |
498 |
520 |
1.044 |
77 |
116 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1074 |
1151 |
1.072 |
78 |
117 |
|
|
2 |
A1 |
480 |
518 |
1.079 |
78 |
118 |
|
|
3 |
B2 |
1256 |
1362 |
1.085 |
78 |
119 |
CS2 |
Carbon disulfide |
1 |
Σg |
661 |
658 |
0.995 |
79 |
120 |
|
|
2 |
Σu |
1548 |
1535 |
0.991 |
79 |
121 |
|
|
3 |
Πu |
379 |
397 |
1.048 |
79 |
122 |
SSO |
Disulfur monoxide |
1 |
A' |
1088 |
1166 |
1.072 |
80 |
123 |
|
|
2 |
A' |
627 |
679 |
1.082 |
80 |
124 |
|
|
3 |
A' |
358 |
380 |
1.060 |
80 |
125 |
HCF |
Fluoromethylene |
1 |
A' |
2627 |
2643 |
1.006 |
81 |
126 |
|
|
2 |
A' |
1429 |
1403 |
0.982 |
81 |
127 |
|
|
3 |
A' |
1165 |
1189 |
1.021 |
81 |
128 |
HOF |
Hypofluorous acid |
1 |
A' |
3567 |
3578 |
1.003 |
82 |
129 |
|
|
2 |
A' |
1376 |
1362 |
0.990 |
82 |
130 |
|
|
3 |
A' |
908 |
893 |
0.983 |
82 |
131 |
CF2 |
Difluoromethylene |
1 |
A1 |
1174 |
1225 |
1.044 |
83 |
132 |
|
|
2 |
A1 |
640 |
667 |
1.042 |
83 |
133 |
|
|
3 |
B2 |
1053 |
1114 |
1.059 |
83 |
134 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1882 |
1844 |
0.980 |
84 |
135 |
|
|
2 |
A' |
773 |
766 |
0.990 |
84 |
136 |
|
|
3 |
A' |
498 |
520 |
1.045 |
84 |
137 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1053 |
1075 |
1.021 |
85 |
138 |
|
|
2 |
A1 |
542 |
573 |
1.058 |
85 |
139 |
|
|
3 |
B2 |
879 |
942 |
1.073 |
85 |
140 |
F2O |
Difluorine monoxide |
1 |
A1 |
939 |
928 |
0.989 |
86 |
141 |
|
|
2 |
A1 |
440 |
461 |
1.047 |
86 |
142 |
|
|
3 |
B2 |
754 |
831 |
1.103 |
86 |
143 |
HOCl |
hypochlorous acid |
1 |
A' |
3597 |
3609 |
1.004 |
87 |
144 |
|
|
2 |
A' |
1262 |
1239 |
0.982 |
87 |
145 |
|
|
3 |
A' |
676 |
724 |
1.072 |
87 |
146 |
ClCN |
chlorocyanogen |
1 |
Σ |
2227 |
2216 |
0.995 |
88 |
147 |
|
|
2 |
Σ |
729 |
744 |
1.021 |
88 |
148 |
|
|
3 |
Π |
384 |
378 |
0.985 |
88 |
149 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1887 |
1800 |
0.954 |
89 |
150 |
|
|
2 |
A' |
579 |
596 |
1.029 |
89 |
151 |
|
|
3 |
A' |
314 |
332 |
1.058 |
89 |
152 |
OClO |
Chlorine dioxide |
1 |
A1 |
831 |
946 |
1.137 |
90 |
153 |
|
|
2 |
A1 |
388 |
448 |
1.153 |
90 |
154 |
|
|
3 |
B2 |
948 |
1110 |
1.171 |
90 |
155 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
603 |
639 |
1.060 |
91 |
156 |
|
|
2 |
A1 |
273 |
296 |
1.084 |
91 |
157 |
|
|
3 |
B2 |
516 |
686 |
1.330 |
91 |
158 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
482 |
522 |
1.082 |
92 |
159 |
|
|
2 |
A1 |
189 |
201 |
1.062 |
92 |
160 |
|
|
3 |
B2 |
473 |
509 |
1.076 |
92 |
161 |
BH3 |
boron trihydride |
2 |
A2" |
1110 |
1148 |
1.033 |
93 |
162 |
|
|
3 |
E' |
2628 |
2602 |
0.990 |
93 |
163 |
|
|
4 |
E' |
1148 |
1197 |
1.043 |
93 |
164 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1881 |
1900 |
1.010 |
94 |
165 |
|
|
2 |
A2" |
682 |
698 |
1.023 |
94 |
166 |
|
|
3 |
E' |
1896 |
1883 |
0.993 |
94 |
167 |
|
|
4 |
E' |
762 |
783 |
1.028 |
94 |
168 |
C2H2 |
Acetylene |
1 |
Σg |
3443 |
3374 |
0.980 |
95 |
169 |
|
|
2 |
Σg |
2010 |
1974 |
0.982 |
95 |
170 |
|
|
3 |
Σu |
3343 |
3289 |
0.984 |
95 |
171 |
|
|
4 |
Πg |
480 |
612 |
1.274 |
95 |
172 |
|
|
5 |
Πu |
723 |
730 |
1.010 |
95 |
173 |
SiH3 |
Silyl radical |
1 |
A1 |
2131 |
2136 |
1.002 |
96 |
174 |
|
|
2 |
A1 |
711 |
728 |
1.024 |
96 |
175 |
|
|
3 |
E |
2174 |
2185 |
1.005 |
96 |
176 |
|
|
4 |
E |
899 |
922 |
1.026 |
96 |
177 |
NH3 |
Ammonia |
1 |
A1 |
3376 |
3337 |
0.988 |
97 |
178 |
|
|
2 |
A1 |
1110 |
950 |
0.856 |
97 |
179 |
|
|
3 |
E |
3506 |
3444 |
0.982 |
97 |
180 |
|
|
4 |
E |
1710 |
1627 |
0.951 |
97 |
181 |
C2N2 |
Cyanogen |
1 |
Σg |
2340 |
2330 |
0.996 |
98 |
182 |
|
|
2 |
Σg |
874 |
846 |
0.968 |
98 |
183 |
|
|
3 |
Σu |
2172 |
2158 |
0.994 |
98 |
184 |
|
|
4 |
Πg |
558 |
503 |
0.902 |
98 |
185 |
|
|
5 |
Πu |
249 |
234 |
0.941 |
98 |
186 |
PH3 |
Phosphine |
1 |
A1 |
2306 |
2323 |
1.007 |
99 |
187 |
|
|
2 |
A1 |
1012 |
992 |
0.980 |
99 |
188 |
|
|
3 |
E |
2322 |
2328 |
1.003 |
99 |
189 |
|
|
4 |
E |
1126 |
1118 |
0.993 |
99 |
190 |
P4 |
Phosphorus tetramer |
1 |
A1 |
593 |
601 |
1.012 |
100 |
191 |
|
|
2 |
E |
366 |
361 |
0.985 |
100 |
192 |
|
|
3 |
T2 |
457 |
467 |
1.022 |
100 |
193 |
H2CO |
Formaldehyde |
1 |
A1 |
2785 |
2782 |
0.999 |
101 |
194 |
|
|
2 |
A1 |
1786 |
1746 |
0.978 |
101 |
195 |
|
|
3 |
A1 |
1503 |
1500 |
0.998 |
101 |
196 |
|
|
4 |
B1 |
1146 |
1167 |
1.019 |
101 |
197 |
|
|
5 |
B2 |
2823 |
2843 |
1.007 |
101 |
198 |
|
|
6 |
B2 |
1240 |
1249 |
1.008 |
101 |
199 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3611 |
3599 |
0.997 |
102 |
200 |
|
|
2 |
A |
1449 |
1402 |
0.967 |
102 |
201 |
|
|
3 |
A |
897 |
877 |
0.978 |
102 |
202 |
|
|
4 |
A |
331 |
371 |
1.121 |
102 |
203 |
|
|
5 |
B |
3614 |
3608 |
0.998 |
102 |
204 |
|
|
6 |
B |
1284 |
1266 |
0.986 |
102 |
205 |
HNCO |
Isocyanic acid |
1 |
A' |
3615 |
3538 |
0.979 |
103 |
206 |
|
|
2 |
A' |
2313 |
2269 |
0.981 |
103 |
207 |
|
|
3 |
A' |
1298 |
1327 |
1.022 |
103 |
208 |
|
|
4 |
A' |
787 |
777 |
0.987 |
103 |
209 |
|
|
5 |
A' |
562 |
577 |
1.028 |
103 |
210 |
|
|
6 |
A" |
610 |
656 |
1.076 |
103 |
211 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2061 |
2060 |
0.999 |
104 |
212 |
|
|
2 |
Σg |
609 |
585 |
0.960 |
104 |
213 |
|
|
3 |
Σu |
1893 |
1898 |
1.002 |
104 |
214 |
|
|
4 |
Πg |
497 |
410 |
0.826 |
104 |
215 |
|
|
5 |
Πu |
211 |
213 |
1.011 |
104 |
216 |
H2CS |
Thioformaldehyde |
1 |
A1 |
2985 |
2971 |
0.995 |
105 |
217 |
|
|
2 |
A1 |
1466 |
1456 |
0.993 |
105 |
218 |
|
|
3 |
A1 |
1066 |
1059 |
0.993 |
105 |
219 |
|
|
4 |
B1 |
988 |
990 |
1.003 |
105 |
220 |
|
|
5 |
B2 |
3069 |
3025 |
0.986 |
105 |
221 |
|
|
6 |
B2 |
993 |
991 |
0.998 |
105 |
222 |
H2S2 |
Disulfane |
1 |
A |
2507 |
2556 |
1.019 |
106 |
223 |
|
|
2 |
A |
873 |
882 |
1.010 |
106 |
224 |
|
|
3 |
A |
471 |
515 |
1.091 |
106 |
225 |
|
|
4 |
A |
443 |
417 |
0.941 |
106 |
226 |
|
|
5 |
B |
2509 |
2559 |
1.020 |
106 |
227 |
|
|
6 |
B |
873 |
878 |
1.005 |
106 |
228 |
SO3 |
Sulfur trioxide |
1 |
A1' |
975 |
1065 |
1.093 |
107 |
229 |
|
|
2 |
A2" |
439 |
498 |
1.134 |
107 |
230 |
|
|
3 |
E' |
1292 |
1391 |
1.077 |
107 |
231 |
|
|
4 |
E' |
473 |
530 |
1.120 |
107 |
232 |
BHF2 |
Difluoroborane |
1 |
A1 |
2624 |
2621 |
0.999 |
108 |
233 |
|
|
2 |
A1 |
1117 |
1164 |
1.042 |
108 |
234 |
|
|
3 |
A1 |
521 |
542 |
1.039 |
108 |
235 |
|
|
4 |
B1 |
887 |
924 |
1.041 |
108 |
236 |
|
|
5 |
B2 |
1374 |
1402 |
1.020 |
108 |
237 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1934 |
1928 |
0.997 |
109 |
238 |
|
|
2 |
A1 |
927 |
965 |
1.041 |
109 |
239 |
|
|
3 |
A1 |
561 |
584 |
1.042 |
109 |
240 |
|
|
4 |
B1 |
743 |
774 |
1.042 |
109 |
241 |
|
|
5 |
B2 |
1176 |
1249 |
1.062 |
109 |
242 |
|
|
6 |
B2 |
595 |
626 |
1.052 |
109 |
243 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
849 |
888 |
1.046 |
110 |
244 |
|
|
2 |
A2" |
659 |
691 |
1.048 |
110 |
245 |
|
|
3 |
E' |
1405 |
1449 |
1.032 |
110 |
246 |
|
|
4 |
E' |
459 |
480 |
1.046 |
110 |
247 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1504 |
1523 |
1.013 |
111 |
248 |
|
|
2 |
Ag |
994 |
1018 |
1.024 |
111 |
249 |
|
|
3 |
Ag |
582 |
603 |
1.036 |
111 |
250 |
|
|
4 |
Au |
349 |
364 |
1.042 |
111 |
251 |
|
|
5 |
Bu |
956 |
991 |
1.037 |
111 |
252 |
|
|
6 |
Bu |
404 |
423 |
1.048 |
111 |
253 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1041 |
1089 |
1.047 |
112 |
254 |
|
|
2 |
A1 |
673 |
701 |
1.042 |
112 |
255 |
|
|
3 |
E |
1193 |
1260 |
1.057 |
112 |
256 |
|
|
4 |
E |
487 |
509 |
1.045 |
112 |
257 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1003 |
1032 |
1.029 |
113 |
258 |
|
|
2 |
A1 |
604 |
647 |
1.071 |
113 |
259 |
|
|
3 |
E |
806 |
907 |
1.126 |
113 |
260 |
|
|
4 |
E |
450 |
492 |
1.093 |
113 |
261 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
663 |
690 |
1.040 |
114 |
262 |
|
|
2 |
A2" |
275 |
297 |
1.079 |
114 |
263 |
|
|
3 |
E' |
935 |
935 |
1.000 |
114 |
264 |
|
|
4 |
E' |
233 |
263 |
1.127 |
114 |
265 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
823 |
892 |
1.083 |
115 |
266 |
|
|
2 |
A1 |
432 |
487 |
1.127 |
115 |
267 |
|
|
3 |
E |
797 |
860 |
1.080 |
115 |
268 |
|
|
4 |
E |
305 |
344 |
1.126 |
115 |
269 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2635 |
2617 |
0.993 |
116 |
270 |
|
|
2 |
A1 |
720 |
740 |
1.028 |
116 |
271 |
|
|
4 |
B1 |
744 |
784 |
1.054 |
116 |
272 |
|
|
5 |
B2 |
1058 |
1089 |
1.029 |
116 |
273 |
|
|
6 |
B2 |
881 |
892 |
1.012 |
116 |
274 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1330 |
1267 |
0.953 |
117 |
275 |
|
|
2 |
A1 |
781 |
793 |
1.016 |
117 |
276 |
|
|
3 |
A1 |
334 |
364 |
1.090 |
117 |
277 |
|
|
4 |
B1 |
635 |
652 |
1.026 |
117 |
278 |
|
|
5 |
B2 |
1806 |
1684 |
0.932 |
117 |
279 |
|
|
6 |
B2 |
384 |
408 |
1.064 |
117 |
280 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
618 |
752 |
1.217 |
118 |
281 |
|
|
2 |
A1 |
474 |
529 |
1.117 |
118 |
282 |
|
|
3 |
A1 |
229 |
328 |
1.430 |
118 |
283 |
|
|
4 |
B1 |
296 |
328 |
1.107 |
118 |
284 |
|
|
5 |
B2 |
684 |
702 |
1.026 |
118 |
285 |
|
|
6 |
B2 |
329 |
442 |
1.343 |
118 |
286 |
CCl2O |
Phosgene |
1 |
A1 |
1844 |
1827 |
0.991 |
119 |
287 |
|
|
2 |
A1 |
545 |
567 |
1.040 |
119 |
288 |
|
|
3 |
A1 |
297 |
285 |
0.960 |
119 |
289 |
|
|
4 |
B1 |
566 |
580 |
1.025 |
119 |
290 |
|
|
5 |
B2 |
779 |
849 |
1.090 |
119 |
291 |
|
|
6 |
B2 |
422 |
440 |
1.044 |
119 |
292 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
800 |
820 |
1.024 |
120 |
293 |
|
|
2 |
A1 |
490 |
500 |
1.020 |
120 |
294 |
|
|
3 |
A1 |
220 |
250 |
1.136 |
120 |
295 |
|
|
4 |
B1 |
244 |
260 |
1.066 |
120 |
296 |
|
|
5 |
B2 |
927 |
900 |
0.971 |
120 |
297 |
|
|
6 |
B2 |
174 |
200 |
1.152 |
120 |
298 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
464 |
471 |
1.015 |
121 |
299 |
|
|
2 |
A2" |
437 |
460 |
1.053 |
121 |
300 |
|
|
3 |
E' |
934 |
956 |
1.024 |
121 |
301 |
|
|
4 |
E' |
254 |
243 |
0.958 |
121 |
302 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
862 |
850 |
0.986 |
122 |
303 |
|
|
2 |
A1 |
422 |
450 |
1.066 |
122 |
304 |
|
|
3 |
A1 |
145 |
150 |
1.038 |
122 |
305 |
|
|
4 |
B1 |
218 |
220 |
1.009 |
122 |
306 |
|
|
5 |
B2 |
615 |
610 |
0.993 |
122 |
307 |
|
|
6 |
B2 |
188 |
200 |
1.065 |
122 |
308 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
372 |
375 |
1.007 |
123 |
309 |
|
|
2 |
A2" |
190 |
183 |
0.963 |
123 |
310 |
|
|
3 |
E' |
606 |
595 |
0.981 |
123 |
311 |
|
|
4 |
E' |
140 |
150 |
1.075 |
123 |
312 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
468 |
504 |
1.077 |
124 |
313 |
|
|
2 |
A1 |
240 |
252 |
1.051 |
124 |
314 |
|
|
3 |
E |
443 |
482 |
1.089 |
124 |
315 |
|
|
4 |
E |
174 |
198 |
1.136 |
124 |
316 |
CH4 |
Methane |
1 |
A1 |
2973 |
2917 |
0.981 |
125 |
317 |
|
|
2 |
E |
1538 |
1534 |
0.997 |
125 |
318 |
|
|
3 |
T2 |
3089 |
3019 |
0.977 |
125 |
319 |
|
|
4 |
T2 |
1306 |
1306 |
1.000 |
125 |
320 |
SiH4 |
Silane |
1 |
A1 |
2170 |
2187 |
1.008 |
126 |
321 |
|
|
2 |
E |
942 |
975 |
1.035 |
126 |
322 |
|
|
3 |
T2 |
2183 |
2191 |
1.004 |
126 |
323 |
|
|
4 |
T2 |
871 |
914 |
1.050 |
126 |
324 |
CH2NH |
Methanimine |
1 |
A' |
3317 |
3263 |
0.984 |
127 |
325 |
|
|
2 |
A' |
3033 |
3024 |
0.997 |
127 |
326 |
|
|
3 |
A' |
2923 |
2914 |
0.997 |
127 |
327 |
|
|
4 |
A' |
1671 |
1638 |
0.980 |
127 |
328 |
|
|
5 |
A' |
1463 |
1452 |
0.992 |
127 |
329 |
|
|
6 |
A' |
1352 |
1344 |
0.995 |
127 |
330 |
|
|
7 |
A' |
1059 |
1058 |
1.000 |
127 |
331 |
|
|
8 |
A" |
1150 |
1127 |
0.980 |
127 |
332 |
|
|
9 |
A" |
1047 |
1061 |
1.013 |
127 |
333 |
CH2CO |
Ketene |
1 |
A1 |
3115 |
3070 |
0.986 |
128 |
334 |
|
|
2 |
A1 |
2189 |
2152 |
0.983 |
128 |
335 |
|
|
3 |
A1 |
1365 |
1388 |
1.017 |
128 |
336 |
|
|
4 |
A1 |
1144 |
1118 |
0.977 |
128 |
337 |
|
|
5 |
B1 |
563 |
588 |
1.044 |
128 |
338 |
|
|
6 |
B1 |
490 |
528 |
1.077 |
128 |
339 |
|
|
7 |
B2 |
3203 |
3166 |
0.989 |
128 |
340 |
|
|
8 |
B2 |
963 |
977 |
1.014 |
128 |
341 |
|
|
9 |
B2 |
430 |
433 |
1.007 |
128 |
342 |
HCOOH |
Formic acid |
1 |
A' |
3565 |
3570 |
1.001 |
129 |
343 |
|
|
2 |
A' |
2970 |
2943 |
0.991 |
129 |
344 |
|
|
3 |
A' |
1788 |
1770 |
0.990 |
129 |
345 |
|
|
4 |
A' |
1370 |
1387 |
1.013 |
129 |
346 |
|
|
5 |
A' |
1277 |
1229 |
0.962 |
129 |
347 |
|
|
6 |
A' |
1097 |
1105 |
1.007 |
129 |
348 |
|
|
7 |
A' |
610 |
625 |
1.025 |
129 |
349 |
|
|
8 |
A" |
1004 |
1033 |
1.029 |
129 |
350 |
|
|
9 |
A" |
721 |
638 |
0.884 |
129 |
351 |
HNO3 |
Nitric acid |
1 |
A' |
3583 |
3550 |
0.991 |
130 |
352 |
|
|
2 |
A' |
1748 |
1708 |
0.977 |
130 |
353 |
|
|
3 |
A' |
1320 |
1331 |
1.009 |
130 |
354 |
|
|
4 |
A' |
1289 |
1325 |
1.028 |
130 |
355 |
|
|
5 |
A' |
856 |
879 |
1.027 |
130 |
356 |
|
|
6 |
A' |
603 |
647 |
1.073 |
130 |
357 |
|
|
7 |
A' |
559 |
579 |
1.035 |
130 |
358 |
|
|
8 |
A" |
747 |
762 |
1.020 |
130 |
359 |
|
|
9 |
A" |
496 |
456 |
0.920 |
130 |
360 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2210 |
2196 |
0.994 |
131 |
361 |
|
|
2 |
Σg |
763 |
786 |
1.031 |
131 |
362 |
|
|
3 |
Σu |
2384 |
2258 |
0.947 |
131 |
363 |
|
|
4 |
Σu |
1597 |
1573 |
0.985 |
131 |
364 |
|
|
5 |
Πg |
566 |
573 |
1.012 |
131 |
365 |
|
|
6 |
Πu |
551 |
550 |
0.998 |
131 |
366 |
|
|
7 |
Πu |
81 |
61 |
0.755 |
131 |
367 |
CH3F |
Methyl fluoride |
1 |
A1 |
2949 |
2930 |
0.993 |
132 |
368 |
|
|
2 |
A1 |
1465 |
1464 |
1.000 |
132 |
369 |
|
|
3 |
A1 |
1042 |
1049 |
1.007 |
132 |
370 |
|
|
4 |
E |
3030 |
3006 |
0.992 |
132 |
371 |
|
|
5 |
E |
1458 |
1467 |
1.006 |
132 |
372 |
|
|
6 |
E |
1164 |
1182 |
1.015 |
132 |
373 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
2969 |
2948 |
0.993 |
133 |
374 |
|
|
2 |
A1 |
1490 |
1508 |
1.012 |
133 |
375 |
|
|
3 |
A1 |
1081 |
1111 |
1.028 |
133 |
376 |
|
|
4 |
A1 |
509 |
529 |
1.038 |
133 |
377 |
|
|
5 |
A2 |
1235 |
1262 |
1.022 |
133 |
378 |
|
|
6 |
B1 |
3038 |
3014 |
0.992 |
133 |
379 |
|
|
7 |
B1 |
1153 |
1178 |
1.022 |
133 |
380 |
|
|
8 |
B2 |
1435 |
1435 |
1.000 |
133 |
381 |
|
|
9 |
B2 |
1054 |
1090 |
1.034 |
133 |
382 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3057 |
3036 |
0.993 |
134 |
383 |
|
|
2 |
A1 |
1098 |
1117 |
1.017 |
134 |
384 |
|
|
3 |
A1 |
672 |
700 |
1.042 |
134 |
385 |
|
|
4 |
E |
1356 |
1372 |
1.012 |
134 |
386 |
|
|
5 |
E |
1105 |
1152 |
1.043 |
134 |
387 |
|
|
6 |
E |
486 |
507 |
1.043 |
134 |
388 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
867 |
909 |
1.047 |
135 |
389 |
|
|
2 |
E |
414 |
435 |
1.050 |
135 |
390 |
|
|
3 |
T2 |
1215 |
1283 |
1.056 |
135 |
391 |
|
|
4 |
T2 |
599 |
631 |
1.054 |
135 |
392 |
SiH3F |
monofluorosilane |
1 |
A1 |
2182 |
2206 |
1.011 |
136 |
393 |
|
|
2 |
A1 |
990 |
990 |
1.000 |
136 |
394 |
|
|
3 |
A1 |
830 |
872 |
1.051 |
136 |
395 |
|
|
4 |
E |
2190 |
2196 |
1.003 |
136 |
396 |
|
|
5 |
E |
914 |
956 |
1.046 |
136 |
397 |
|
|
6 |
E |
705 |
728 |
1.033 |
136 |
398 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
742 |
800 |
1.078 |
137 |
399 |
|
|
2 |
E |
245 |
268 |
1.096 |
137 |
400 |
|
|
3 |
T2 |
986 |
1032 |
1.047 |
137 |
401 |
|
|
4 |
T2 |
358 |
389 |
1.087 |
137 |
402 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1360 |
1417 |
1.042 |
138 |
403 |
|
|
2 |
A1 |
788 |
873 |
1.108 |
138 |
404 |
|
|
3 |
A1 |
437 |
472 |
1.081 |
138 |
405 |
|
|
4 |
E |
913 |
991 |
1.086 |
138 |
406 |
|
|
5 |
E |
422 |
482 |
1.141 |
138 |
407 |
|
|
6 |
E |
301 |
336 |
1.118 |
138 |
408 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3008 |
2966 |
0.986 |
139 |
409 |
|
|
2 |
A1 |
1361 |
1355 |
0.995 |
139 |
410 |
|
|
3 |
A1 |
708 |
732 |
1.034 |
139 |
411 |
|
|
4 |
E |
3109 |
3042 |
0.979 |
139 |
412 |
|
|
5 |
E |
1449 |
1455 |
1.004 |
139 |
413 |
|
|
6 |
E |
1015 |
1015 |
1.000 |
139 |
414 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2185 |
2201 |
1.007 |
140 |
415 |
|
|
2 |
A1 |
919 |
949 |
1.033 |
140 |
416 |
|
|
3 |
A1 |
519 |
551 |
1.061 |
140 |
417 |
|
|
4 |
E |
2202 |
2195 |
0.997 |
140 |
418 |
|
|
5 |
E |
915 |
954 |
1.042 |
140 |
419 |
|
|
6 |
E |
640 |
664 |
1.038 |
140 |
420 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3052 |
2999 |
0.983 |
141 |
421 |
|
|
2 |
A1 |
1422 |
1467 |
1.032 |
141 |
422 |
|
|
3 |
A1 |
690 |
717 |
1.039 |
141 |
423 |
|
|
4 |
A1 |
280 |
282 |
1.008 |
141 |
424 |
|
|
5 |
A2 |
1168 |
1153 |
0.987 |
141 |
425 |
|
|
6 |
B1 |
3130 |
3040 |
0.971 |
141 |
426 |
|
|
7 |
B1 |
886 |
898 |
1.014 |
141 |
427 |
|
|
8 |
B2 |
1280 |
1268 |
0.990 |
141 |
428 |
|
|
9 |
B2 |
699 |
758 |
1.085 |
141 |
429 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1033 |
1105 |
1.069 |
142 |
430 |
|
|
2 |
A1 |
749 |
781 |
1.043 |
142 |
431 |
|
|
3 |
A1 |
443 |
476 |
1.075 |
142 |
432 |
|
|
4 |
E |
1173 |
1212 |
1.034 |
142 |
433 |
|
|
5 |
E |
538 |
563 |
1.046 |
142 |
434 |
|
|
6 |
E |
334 |
350 |
1.049 |
142 |
435 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2204 |
2224 |
1.009 |
143 |
436 |
|
|
2 |
A1 |
919 |
954 |
1.039 |
143 |
437 |
|
|
3 |
A1 |
500 |
527 |
1.054 |
143 |
438 |
|
|
4 |
A1 |
183 |
188 |
1.027 |
143 |
439 |
|
|
5 |
A2 |
691 |
710 |
1.027 |
143 |
440 |
|
|
6 |
B1 |
2222 |
2237 |
1.007 |
143 |
441 |
|
|
7 |
B1 |
572 |
602 |
1.052 |
143 |
442 |
|
|
8 |
B2 |
849 |
876 |
1.031 |
143 |
443 |
|
|
9 |
B2 |
558 |
590 |
1.057 |
143 |
444 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
927 |
1061 |
1.144 |
144 |
445 |
|
|
2 |
A1 |
629 |
715 |
1.137 |
144 |
446 |
|
|
3 |
A1 |
449 |
549 |
1.223 |
144 |
447 |
|
|
4 |
E |
1159 |
1315 |
1.134 |
144 |
448 |
|
|
5 |
E |
496 |
589 |
1.188 |
144 |
449 |
|
|
6 |
E |
322 |
405 |
1.257 |
144 |
450 |
CHCl3 |
Chloroform |
1 |
A1 |
3107 |
3034 |
0.977 |
145 |
451 |
|
|
2 |
A1 |
653 |
680 |
1.042 |
145 |
452 |
|
|
3 |
A1 |
360 |
366 |
1.016 |
145 |
453 |
|
|
4 |
E |
1220 |
1220 |
0.999 |
145 |
454 |
|
|
5 |
E |
701 |
774 |
1.104 |
145 |
455 |
|
|
6 |
E |
257 |
260 |
1.010 |
145 |
456 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1058 |
1101 |
1.040 |
146 |
457 |
|
|
2 |
A1 |
642 |
667 |
1.039 |
146 |
458 |
|
|
3 |
A1 |
431 |
458 |
1.061 |
146 |
459 |
|
|
4 |
A1 |
254 |
262 |
1.030 |
146 |
460 |
|
|
5 |
A2 |
312 |
322 |
1.032 |
146 |
461 |
|
|
6 |
B1 |
829 |
902 |
1.088 |
146 |
462 |
|
|
7 |
B1 |
413 |
437 |
1.058 |
146 |
463 |
|
|
8 |
B2 |
1133 |
1159 |
1.023 |
146 |
464 |
|
|
9 |
B2 |
421 |
446 |
1.059 |
146 |
465 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1060 |
1085 |
1.023 |
147 |
466 |
|
|
2 |
A1 |
510 |
535 |
1.050 |
147 |
467 |
|
|
3 |
A1 |
341 |
350 |
1.026 |
147 |
468 |
|
|
4 |
E |
766 |
847 |
1.106 |
147 |
469 |
|
|
5 |
E |
384 |
394 |
1.025 |
147 |
470 |
|
|
6 |
E |
240 |
241 |
1.003 |
147 |
471 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1111 |
1205 |
1.085 |
148 |
472 |
|
|
2 |
A1 |
503 |
577 |
1.148 |
148 |
473 |
|
|
3 |
A1 |
339 |
408 |
1.204 |
148 |
474 |
|
|
4 |
A1 |
183 |
218 |
1.193 |
148 |
475 |
|
|
5 |
A2 |
245 |
282 |
1.150 |
148 |
476 |
|
|
6 |
B1 |
515 |
586 |
1.139 |
148 |
477 |
|
|
7 |
B1 |
324 |
388 |
1.197 |
148 |
478 |
|
|
8 |
B2 |
1352 |
1434 |
1.061 |
148 |
479 |
|
|
9 |
B2 |
322 |
362 |
1.124 |
148 |
480 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2244 |
2261 |
1.007 |
149 |
481 |
|
|
2 |
A1 |
470 |
499 |
1.061 |
149 |
482 |
|
|
3 |
A1 |
244 |
254 |
1.040 |
149 |
483 |
|
|
4 |
E |
779 |
811 |
1.041 |
149 |
484 |
|
|
5 |
E |
571 |
600 |
1.051 |
149 |
485 |
|
|
6 |
E |
172 |
176 |
1.021 |
149 |
486 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
442 |
459 |
1.039 |
150 |
487 |
|
|
2 |
E |
216 |
217 |
1.003 |
150 |
488 |
|
|
3 |
T2 |
708 |
776 |
1.097 |
150 |
489 |
|
|
4 |
T2 |
311 |
314 |
1.011 |
150 |
490 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1268 |
1322 |
1.042 |
151 |
491 |
|
|
2 |
A1 |
432 |
481 |
1.112 |
151 |
492 |
|
|
3 |
A1 |
254 |
266 |
1.046 |
151 |
493 |
|
|
4 |
E |
535 |
590 |
1.102 |
151 |
494 |
|
|
5 |
E |
308 |
333 |
1.082 |
151 |
495 |
|
|
6 |
E |
180 |
187 |
1.041 |
151 |
496 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
399 |
424 |
1.062 |
152 |
497 |
|
|
2 |
E |
146 |
150 |
1.026 |
152 |
498 |
|
|
3 |
T2 |
591 |
621 |
1.050 |
152 |
499 |
|
|
4 |
T2 |
217 |
221 |
1.018 |
152 |
500 |
C2H4 |
Ethylene |
1 |
Ag |
3072 |
3026 |
0.985 |
153 |
501 |
|
|
2 |
Ag |
1653 |
1623 |
0.982 |
153 |
502 |
|
|
3 |
Ag |
1347 |
1342 |
0.997 |
153 |
503 |
|
|
4 |
Au |
1037 |
1023 |
0.986 |
153 |
504 |
|
|
5 |
B1u |
3057 |
2989 |
0.978 |
153 |
505 |
|
|
6 |
B1u |
1430 |
1444 |
1.010 |
153 |
506 |
|
|
7 |
B2g |
905 |
940 |
1.038 |
153 |
507 |
|
|
8 |
B2u |
3158 |
3105 |
0.983 |
153 |
508 |
|
|
9 |
B2u |
812 |
826 |
1.018 |
153 |
509 |
|
|
10 |
B3g |
3130 |
3086 |
0.986 |
153 |
510 |
|
|
11 |
B3g |
1207 |
1217 |
1.009 |
153 |
511 |
|
|
12 |
B3u |
928 |
949 |
1.023 |
153 |
512 |
C3H3 |
Propargyl radical |
1 |
A1 |
3394 |
3322 |
0.979 |
154 |
513 |
|
|
6 |
B1 |
646 |
687 |
1.064 |
154 |
514 |
|
|
7 |
B1 |
399 |
490 |
1.229 |
154 |
515 |
N2H4 |
Hydrazine |
1 |
A |
3455 |
3398 |
0.984 |
155 |
516 |
|
|
2 |
A |
3342 |
3329 |
0.996 |
155 |
517 |
|
|
3 |
A |
1704 |
1642 |
0.964 |
155 |
518 |
|
|
4 |
A |
1334 |
1275 |
0.956 |
155 |
519 |
|
|
5 |
A |
1123 |
1076 |
0.958 |
155 |
520 |
|
|
6 |
A |
799 |
780 |
0.977 |
155 |
521 |
|
|
7 |
A |
451 |
377 |
0.835 |
155 |
522 |
|
|
8 |
B |
3464 |
3350 |
0.967 |
155 |
523 |
|
|
9 |
B |
3325 |
3314 |
0.997 |
155 |
524 |
|
|
10 |
B |
1687 |
1628 |
0.965 |
155 |
525 |
|
|
11 |
B |
1293 |
1275 |
0.986 |
155 |
526 |
|
|
12 |
B |
1010 |
966 |
0.956 |
155 |
527 |
CH3CN |
Acetonitrile |
1 |
A1 |
2985 |
2954 |
0.990 |
156 |
528 |
|
|
2 |
A1 |
2288 |
2267 |
0.991 |
156 |
529 |
|
|
3 |
A1 |
1374 |
1385 |
1.008 |
156 |
530 |
|
|
4 |
A1 |
924 |
920 |
0.995 |
156 |
531 |
|
|
5 |
E |
3059 |
3009 |
0.984 |
156 |
532 |
|
|
6 |
E |
1442 |
1448 |
1.004 |
156 |
533 |
|
|
7 |
E |
1032 |
1041 |
1.009 |
156 |
534 |
|
|
8 |
E |
377 |
362 |
0.959 |
156 |
535 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2292 |
2290 |
0.999 |
157 |
536 |
|
|
2 |
Σg |
2124 |
2119 |
0.997 |
157 |
537 |
|
|
3 |
Σg |
613 |
692 |
1.128 |
157 |
538 |
|
|
4 |
Σu |
2255 |
2241 |
0.994 |
157 |
539 |
|
|
5 |
Σu |
1188 |
1154 |
0.972 |
157 |
540 |
|
|
6 |
Πg |
583 |
504 |
0.865 |
157 |
541 |
|
|
7 |
Πg |
285 |
263 |
0.923 |
157 |
542 |
|
|
8 |
Πu |
514 |
472 |
0.918 |
157 |
543 |
|
|
9 |
Πu |
112 |
107 |
0.960 |
157 |
544 |
CH3OH |
Methyl alcohol |
1 |
A' |
3675 |
3681 |
1.002 |
158 |
545 |
|
|
2 |
A' |
3050 |
3000 |
0.984 |
158 |
546 |
|
|
3 |
A' |
2901 |
2844 |
0.980 |
158 |
547 |
|
|
4 |
A' |
1479 |
1477 |
0.998 |
158 |
548 |
|
|
5 |
A' |
1452 |
1455 |
1.002 |
158 |
549 |
|
|
6 |
A' |
1362 |
1345 |
0.988 |
158 |
550 |
|
|
7 |
A' |
1064 |
1060 |
0.996 |
158 |
551 |
|
|
8 |
A' |
1033 |
1033 |
1.000 |
158 |
552 |
|
|
9 |
A" |
2943 |
2960 |
1.006 |
158 |
553 |
|
|
10 |
A" |
1460 |
1477 |
1.011 |
158 |
554 |
|
|
11 |
A" |
1138 |
1165 |
1.024 |
158 |
555 |
|
|
12 |
A" |
355 |
200 |
0.563 |
158 |
556 |
C2H2O2 |
Ethanedial |
1 |
Ag |
2838 |
2843 |
1.002 |
159 |
557 |
|
|
2 |
Ag |
1746 |
1745 |
0.999 |
159 |
558 |
|
|
3 |
Ag |
1339 |
1338 |
0.999 |
159 |
559 |
|
|
4 |
Ag |
1025 |
1065 |
1.039 |
159 |
560 |
|
|
5 |
Ag |
534 |
551 |
1.031 |
159 |
561 |
|
|
6 |
Au |
774 |
801 |
1.035 |
159 |
562 |
|
|
7 |
Au |
127 |
127 |
0.999 |
159 |
563 |
|
|
8 |
Bg |
1027 |
1048 |
1.021 |
159 |
564 |
|
|
9 |
Bu |
2829 |
2835 |
1.002 |
159 |
565 |
|
|
10 |
Bu |
1752 |
1732 |
0.988 |
159 |
566 |
|
|
11 |
Bu |
1289 |
1312 |
1.018 |
159 |
567 |
|
|
12 |
Bu |
317 |
339 |
1.068 |
159 |
568 |
CH3SH |
Methanethiol |
1 |
A' |
3082 |
3000 |
0.973 |
160 |
569 |
|
|
2 |
A' |
2991 |
2931 |
0.980 |
160 |
570 |
|
|
3 |
A' |
2552 |
2597 |
1.017 |
160 |
571 |
|
|
4 |
A' |
1455 |
1475 |
1.014 |
160 |
572 |
|
|
5 |
A' |
1340 |
1335 |
0.997 |
160 |
573 |
|
|
6 |
A' |
1077 |
1074 |
0.997 |
160 |
574 |
|
|
7 |
A' |
783 |
803 |
1.026 |
160 |
575 |
|
|
8 |
A' |
687 |
708 |
1.030 |
160 |
576 |
|
|
9 |
A" |
3077 |
3000 |
0.975 |
160 |
577 |
|
|
10 |
A" |
1448 |
1430 |
0.988 |
160 |
578 |
|
|
11 |
A" |
960 |
976 |
1.017 |
160 |
579 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3195 |
3115 |
0.975 |
161 |
580 |
|
|
2 |
A' |
3119 |
3080 |
0.987 |
161 |
581 |
|
|
3 |
A' |
3097 |
3052 |
0.985 |
161 |
582 |
|
|
4 |
A' |
1670 |
1654 |
0.991 |
161 |
583 |
|
|
5 |
A' |
1373 |
1380 |
1.005 |
161 |
584 |
|
|
6 |
A' |
1295 |
1306 |
1.008 |
161 |
585 |
|
|
7 |
A' |
1142 |
1156 |
1.012 |
161 |
586 |
|
|
8 |
A' |
914 |
929 |
1.017 |
161 |
587 |
|
|
9 |
A' |
470 |
483 |
1.027 |
161 |
588 |
|
|
10 |
A" |
927 |
940 |
1.014 |
161 |
589 |
|
|
11 |
A" |
815 |
863 |
1.059 |
161 |
590 |
|
|
12 |
A" |
708 |
711 |
1.005 |
161 |
591 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3131 |
3070 |
0.981 |
162 |
592 |
|
|
2 |
A1 |
1729 |
1728 |
0.999 |
162 |
593 |
|
|
3 |
A1 |
1369 |
1360 |
0.993 |
162 |
594 |
|
|
4 |
A1 |
911 |
926 |
1.016 |
162 |
595 |
|
|
5 |
A1 |
534 |
550 |
1.030 |
162 |
596 |
|
|
6 |
A2 |
695 |
714 |
1.027 |
162 |
597 |
|
|
7 |
B1 |
754 |
803 |
1.066 |
162 |
598 |
|
|
8 |
B1 |
613 |
611 |
0.997 |
162 |
599 |
|
|
9 |
B2 |
3230 |
3154 |
0.977 |
162 |
600 |
|
|
10 |
B2 |
1270 |
1302 |
1.025 |
162 |
601 |
|
|
11 |
B2 |
932 |
955 |
1.025 |
162 |
602 |
|
|
12 |
B2 |
425 |
438 |
1.031 |
162 |
603 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2295 |
2275 |
0.991 |
163 |
604 |
|
|
2 |
A1 |
1185 |
1227 |
1.035 |
163 |
605 |
|
|
3 |
A1 |
781 |
802 |
1.027 |
163 |
606 |
|
|
4 |
A1 |
504 |
522 |
1.035 |
163 |
607 |
|
|
5 |
E |
1141 |
1214 |
1.064 |
163 |
608 |
|
|
6 |
E |
606 |
618 |
1.020 |
163 |
609 |
|
|
7 |
E |
448 |
463 |
1.033 |
163 |
610 |
|
|
8 |
E |
186 |
196 |
1.056 |
163 |
611 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1844 |
1872 |
1.015 |
164 |
612 |
|
|
2 |
Ag |
768 |
778 |
1.012 |
164 |
613 |
|
|
3 |
Ag |
385 |
394 |
1.024 |
164 |
614 |
|
|
4 |
Au |
188 |
190 |
1.010 |
164 |
615 |
|
|
5 |
B1u |
1150 |
1186 |
1.031 |
164 |
616 |
|
|
6 |
B1u |
535 |
558 |
1.042 |
164 |
617 |
|
|
7 |
B2g |
487 |
508 |
1.044 |
164 |
618 |
|
|
8 |
B2u |
1286 |
1337 |
1.040 |
164 |
619 |
|
|
9 |
B2u |
197 |
218 |
1.104 |
164 |
620 |
|
|
10 |
B3g |
1285 |
1340 |
1.043 |
164 |
621 |
|
|
11 |
B3g |
530 |
551 |
1.039 |
164 |
622 |
|
|
12 |
B3u |
403 |
406 |
1.006 |
164 |
623 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
730 |
816 |
1.117 |
165 |
624 |
|
|
2 |
A1' |
606 |
648 |
1.069 |
165 |
625 |
|
|
3 |
A2" |
911 |
947 |
1.040 |
165 |
626 |
|
|
4 |
A2" |
525 |
575 |
1.096 |
165 |
627 |
|
|
5 |
E' |
946 |
1024 |
1.083 |
165 |
628 |
|
|
6 |
E' |
483 |
533 |
1.104 |
165 |
629 |
|
|
7 |
E' |
153 |
174 |
1.136 |
165 |
630 |
|
|
8 |
E" |
463 |
520 |
1.124 |
165 |
631 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3609 |
3602 |
0.998 |
166 |
632 |
|
|
2 |
A |
1408 |
1486 |
1.055 |
166 |
633 |
|
|
3 |
A |
1161 |
1243 |
1.071 |
166 |
634 |
|
|
4 |
A |
1131 |
1150 |
1.017 |
166 |
635 |
|
|
5 |
A |
794 |
896 |
1.128 |
166 |
636 |
|
|
6 |
A |
713 |
823 |
1.154 |
166 |
637 |
|
|
7 |
A |
488 |
562 |
1.152 |
166 |
638 |
|
|
8 |
A |
470 |
551 |
1.172 |
166 |
639 |
|
|
9 |
A |
460 |
518 |
1.126 |
166 |
640 |
|
|
10 |
A |
387 |
409 |
1.056 |
166 |
641 |
|
|
11 |
A |
332 |
390 |
1.173 |
166 |
642 |
|
|
12 |
A |
264 |
266 |
1.007 |
166 |
643 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3178 |
3121 |
0.982 |
167 |
644 |
|
|
2 |
A' |
3137 |
3086 |
0.984 |
167 |
645 |
|
|
3 |
A' |
3085 |
3030 |
0.982 |
167 |
646 |
|
|
4 |
A' |
1626 |
1608 |
0.989 |
167 |
647 |
|
|
5 |
A' |
1365 |
1368 |
1.002 |
167 |
648 |
|
|
6 |
A' |
1276 |
1279 |
1.003 |
167 |
649 |
|
|
7 |
A' |
1015 |
1030 |
1.015 |
167 |
650 |
|
|
8 |
A' |
695 |
720 |
1.036 |
167 |
651 |
|
|
9 |
A' |
392 |
395 |
1.009 |
167 |
652 |
|
|
10 |
A" |
937 |
941 |
1.005 |
167 |
653 |
|
|
11 |
A" |
855 |
896 |
1.048 |
167 |
654 |
|
|
12 |
A" |
613 |
620 |
1.011 |
167 |
655 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3103 |
3035 |
0.978 |
168 |
656 |
|
|
2 |
A1 |
1619 |
1627 |
1.005 |
168 |
657 |
|
|
3 |
A1 |
1363 |
1400 |
1.027 |
168 |
658 |
|
|
4 |
A1 |
587 |
603 |
1.026 |
168 |
659 |
|
|
5 |
A1 |
298 |
299 |
1.002 |
168 |
660 |
|
|
6 |
A2 |
662 |
686 |
1.036 |
168 |
661 |
|
|
7 |
B1 |
821 |
875 |
1.065 |
168 |
662 |
|
|
8 |
B1 |
462 |
460 |
0.996 |
168 |
663 |
|
|
9 |
B2 |
3199 |
3130 |
0.978 |
168 |
664 |
|
|
10 |
B2 |
1061 |
1095 |
1.032 |
168 |
665 |
|
|
11 |
B2 |
745 |
800 |
1.074 |
168 |
666 |
|
|
12 |
B2 |
372 |
372 |
0.999 |
168 |
667 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3153 |
3077 |
0.976 |
169 |
668 |
|
|
2 |
A1 |
1611 |
1587 |
0.985 |
169 |
669 |
|
|
3 |
A1 |
1190 |
1179 |
0.991 |
169 |
670 |
|
|
4 |
A1 |
700 |
711 |
1.016 |
169 |
671 |
|
|
5 |
A1 |
163 |
173 |
1.062 |
169 |
672 |
|
|
6 |
A2 |
842 |
876 |
1.041 |
169 |
673 |
|
|
7 |
A2 |
406 |
406 |
0.999 |
169 |
674 |
|
|
8 |
B1 |
678 |
697 |
1.028 |
169 |
675 |
|
|
9 |
B2 |
3133 |
3072 |
0.981 |
169 |
676 |
|
|
10 |
B2 |
1285 |
1303 |
1.014 |
169 |
677 |
|
|
11 |
B2 |
837 |
857 |
1.024 |
169 |
678 |
|
|
12 |
B2 |
565 |
571 |
1.011 |
169 |
679 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3154 |
3073 |
0.974 |
170 |
680 |
|
|
2 |
Ag |
1604 |
1578 |
0.984 |
170 |
681 |
|
|
3 |
Ag |
1272 |
1274 |
1.002 |
170 |
682 |
|
|
4 |
Ag |
833 |
846 |
1.016 |
170 |
683 |
|
|
5 |
Ag |
344 |
350 |
1.018 |
170 |
684 |
|
|
6 |
Au |
886 |
900 |
1.016 |
170 |
685 |
|
|
7 |
Au |
206 |
227 |
1.102 |
170 |
686 |
|
|
8 |
Bg |
733 |
763 |
1.041 |
170 |
687 |
|
|
9 |
Bu |
3152 |
3090 |
0.980 |
170 |
688 |
|
|
10 |
Bu |
1197 |
1200 |
1.003 |
170 |
689 |
|
|
11 |
Bu |
802 |
828 |
1.032 |
170 |
690 |
|
|
12 |
Bu |
231 |
250 |
1.081 |
170 |
691 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3160 |
3082 |
0.975 |
171 |
692 |
|
|
2 |
A' |
1597 |
1586 |
0.993 |
171 |
693 |
|
|
3 |
A' |
1242 |
1247 |
1.004 |
171 |
694 |
|
|
4 |
A' |
891 |
931 |
1.044 |
171 |
695 |
|
|
5 |
A' |
819 |
840 |
1.026 |
171 |
696 |
|
|
6 |
A' |
616 |
630 |
1.023 |
171 |
697 |
|
|
7 |
A' |
379 |
384 |
1.014 |
171 |
698 |
|
|
8 |
A' |
275 |
277 |
1.007 |
171 |
699 |
|
|
9 |
A' |
169 |
178 |
1.055 |
171 |
700 |
|
|
10 |
A" |
750 |
780 |
1.040 |
171 |
701 |
|
|
11 |
A" |
454 |
451 |
0.994 |
171 |
702 |
|
|
12 |
A" |
197 |
215 |
1.089 |
171 |
703 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1110 |
1122 |
1.011 |
172 |
704 |
|
|
2 |
A1 |
397 |
401 |
1.011 |
172 |
705 |
|
|
3 |
A1 |
169 |
176 |
1.039 |
172 |
706 |
|
|
5 |
B2 |
713 |
728 |
1.021 |
172 |
707 |
|
|
6 |
B2 |
287 |
289 |
1.008 |
172 |
708 |
|
|
7 |
E |
893 |
917 |
1.027 |
172 |
709 |
|
|
8 |
E |
476 |
512 |
1.076 |
172 |
710 |
|
|
9 |
E |
93 |
104 |
1.114 |
172 |
711 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1568 |
1571 |
1.002 |
173 |
712 |
|
|
2 |
Ag |
442 |
447 |
1.012 |
173 |
713 |
|
|
3 |
Ag |
239 |
237 |
0.990 |
173 |
714 |
|
|
4 |
Au |
93 |
110 |
1.183 |
173 |
715 |
|
|
5 |
B1u |
757 |
777 |
1.026 |
173 |
716 |
|
|
6 |
B1u |
315 |
310 |
0.985 |
173 |
717 |
|
|
7 |
B2g |
510 |
512 |
1.003 |
173 |
718 |
|
|
8 |
B2u |
865 |
908 |
1.050 |
173 |
719 |
|
|
9 |
B2u |
178 |
176 |
0.991 |
173 |
720 |
|
|
10 |
B3g |
937 |
1000 |
1.067 |
173 |
721 |
|
|
11 |
B3g |
336 |
347 |
1.033 |
173 |
722 |
|
|
12 |
B3u |
287 |
288 |
1.004 |
173 |
723 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
348 |
394 |
1.134 |
174 |
724 |
|
|
2 |
A1' |
250 |
264 |
1.058 |
174 |
725 |
|
|
3 |
A2" |
401 |
465 |
1.158 |
174 |
726 |
|
|
4 |
A2" |
281 |
299 |
1.066 |
174 |
727 |
|
|
5 |
E' |
509 |
592 |
1.163 |
174 |
728 |
|
|
7 |
E' |
252 |
273 |
1.085 |
174 |
729 |
|
|
8 |
E' |
80 |
100 |
1.247 |
174 |
730 |
|
|
9 |
E" |
243 |
282 |
1.159 |
174 |
731 |
CH3CCH |
propyne |
1 |
A1 |
3401 |
3334 |
0.980 |
175 |
732 |
|
|
2 |
A1 |
2965 |
2918 |
0.984 |
175 |
733 |
|
|
3 |
A1 |
2171 |
2124 |
0.978 |
175 |
734 |
|
|
4 |
A1 |
1379 |
1382 |
1.002 |
175 |
735 |
|
|
5 |
A1 |
940 |
931 |
0.990 |
175 |
736 |
|
|
6 |
E |
3027 |
3008 |
0.994 |
175 |
737 |
|
|
7 |
E |
1447 |
1452 |
1.003 |
175 |
738 |
|
|
8 |
E |
1024 |
1053 |
1.029 |
175 |
739 |
|
|
9 |
E |
561 |
633 |
1.128 |
175 |
740 |
|
|
10 |
E |
307 |
328 |
1.067 |
175 |
741 |
CH2CCH2 |
allene |
1 |
A1 |
3056 |
3015 |
0.987 |
176 |
742 |
|
|
2 |
A1 |
1439 |
1443 |
1.003 |
176 |
743 |
|
|
3 |
A1 |
1087 |
1073 |
0.987 |
176 |
744 |
|
|
4 |
B1 |
865 |
865 |
1.000 |
176 |
745 |
|
|
5 |
B2 |
3052 |
3007 |
0.985 |
176 |
746 |
|
|
6 |
B2 |
2011 |
1957 |
0.973 |
176 |
747 |
|
|
7 |
B2 |
1384 |
1398 |
1.010 |
176 |
748 |
|
|
8 |
E |
3125 |
3086 |
0.988 |
176 |
749 |
|
|
9 |
E |
989 |
999 |
1.011 |
176 |
750 |
|
|
10 |
E |
806 |
841 |
1.044 |
176 |
751 |
|
|
11 |
E |
355 |
355 |
0.999 |
176 |
752 |
C3H4 |
cyclopropene |
1 |
A1 |
3213 |
3158 |
0.983 |
177 |
753 |
|
|
2 |
A1 |
2964 |
2909 |
0.981 |
177 |
754 |
|
|
3 |
A1 |
1692 |
1653 |
0.977 |
177 |
755 |
|
|
4 |
A1 |
1485 |
1483 |
0.999 |
177 |
756 |
|
|
5 |
A1 |
1143 |
1110 |
0.971 |
177 |
757 |
|
|
6 |
A1 |
889 |
905 |
1.017 |
177 |
758 |
|
|
7 |
A2 |
992 |
996 |
1.004 |
177 |
759 |
|
|
8 |
A2 |
806 |
820 |
1.018 |
177 |
760 |
|
|
9 |
B1 |
3027 |
2995 |
0.990 |
177 |
761 |
|
|
10 |
B1 |
1086 |
1088 |
1.001 |
177 |
762 |
|
|
11 |
B1 |
563 |
569 |
1.010 |
177 |
763 |
|
|
12 |
B2 |
3167 |
3124 |
0.987 |
177 |
764 |
|
|
13 |
B2 |
1027 |
1043 |
1.015 |
177 |
765 |
|
|
14 |
B2 |
983 |
1011 |
1.029 |
177 |
766 |
|
|
15 |
B2 |
773 |
769 |
0.994 |
177 |
767 |
CH3NH2 |
methyl amine |
1 |
A' |
3398 |
3361 |
0.989 |
178 |
768 |
|
|
2 |
A' |
2993 |
2961 |
0.989 |
178 |
769 |
|
|
3 |
A' |
2872 |
2820 |
0.982 |
178 |
770 |
|
|
4 |
A' |
1676 |
1623 |
0.968 |
178 |
771 |
|
|
5 |
A' |
1466 |
1473 |
1.005 |
178 |
772 |
|
|
6 |
A' |
1424 |
1430 |
1.004 |
178 |
773 |
|
|
7 |
A' |
1151 |
1130 |
0.982 |
178 |
774 |
|
|
8 |
A' |
1046 |
1044 |
0.998 |
178 |
775 |
|
|
9 |
A' |
850 |
780 |
0.918 |
178 |
776 |
|
|
10 |
A" |
3477 |
3427 |
0.986 |
178 |
777 |
|
|
11 |
A" |
3033 |
2985 |
0.984 |
178 |
778 |
|
|
12 |
A" |
1490 |
1485 |
0.997 |
178 |
779 |
|
|
13 |
A" |
1332 |
1335 |
1.002 |
178 |
780 |
|
|
14 |
A" |
964 |
|
|
178 |
781 |
|
|
15 |
A" |
327 |
268 |
0.819 |
178 |
782 |
C3H3N |
acrylonitrile |
1 |
A' |
3184 |
3125 |
0.981 |
179 |
783 |
|
|
2 |
A' |
3099 |
3078 |
0.993 |
179 |
784 |
|
|
3 |
A' |
3089 |
3042 |
0.985 |
179 |
785 |
|
|
4 |
A' |
2251 |
2239 |
0.995 |
179 |
786 |
|
|
5 |
A' |
1632 |
1615 |
0.990 |
179 |
787 |
|
|
6 |
A' |
1406 |
1416 |
1.007 |
179 |
788 |
|
|
7 |
A' |
1284 |
1282 |
0.998 |
179 |
789 |
|
|
8 |
A' |
1084 |
1096 |
1.011 |
179 |
790 |
|
|
9 |
A' |
872 |
869 |
0.997 |
179 |
791 |
|
|
10 |
A' |
567 |
570 |
1.005 |
179 |
792 |
|
|
11 |
A' |
231 |
242 |
1.049 |
179 |
793 |
|
|
12 |
A" |
967 |
972 |
1.005 |
179 |
794 |
|
|
13 |
A" |
925 |
954 |
1.031 |
179 |
795 |
|
|
14 |
A" |
689 |
683 |
0.991 |
179 |
796 |
|
|
15 |
A" |
342 |
362 |
1.058 |
179 |
797 |
C3H2N2 |
Malononitrile |
1 |
A1 |
2979 |
2935 |
0.985 |
180 |
798 |
|
|
2 |
A1 |
2297 |
2275 |
0.990 |
180 |
799 |
|
|
3 |
A1 |
1407 |
1395 |
0.992 |
180 |
800 |
|
|
4 |
A1 |
887 |
890 |
1.004 |
180 |
801 |
|
|
5 |
A1 |
572 |
582 |
1.017 |
180 |
802 |
|
|
6 |
A1 |
142 |
167 |
1.175 |
180 |
803 |
|
|
7 |
A2 |
1220 |
1220 |
1.000 |
180 |
804 |
|
|
8 |
A2 |
366 |
367 |
1.003 |
180 |
805 |
|
|
9 |
B1 |
3014 |
2968 |
0.985 |
180 |
806 |
|
|
10 |
B1 |
905 |
933 |
1.031 |
180 |
807 |
|
|
11 |
B1 |
333 |
337 |
1.012 |
180 |
808 |
|
|
12 |
B2 |
2291 |
2275 |
0.993 |
180 |
809 |
|
|
13 |
B2 |
1304 |
1318 |
1.011 |
180 |
810 |
|
|
14 |
B2 |
974 |
982 |
1.009 |
180 |
811 |
|
|
15 |
B2 |
366 |
366 |
1.000 |
180 |
812 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3566 |
3447 |
0.967 |
181 |
813 |
|
|
2 |
A' |
3211 |
3102 |
0.966 |
181 |
814 |
|
|
3 |
A' |
1459 |
1441 |
0.988 |
181 |
815 |
|
|
4 |
A' |
1415 |
1384 |
0.978 |
181 |
816 |
|
|
5 |
A' |
1234 |
1259 |
1.020 |
181 |
817 |
|
|
6 |
A' |
1216 |
1159 |
0.953 |
181 |
818 |
|
|
7 |
A' |
1113 |
1084 |
0.974 |
181 |
819 |
|
|
8 |
A' |
1027 |
1015 |
0.988 |
181 |
820 |
|
|
9 |
A' |
999 |
1002 |
1.003 |
181 |
821 |
|
|
10 |
A' |
975 |
969 |
0.993 |
181 |
822 |
|
|
11 |
A' |
925 |
925 |
1.000 |
181 |
823 |
|
|
12 |
A" |
803 |
906 |
1.129 |
181 |
824 |
|
|
13 |
A" |
719 |
663 |
0.922 |
181 |
825 |
|
|
14 |
A" |
678 |
658 |
0.971 |
181 |
826 |
|
|
15 |
A" |
581 |
578 |
0.994 |
181 |
827 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3083 |
3014 |
0.978 |
182 |
828 |
|
|
2 |
A' |
2962 |
2923 |
0.987 |
182 |
829 |
|
|
3 |
A' |
2766 |
2716 |
0.982 |
182 |
830 |
|
|
4 |
A' |
1774 |
1743 |
0.982 |
182 |
831 |
|
|
5 |
A' |
1427 |
1433 |
1.004 |
182 |
832 |
|
|
6 |
A' |
1388 |
1395 |
1.005 |
182 |
833 |
|
|
7 |
A' |
1333 |
1352 |
1.015 |
182 |
834 |
|
|
8 |
A' |
1098 |
1114 |
1.015 |
182 |
835 |
|
|
9 |
A' |
863 |
867 |
1.004 |
182 |
836 |
|
|
10 |
A' |
493 |
509 |
1.033 |
182 |
837 |
|
|
11 |
A" |
3022 |
2964 |
0.981 |
182 |
838 |
|
|
12 |
A" |
1434 |
1431 |
0.998 |
182 |
839 |
|
|
13 |
A" |
1093 |
1102 |
1.008 |
182 |
840 |
|
|
14 |
A" |
745 |
764 |
1.026 |
182 |
841 |
|
|
15 |
A" |
157 |
150 |
0.957 |
182 |
842 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3011 |
3006 |
0.998 |
183 |
843 |
|
|
2 |
A1 |
1504 |
1467 |
0.975 |
183 |
844 |
|
|
3 |
A1 |
1278 |
1267 |
0.992 |
183 |
845 |
|
|
4 |
A1 |
1102 |
1146 |
1.040 |
183 |
846 |
|
|
5 |
A1 |
884 |
857 |
0.969 |
183 |
847 |
|
|
6 |
A2 |
3082 |
3063 |
0.994 |
183 |
848 |
|
|
7 |
A2 |
1145 |
1050 |
0.917 |
183 |
849 |
|
|
8 |
A2 |
1010 |
1020 |
1.010 |
183 |
850 |
|
|
9 |
B1 |
3098 |
3065 |
0.989 |
183 |
851 |
|
|
10 |
B1 |
1138 |
1146 |
1.007 |
183 |
852 |
|
|
11 |
B1 |
797 |
797 |
1.000 |
183 |
853 |
|
|
12 |
B2 |
3003 |
3006 |
1.001 |
183 |
854 |
|
|
13 |
B2 |
1466 |
1459 |
0.995 |
183 |
855 |
|
|
14 |
B2 |
1085 |
1159 |
1.068 |
183 |
856 |
|
|
15 |
B2 |
828 |
824 |
0.995 |
183 |
857 |
H2SO4 |
Sulfuric acid |
1 |
A |
3619 |
3563 |
0.984 |
184 |
858 |
|
|
2 |
A |
1147 |
1216 |
1.060 |
184 |
859 |
|
|
3 |
A |
1121 |
1136 |
1.014 |
184 |
860 |
|
|
4 |
A |
725 |
831 |
1.148 |
184 |
861 |
|
|
5 |
A |
485 |
548 |
1.131 |
184 |
862 |
|
|
6 |
A |
424 |
422 |
0.995 |
184 |
863 |
|
|
7 |
A |
345 |
379 |
1.097 |
184 |
864 |
|
|
8 |
A |
258 |
224 |
0.868 |
184 |
865 |
|
|
9 |
B |
3616 |
3567 |
0.986 |
184 |
866 |
|
|
10 |
B |
1397 |
1452 |
1.040 |
184 |
867 |
|
|
11 |
B |
1136 |
1157 |
1.019 |
184 |
868 |
|
|
12 |
B |
788 |
882 |
1.119 |
184 |
869 |
|
|
13 |
B |
492 |
558 |
1.135 |
184 |
870 |
|
|
14 |
B |
449 |
506 |
1.128 |
184 |
871 |
|
|
15 |
B |
323 |
288 |
0.890 |
184 |
872 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3109 |
3043 |
0.979 |
185 |
873 |
|
|
2 |
A' |
2996 |
2955 |
0.986 |
185 |
874 |
|
|
3 |
A' |
1873 |
1870 |
0.998 |
185 |
875 |
|
|
4 |
A' |
1439 |
1440 |
1.001 |
185 |
876 |
|
|
5 |
A' |
1360 |
1378 |
1.013 |
185 |
877 |
|
|
6 |
A' |
1161 |
1188 |
1.023 |
185 |
878 |
|
|
7 |
A' |
973 |
1000 |
1.027 |
185 |
879 |
|
|
8 |
A' |
805 |
826 |
1.026 |
185 |
880 |
|
|
9 |
A' |
579 |
598 |
1.032 |
185 |
881 |
|
|
10 |
A' |
400 |
420 |
1.051 |
185 |
882 |
|
|
11 |
A" |
3059 |
3004 |
0.982 |
185 |
883 |
|
|
12 |
A" |
1440 |
1437 |
0.998 |
185 |
884 |
|
|
13 |
A" |
1035 |
1054 |
1.018 |
185 |
885 |
|
|
14 |
A" |
550 |
567 |
1.031 |
185 |
886 |
|
|
15 |
A" |
136 |
123 |
0.906 |
185 |
887 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
655 |
774 |
1.181 |
186 |
888 |
|
|
2 |
Eg |
573 |
642 |
1.119 |
186 |
889 |
|
|
3 |
T1u |
851 |
948 |
1.114 |
186 |
890 |
|
|
4 |
T1u |
531 |
616 |
1.160 |
186 |
891 |
|
|
5 |
T2g |
448 |
525 |
1.172 |
186 |
892 |
|
|
6 |
T2u |
299 |
347 |
1.161 |
186 |
893 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3096 |
3027 |
0.978 |
187 |
894 |
|
|
2 |
A' |
2995 |
2948 |
0.984 |
187 |
895 |
|
|
3 |
A' |
1864 |
1818 |
0.975 |
187 |
896 |
|
|
4 |
A' |
1431 |
1415 |
0.989 |
187 |
897 |
|
|
5 |
A' |
1350 |
1368 |
1.013 |
187 |
898 |
|
|
6 |
A' |
1082 |
1108 |
1.024 |
187 |
899 |
|
|
7 |
A' |
937 |
956 |
1.020 |
187 |
900 |
|
|
8 |
A' |
579 |
604 |
1.043 |
187 |
901 |
|
|
9 |
A' |
409 |
445 |
1.088 |
187 |
902 |
|
|
10 |
A' |
332 |
348 |
1.050 |
187 |
903 |
|
|
11 |
A" |
3068 |
2990 |
0.975 |
187 |
904 |
|
|
12 |
A" |
1431 |
1431 |
1.000 |
187 |
905 |
|
|
13 |
A" |
1015 |
1032 |
1.017 |
187 |
906 |
|
|
14 |
A" |
501 |
518 |
1.033 |
187 |
907 |
|
|
15 |
A" |
134 |
166 |
1.236 |
187 |
908 |
C2H6 |
Ethane |
1 |
A1g |
2969 |
2954 |
0.995 |
188 |
909 |
|
|
2 |
A1g |
1389 |
1388 |
1.000 |
188 |
910 |
|
|
3 |
A1g |
996 |
995 |
0.999 |
188 |
911 |
|
|
4 |
A1u |
304 |
289 |
0.950 |
188 |
912 |
|
|
5 |
A2u |
2970 |
2896 |
0.975 |
188 |
913 |
|
|
6 |
A2u |
1371 |
1379 |
1.006 |
188 |
914 |
|
|
7 |
Eg |
3021 |
2969 |
0.983 |
188 |
915 |
|
|
8 |
Eg |
1476 |
1468 |
0.995 |
188 |
916 |
|
|
9 |
Eg |
1186 |
1190 |
1.004 |
188 |
917 |
|
|
10 |
Eu |
3047 |
2985 |
0.980 |
188 |
918 |
|
|
11 |
Eu |
1477 |
1469 |
0.994 |
188 |
919 |
|
|
12 |
Eu |
806 |
822 |
1.020 |
188 |
920 |
Si2H6 |
disilane |
1 |
A1g |
2150 |
2152 |
1.001 |
189 |
921 |
|
|
2 |
A1g |
880 |
909 |
1.033 |
189 |
922 |
|
|
3 |
A1g |
416 |
434 |
1.043 |
189 |
923 |
|
|
4 |
A1u |
143 |
131 |
0.916 |
189 |
924 |
|
|
5 |
A2u |
2143 |
2154 |
1.005 |
189 |
925 |
|
|
6 |
A2u |
809 |
844 |
1.043 |
189 |
926 |
|
|
7 |
Eg |
2155 |
2155 |
1.000 |
189 |
927 |
|
|
8 |
Eg |
903 |
929 |
1.029 |
189 |
928 |
|
|
9 |
Eg |
611 |
625 |
1.023 |
189 |
929 |
|
|
10 |
Eu |
2165 |
2179 |
1.006 |
189 |
930 |
|
|
11 |
Eu |
917 |
940 |
1.025 |
189 |
931 |
|
|
12 |
Eu |
363 |
379 |
1.046 |
189 |
932 |
C2H5N |
Aziridine |
1 |
A' |
3395 |
3338 |
0.983 |
190 |
933 |
|
|
2 |
A' |
3124 |
3079 |
0.986 |
190 |
934 |
|
|
3 |
A' |
3037 |
3015 |
0.993 |
190 |
935 |
|
|
4 |
A' |
1490 |
1482 |
0.995 |
190 |
936 |
|
|
5 |
A' |
1284 |
1237 |
0.964 |
190 |
937 |
|
|
6 |
A' |
1217 |
1211 |
0.995 |
190 |
938 |
|
|
7 |
A' |
1079 |
1090 |
1.010 |
190 |
939 |
|
|
8 |
A' |
981 |
998 |
1.017 |
190 |
940 |
|
|
9 |
A' |
864 |
856 |
0.991 |
190 |
941 |
|
|
10 |
A' |
753 |
773 |
1.027 |
190 |
942 |
|
|
11 |
A" |
3110 |
3079 |
0.990 |
190 |
943 |
|
|
12 |
A" |
3031 |
3015 |
0.995 |
190 |
944 |
|
|
13 |
A" |
1460 |
1463 |
1.002 |
190 |
945 |
|
|
14 |
A" |
1249 |
1268 |
1.015 |
190 |
946 |
|
|
15 |
A" |
1118 |
1131 |
1.012 |
190 |
947 |
|
|
16 |
A" |
1054 |
1095 |
1.039 |
190 |
948 |
|
|
17 |
A" |
898 |
904 |
1.006 |
190 |
949 |
|
|
18 |
A" |
851 |
817 |
0.960 |
190 |
950 |
CH3COOH |
Acetic acid |
1 |
A' |
3596 |
3583 |
0.997 |
191 |
951 |
|
|
2 |
A' |
3111 |
3051 |
0.981 |
191 |
952 |
|
|
3 |
A' |
2995 |
2944 |
0.983 |
191 |
953 |
|
|
4 |
A' |
1786 |
1788 |
1.001 |
191 |
954 |
|
|
5 |
A' |
1442 |
1430 |
0.992 |
191 |
955 |
|
|
6 |
A' |
1369 |
1382 |
1.010 |
191 |
956 |
|
|
7 |
A' |
1311 |
1264 |
0.964 |
191 |
957 |
|
|
8 |
A' |
1180 |
1182 |
1.002 |
191 |
958 |
|
|
9 |
A' |
964 |
989 |
1.026 |
191 |
959 |
|
|
10 |
A' |
844 |
847 |
1.003 |
191 |
960 |
|
|
11 |
A' |
570 |
657 |
1.153 |
191 |
961 |
|
|
12 |
A' |
409 |
|
|
191 |
962 |
|
|
13 |
A" |
3059 |
2996 |
0.979 |
191 |
963 |
|
|
14 |
A" |
1443 |
1430 |
0.991 |
191 |
964 |
|
|
15 |
A" |
1034 |
1048 |
1.013 |
191 |
965 |
|
|
16 |
A" |
692 |
642 |
0.928 |
191 |
966 |
|
|
17 |
A" |
535 |
534 |
0.998 |
191 |
967 |
|
|
18 |
A" |
58 |
93 |
1.604 |
191 |
968 |
CH3OCHO |
methyl formate |
1 |
A' |
3110 |
3045 |
0.979 |
192 |
969 |
|
|
2 |
A' |
2991 |
2969 |
0.993 |
192 |
970 |
|
|
3 |
A' |
2957 |
2943 |
0.995 |
192 |
971 |
|
|
4 |
A' |
1764 |
1754 |
0.994 |
192 |
972 |
|
|
5 |
A' |
1466 |
1454 |
0.992 |
192 |
973 |
|
|
6 |
A' |
1425 |
1445 |
1.014 |
192 |
974 |
|
|
7 |
A' |
1353 |
1371 |
1.013 |
192 |
975 |
|
|
8 |
A' |
1185 |
1207 |
1.019 |
192 |
976 |
|
|
9 |
A' |
1137 |
1166 |
1.026 |
192 |
977 |
|
|
10 |
A' |
911 |
925 |
1.015 |
192 |
978 |
|
|
11 |
A' |
758 |
767 |
1.012 |
192 |
979 |
|
|
12 |
A' |
292 |
318 |
1.089 |
192 |
980 |
|
|
13 |
A" |
3066 |
3012 |
0.982 |
192 |
981 |
|
|
14 |
A" |
1451 |
1443 |
0.995 |
192 |
982 |
|
|
15 |
A" |
1141 |
1168 |
1.023 |
192 |
983 |
|
|
16 |
A" |
979 |
1032 |
1.054 |
192 |
984 |
|
|
17 |
A" |
351 |
332 |
0.946 |
192 |
985 |
|
|
18 |
A" |
106 |
130 |
1.221 |
192 |
986 |
C3H3NO |
Isoxazole |
1 |
A' |
3212 |
3160 |
0.984 |
193 |
987 |
|
|
2 |
A' |
3189 |
3128 |
0.981 |
193 |
988 |
|
|
3 |
A' |
3166 |
3086 |
0.975 |
193 |
989 |
|
|
4 |
A' |
1552 |
1561 |
1.006 |
193 |
990 |
|
|
5 |
A' |
1429 |
1433 |
1.003 |
193 |
991 |
|
|
6 |
A' |
1360 |
1371 |
1.008 |
193 |
992 |
|
|
7 |
A' |
1205 |
1218 |
1.011 |
193 |
993 |
|
|
8 |
A' |
1112 |
1130 |
1.016 |
193 |
994 |
|
|
9 |
A' |
1095 |
1096 |
1.001 |
193 |
995 |
|
|
10 |
A' |
1020 |
1024 |
1.005 |
193 |
996 |
|
|
11 |
A' |
905 |
920 |
1.016 |
193 |
997 |
|
|
12 |
A' |
891 |
900 |
1.010 |
193 |
998 |
|
|
13 |
A' |
833 |
857 |
1.029 |
193 |
999 |
|
|
14 |
A" |
852 |
890 |
1.044 |
193 |
1000 |
|
|
15 |
A" |
813 |
866 |
1.065 |
193 |
1001 |
|
|
16 |
A" |
748 |
765 |
1.023 |
193 |
1002 |
|
|
17 |
A" |
630 |
631 |
1.001 |
193 |
1003 |
|
|
18 |
A" |
594 |
592 |
0.996 |
193 |
1004 |
C3H3NO |
Oxazole |
1 |
A' |
3226 |
3170 |
0.983 |
194 |
1005 |
|
|
2 |
A' |
3206 |
3144 |
0.981 |
194 |
1006 |
|
|
3 |
A' |
3186 |
3141 |
0.986 |
194 |
1007 |
|
|
4 |
A' |
1528 |
1537 |
1.006 |
194 |
1008 |
|
|
5 |
A' |
1488 |
1504 |
1.011 |
194 |
1009 |
|
|
6 |
A' |
1319 |
1324 |
1.004 |
194 |
1010 |
|
|
7 |
A' |
1230 |
1252 |
1.018 |
194 |
1011 |
|
|
8 |
A' |
1125 |
1139 |
1.012 |
194 |
1012 |
|
|
9 |
A' |
1109 |
1086 |
0.980 |
194 |
1013 |
|
|
10 |
A' |
1057 |
1078 |
1.020 |
194 |
1014 |
|
|
11 |
A' |
1048 |
1046 |
0.998 |
194 |
1015 |
|
|
12 |
A' |
898 |
899 |
1.001 |
194 |
1016 |
|
|
13 |
A' |
888 |
854 |
0.962 |
194 |
1017 |
|
|
14 |
A" |
821 |
907 |
1.104 |
194 |
1018 |
|
|
15 |
A" |
778 |
830 |
1.066 |
194 |
1019 |
|
|
16 |
A" |
714 |
750 |
1.050 |
194 |
1020 |
|
|
17 |
A" |
651 |
647 |
0.994 |
194 |
1021 |
|
|
18 |
A" |
613 |
607 |
0.990 |
194 |
1022 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3008 |
2974 |
0.989 |
195 |
1023 |
|
|
2 |
A1 |
1392 |
1412 |
1.015 |
195 |
1024 |
|
|
3 |
A1 |
1243 |
1278 |
1.029 |
195 |
1025 |
|
|
4 |
A1 |
804 |
828 |
1.030 |
195 |
1026 |
|
|
5 |
A1 |
578 |
606 |
1.048 |
195 |
1027 |
|
|
6 |
A2 |
243 |
225 |
0.925 |
195 |
1028 |
|
|
7 |
E |
3094 |
3042 |
0.983 |
195 |
1029 |
|
|
8 |
E |
1452 |
1450 |
0.999 |
195 |
1030 |
|
|
9 |
E |
1191 |
1230 |
1.033 |
195 |
1031 |
|
|
10 |
E |
932 |
964 |
1.034 |
195 |
1032 |
|
|
11 |
E |
517 |
540 |
1.045 |
195 |
1033 |
|
|
12 |
E |
350 |
365 |
1.044 |
195 |
1034 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1339 |
1420 |
1.060 |
196 |
1035 |
|
|
2 |
A1g |
771 |
809 |
1.049 |
196 |
1036 |
|
|
3 |
A1g |
332 |
349 |
1.052 |
196 |
1037 |
|
|
4 |
A1u |
51 |
68 |
1.334 |
196 |
1038 |
|
|
5 |
A2u |
1068 |
1117 |
1.045 |
196 |
1039 |
|
|
6 |
A2u |
681 |
714 |
1.048 |
196 |
1040 |
|
|
7 |
Eg |
1165 |
1237 |
1.062 |
196 |
1041 |
|
|
8 |
Eg |
586 |
620 |
1.058 |
196 |
1042 |
|
|
9 |
Eg |
360 |
380 |
1.057 |
196 |
1043 |
|
|
10 |
Eu |
1181 |
1251 |
1.059 |
196 |
1044 |
|
|
11 |
Eu |
497 |
523 |
1.051 |
196 |
1045 |
|
|
12 |
Eu |
203 |
216 |
1.063 |
196 |
1046 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3045 |
2967 |
0.974 |
197 |
1047 |
|
|
2 |
A' |
3017 |
2946 |
0.977 |
197 |
1048 |
|
|
3 |
A' |
2974 |
2881 |
0.969 |
197 |
1049 |
|
|
4 |
A' |
1471 |
1463 |
0.995 |
197 |
1050 |
|
|
5 |
A' |
1454 |
1448 |
0.996 |
197 |
1051 |
|
|
6 |
A' |
1378 |
1385 |
1.005 |
197 |
1052 |
|
|
7 |
A' |
1293 |
1289 |
0.997 |
197 |
1053 |
|
|
8 |
A' |
1071 |
1081 |
1.010 |
197 |
1054 |
|
|
9 |
A' |
964 |
974 |
1.010 |
197 |
1055 |
|
|
10 |
A' |
646 |
677 |
1.047 |
197 |
1056 |
|
|
11 |
A' |
323 |
336 |
1.041 |
197 |
1057 |
|
|
12 |
A" |
3082 |
3014 |
0.978 |
197 |
1058 |
|
|
13 |
A" |
3055 |
2986 |
0.977 |
197 |
1059 |
|
|
14 |
A" |
1453 |
1448 |
0.997 |
197 |
1060 |
|
|
15 |
A" |
1250 |
1251 |
1.001 |
197 |
1061 |
|
|
16 |
A" |
1058 |
974 |
0.920 |
197 |
1062 |
|
|
17 |
A" |
773 |
786 |
1.017 |
197 |
1063 |
|
|
18 |
A" |
263 |
251 |
0.953 |
197 |
1064 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3029 |
2957 |
0.976 |
198 |
1065 |
|
|
1 |
A |
3069 |
3005 |
0.979 |
198 |
1066 |
|
|
2 |
A |
3015 |
2957 |
0.981 |
198 |
1067 |
|
|
2 |
Ag |
1452 |
1445 |
0.995 |
198 |
1068 |
|
|
3 |
Ag |
1311 |
1304 |
0.995 |
198 |
1069 |
|
|
3 |
A |
1430 |
1433 |
1.002 |
198 |
1070 |
|
|
4 |
A |
1318 |
1315 |
0.998 |
198 |
1071 |
|
|
4 |
Ag |
1051 |
1052 |
1.001 |
198 |
1072 |
|
|
5 |
Ag |
734 |
754 |
1.028 |
198 |
1073 |
|
|
5 |
A |
1210 |
1207 |
0.998 |
198 |
1074 |
|
|
6 |
A |
1032 |
1027 |
0.995 |
198 |
1075 |
|
|
6 |
Ag |
291 |
300 |
1.030 |
198 |
1076 |
|
|
7 |
Au |
3109 |
3005 |
0.967 |
198 |
1077 |
|
|
7 |
A |
934 |
948 |
1.015 |
198 |
1078 |
|
|
8 |
A |
644 |
669 |
1.039 |
198 |
1079 |
|
|
8 |
Au |
1131 |
1123 |
0.993 |
198 |
1080 |
|
|
9 |
Au |
766 |
773 |
1.010 |
198 |
1081 |
|
|
9 |
A |
255 |
272 |
1.066 |
198 |
1082 |
|
|
10 |
A |
115 |
125 |
1.090 |
198 |
1083 |
|
|
10 |
Au |
121 |
123 |
1.015 |
198 |
1084 |
|
|
11 |
Bg |
3085 |
3005 |
0.974 |
198 |
1085 |
|
|
11 |
B |
3084 |
3005 |
0.975 |
198 |
1086 |
|
|
12 |
B |
3006 |
2957 |
0.984 |
198 |
1087 |
|
|
12 |
Bg |
1274 |
1264 |
0.992 |
198 |
1088 |
|
|
13 |
Bg |
994 |
989 |
0.995 |
198 |
1089 |
|
|
13 |
B |
1425 |
1436 |
1.008 |
198 |
1090 |
|
|
14 |
B |
1294 |
1292 |
0.999 |
198 |
1091 |
|
|
14 |
Bu |
3038 |
2983 |
0.982 |
198 |
1092 |
|
|
15 |
Bu |
1454 |
1461 |
1.005 |
198 |
1093 |
|
|
15 |
B |
1147 |
1146 |
0.999 |
198 |
1094 |
|
|
16 |
B |
875 |
890 |
1.017 |
198 |
1095 |
|
|
16 |
Bu |
1239 |
1232 |
0.994 |
198 |
1096 |
|
|
17 |
Bu |
695 |
728 |
1.047 |
198 |
1097 |
|
|
17 |
B |
664 |
693 |
1.043 |
198 |
1098 |
|
|
18 |
B |
399 |
410 |
1.027 |
198 |
1099 |
|
|
18 |
Bu |
207 |
222 |
1.075 |
198 |
1100 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
2997 |
2951 |
0.985 |
199 |
1101 |
|
|
2 |
A1 |
1380 |
1386 |
1.004 |
199 |
1102 |
|
|
3 |
A1 |
1060 |
1075 |
1.014 |
199 |
1103 |
|
|
4 |
A1 |
508 |
526 |
1.035 |
199 |
1104 |
|
|
5 |
A1 |
339 |
344 |
1.015 |
199 |
1105 |
|
|
6 |
A2 |
317 |
214 |
0.674 |
199 |
1106 |
|
|
7 |
E |
3084 |
3014 |
0.977 |
199 |
1107 |
|
|
8 |
E |
1442 |
1457 |
1.010 |
199 |
1108 |
|
|
9 |
E |
1072 |
1088 |
1.015 |
199 |
1109 |
|
|
10 |
E |
653 |
724 |
1.108 |
199 |
1110 |
|
|
11 |
E |
338 |
351 |
1.039 |
199 |
1111 |
|
|
12 |
E |
236 |
239 |
1.011 |
199 |
1112 |
C3H6 |
Cyclopropane |
1 |
A1' |
3067 |
3038 |
0.991 |
200 |
1113 |
|
|
2 |
A1' |
1482 |
1479 |
0.998 |
200 |
1114 |
|
|
3 |
A1' |
1203 |
1188 |
0.987 |
200 |
1115 |
|
|
4 |
A1" |
1120 |
1126 |
1.005 |
200 |
1116 |
|
|
5 |
A2' |
1030 |
1070 |
1.039 |
200 |
1117 |
|
|
6 |
A2" |
3157 |
3103 |
0.983 |
200 |
1118 |
|
|
7 |
A2" |
841 |
854 |
1.016 |
200 |
1119 |
|
|
8 |
E' |
3059 |
3025 |
0.989 |
200 |
1120 |
|
|
9 |
E' |
1433 |
1438 |
1.003 |
200 |
1121 |
|
|
10 |
E' |
1008 |
1029 |
1.021 |
200 |
1122 |
|
|
11 |
E' |
880 |
866 |
0.984 |
200 |
1123 |
|
|
12 |
E" |
3134 |
3082 |
0.983 |
200 |
1124 |
|
|
13 |
E" |
1182 |
1188 |
1.005 |
200 |
1125 |
|
|
14 |
E" |
722 |
739 |
1.023 |
200 |
1126 |
CH2CHCH3 |
Propene |
1 |
A' |
3144 |
3090 |
0.983 |
201 |
1127 |
|
|
2 |
A' |
3062 |
3013 |
0.984 |
201 |
1128 |
|
|
3 |
A' |
3055 |
2991 |
0.979 |
201 |
1129 |
|
|
4 |
A' |
3036 |
2954 |
0.973 |
201 |
1130 |
|
|
5 |
A' |
2954 |
2871 |
0.972 |
201 |
1131 |
|
|
6 |
A' |
1674 |
1650 |
0.986 |
201 |
1132 |
|
|
7 |
A' |
1463 |
1470 |
1.005 |
201 |
1133 |
|
|
8 |
A' |
1410 |
1420 |
1.007 |
201 |
1134 |
|
|
9 |
A' |
1370 |
1378 |
1.006 |
201 |
1135 |
|
|
10 |
A' |
1292 |
1297 |
1.004 |
201 |
1136 |
|
|
11 |
A' |
1163 |
1171 |
1.007 |
201 |
1137 |
|
|
12 |
A' |
922 |
963 |
1.045 |
201 |
1138 |
|
|
13 |
A' |
914 |
920 |
1.006 |
201 |
1139 |
|
|
14 |
A' |
414 |
428 |
1.034 |
201 |
1140 |
|
|
15 |
A" |
3003 |
2954 |
0.984 |
201 |
1141 |
|
|
16 |
A" |
1448 |
1443 |
0.996 |
201 |
1142 |
|
|
17 |
A" |
1034 |
1045 |
1.011 |
201 |
1143 |
|
|
18 |
A" |
992 |
991 |
0.999 |
201 |
1144 |
|
|
19 |
A" |
882 |
912 |
1.034 |
201 |
1145 |
|
|
20 |
A" |
569 |
578 |
1.016 |
201 |
1146 |
|
|
21 |
A" |
204 |
174 |
0.855 |
201 |
1147 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3588 |
3523 |
0.982 |
202 |
1148 |
|
|
2 |
A' |
3201 |
3155 |
0.986 |
202 |
1149 |
|
|
3 |
A' |
3182 |
3137 |
0.986 |
202 |
1150 |
|
|
4 |
A' |
3169 |
3126 |
0.987 |
202 |
1151 |
|
|
5 |
A' |
1527 |
1531 |
1.003 |
202 |
1152 |
|
|
6 |
A' |
1452 |
1447 |
0.996 |
202 |
1153 |
|
|
7 |
A' |
1400 |
1395 |
0.996 |
202 |
1154 |
|
|
8 |
A' |
1344 |
1358 |
1.011 |
202 |
1155 |
|
|
9 |
A' |
1247 |
1254 |
1.005 |
202 |
1156 |
|
|
10 |
A' |
1156 |
1159 |
1.002 |
202 |
1157 |
|
|
11 |
A' |
1124 |
1121 |
0.998 |
202 |
1158 |
|
|
12 |
A' |
1031 |
1054 |
1.022 |
202 |
1159 |
|
|
13 |
A' |
1022 |
1009 |
0.987 |
202 |
1160 |
|
|
14 |
A' |
914 |
924 |
1.011 |
202 |
1161 |
|
|
15 |
A' |
895 |
908 |
1.014 |
202 |
1162 |
|
|
16 |
A" |
840 |
879 |
1.046 |
202 |
1163 |
|
|
17 |
A" |
787 |
833 |
1.058 |
202 |
1164 |
|
|
18 |
A" |
710 |
745 |
1.050 |
202 |
1165 |
|
|
19 |
A" |
677 |
674 |
0.996 |
202 |
1166 |
|
|
20 |
A" |
621 |
623 |
1.003 |
202 |
1167 |
|
|
21 |
A" |
504 |
516 |
1.025 |
202 |
1168 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3564 |
3517 |
0.987 |
203 |
1169 |
|
|
2 |
A' |
3201 |
3143 |
0.982 |
203 |
1170 |
|
|
3 |
A' |
3176 |
3123 |
0.983 |
203 |
1171 |
|
|
4 |
A' |
3169 |
3110 |
0.981 |
203 |
1172 |
|
|
5 |
A' |
1515 |
1448 |
0.956 |
203 |
1173 |
|
|
6 |
A' |
1465 |
1404 |
0.959 |
203 |
1174 |
|
|
7 |
A' |
1405 |
1328 |
0.945 |
203 |
1175 |
|
|
8 |
A' |
1335 |
1265 |
0.948 |
203 |
1176 |
|
|
9 |
A' |
1240 |
1188 |
0.958 |
203 |
1177 |
|
|
10 |
A' |
1151 |
1098 |
0.954 |
203 |
1178 |
|
|
11 |
A' |
1118 |
1062 |
0.950 |
203 |
1179 |
|
|
12 |
A' |
1073 |
1013 |
0.944 |
203 |
1180 |
|
|
13 |
A' |
1050 |
988 |
0.941 |
203 |
1181 |
|
|
14 |
A' |
918 |
923 |
1.006 |
203 |
1182 |
|
|
15 |
A' |
876 |
898 |
1.025 |
203 |
1183 |
|
|
16 |
A" |
809 |
831 |
1.027 |
203 |
1184 |
|
|
17 |
A" |
753 |
758 |
1.007 |
203 |
1185 |
|
|
18 |
A" |
676 |
674 |
0.997 |
203 |
1186 |
|
|
19 |
A" |
667 |
663 |
0.993 |
203 |
1187 |
|
|
20 |
A" |
631 |
621 |
0.984 |
203 |
1188 |
|
|
21 |
A" |
512 |
539 |
1.053 |
203 |
1189 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3055 |
2996 |
0.981 |
204 |
1190 |
|
|
2 |
A1 |
2895 |
2817 |
0.973 |
204 |
1191 |
|
|
3 |
A1 |
1488 |
1464 |
0.984 |
204 |
1192 |
|
|
4 |
A1 |
1453 |
1452 |
0.999 |
204 |
1193 |
|
|
5 |
A1 |
1235 |
1244 |
1.008 |
204 |
1194 |
|
|
6 |
A1 |
931 |
928 |
0.997 |
204 |
1195 |
|
|
7 |
A1 |
407 |
418 |
1.027 |
204 |
1196 |
|
|
8 |
A2 |
2930 |
2952 |
1.007 |
204 |
1197 |
|
|
9 |
A2 |
1443 |
1464 |
1.014 |
204 |
1198 |
|
|
10 |
A2 |
1133 |
1150 |
1.015 |
204 |
1199 |
|
|
11 |
A2 |
227 |
203 |
0.893 |
204 |
1200 |
|
|
12 |
B1 |
2924 |
2925 |
1.000 |
204 |
1201 |
|
|
13 |
B1 |
1453 |
1464 |
1.008 |
204 |
1202 |
|
|
14 |
B1 |
1164 |
1179 |
1.013 |
204 |
1203 |
|
|
15 |
B1 |
255 |
242 |
0.948 |
204 |
1204 |
|
|
16 |
B2 |
3053 |
2996 |
0.981 |
204 |
1205 |
|
|
17 |
B2 |
2879 |
2817 |
0.979 |
204 |
1206 |
|
|
18 |
B2 |
1465 |
1464 |
1.000 |
204 |
1207 |
|
|
19 |
B2 |
1424 |
1452 |
1.019 |
204 |
1208 |
|
|
20 |
B2 |
1165 |
1227 |
1.053 |
204 |
1209 |
|
|
21 |
B2 |
1100 |
1102 |
1.002 |
204 |
1210 |
C4H4O |
Furan |
1 |
A1 |
3214 |
3161 |
0.983 |
205 |
1211 |
|
|
2 |
A1 |
3184 |
3140 |
0.986 |
205 |
1212 |
|
|
3 |
A1 |
1475 |
1491 |
1.011 |
205 |
1213 |
|
|
4 |
A1 |
1384 |
1384 |
1.000 |
205 |
1214 |
|
|
5 |
A1 |
1138 |
1140 |
1.002 |
205 |
1215 |
|
|
6 |
A1 |
1073 |
1066 |
0.994 |
205 |
1216 |
|
|
7 |
A1 |
991 |
995 |
1.004 |
205 |
1217 |
|
|
8 |
A1 |
861 |
871 |
1.012 |
205 |
1218 |
|
|
9 |
A2 |
820 |
838 |
1.022 |
205 |
1219 |
|
|
10 |
A2 |
678 |
728 |
1.074 |
205 |
1220 |
|
|
11 |
A2 |
596 |
603 |
1.012 |
205 |
1221 |
|
|
12 |
B1 |
780 |
863 |
1.106 |
205 |
1222 |
|
|
13 |
B1 |
717 |
745 |
1.040 |
205 |
1223 |
|
|
14 |
B1 |
610 |
613 |
1.004 |
205 |
1224 |
|
|
15 |
B2 |
3208 |
3154 |
0.983 |
205 |
1225 |
|
|
16 |
B2 |
3173 |
3129 |
0.986 |
205 |
1226 |
|
|
17 |
B2 |
1552 |
1556 |
1.002 |
205 |
1227 |
|
|
18 |
B2 |
1243 |
1267 |
1.019 |
205 |
1228 |
|
|
19 |
B2 |
1170 |
1180 |
1.008 |
205 |
1229 |
|
|
20 |
B2 |
1029 |
1040 |
1.011 |
205 |
1230 |
|
|
21 |
B2 |
866 |
873 |
1.008 |
205 |
1231 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3025 |
3001 |
0.992 |
206 |
1232 |
|
|
2 |
A' |
3014 |
2935 |
0.974 |
206 |
1233 |
|
|
3 |
A' |
1878 |
1882 |
1.002 |
206 |
1234 |
|
|
4 |
A' |
1486 |
1475 |
0.993 |
206 |
1235 |
|
|
5 |
A' |
1419 |
1427 |
1.005 |
206 |
1236 |
|
|
6 |
A' |
1301 |
1319 |
1.014 |
206 |
1237 |
|
|
7 |
A' |
1182 |
1199 |
1.014 |
206 |
1238 |
|
|
8 |
A' |
1064 |
1093 |
1.027 |
206 |
1239 |
|
|
9 |
A' |
1002 |
1005 |
1.003 |
206 |
1240 |
|
|
10 |
A' |
901 |
924 |
1.026 |
206 |
1241 |
|
|
11 |
A' |
872 |
891 |
1.022 |
206 |
1242 |
|
|
12 |
A' |
730 |
746 |
1.022 |
206 |
1243 |
|
|
13 |
A' |
478 |
513 |
1.074 |
206 |
1244 |
|
|
14 |
A" |
3086 |
3028 |
0.981 |
206 |
1245 |
|
|
15 |
A" |
3069 |
3000 |
0.978 |
206 |
1246 |
|
|
16 |
A" |
1173 |
1184 |
1.010 |
206 |
1247 |
|
|
17 |
A" |
1127 |
1139 |
1.010 |
206 |
1248 |
|
|
18 |
A" |
1030 |
1046 |
1.015 |
206 |
1249 |
|
|
19 |
A" |
783 |
790 |
1.009 |
206 |
1250 |
|
|
20 |
A" |
500 |
490 |
0.980 |
206 |
1251 |
|
|
21 |
A" |
181 |
113 |
0.623 |
206 |
1252 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3045 |
2966 |
0.974 |
207 |
1253 |
|
|
1 |
A |
3061 |
2980 |
0.973 |
207 |
1254 |
|
|
2 |
A |
3038 |
2967 |
0.976 |
207 |
1255 |
|
|
2 |
A' |
2990 |
2872 |
0.961 |
207 |
1256 |
|
|
3 |
A' |
2975 |
2872 |
0.965 |
207 |
1257 |
|
|
3 |
A |
3028 |
2930 |
0.968 |
207 |
1258 |
|
|
4 |
A |
2995 |
2902 |
0.969 |
207 |
1259 |
|
|
4 |
A' |
2556 |
2580 |
1.009 |
207 |
1260 |
|
|
5 |
A' |
1475 |
1453 |
0.985 |
207 |
1261 |
|
|
5 |
A |
2966 |
2875 |
0.969 |
207 |
1262 |
|
|
6 |
A |
2553 |
2591 |
1.015 |
207 |
1263 |
|
|
6 |
A' |
1454 |
1453 |
0.999 |
207 |
1264 |
|
|
7 |
A' |
1380 |
1385 |
1.003 |
207 |
1265 |
|
|
7 |
A |
1468 |
1462 |
0.996 |
207 |
1266 |
|
|
8 |
A |
1460 |
1452 |
0.994 |
207 |
1267 |
|
|
8 |
A' |
1274 |
1309 |
1.027 |
207 |
1268 |
|
|
9 |
A' |
1092 |
1097 |
1.005 |
207 |
1269 |
|
|
9 |
A |
1444 |
1437 |
0.995 |
207 |
1270 |
|
|
10 |
A |
1376 |
1377 |
1.001 |
207 |
1271 |
|
|
10 |
A' |
981 |
978 |
0.997 |
207 |
1272 |
|
|
11 |
A' |
837 |
870 |
1.040 |
207 |
1273 |
|
|
11 |
A |
1278 |
1269 |
0.993 |
207 |
1274 |
|
|
12 |
A |
1254 |
1246 |
0.994 |
207 |
1275 |
|
|
12 |
A' |
653 |
660 |
1.011 |
207 |
1276 |
|
|
13 |
A' |
294 |
332 |
1.130 |
207 |
1277 |
|
|
13 |
A |
1099 |
1093 |
0.994 |
207 |
1278 |
|
|
14 |
A |
1047 |
1051 |
1.004 |
207 |
1279 |
|
|
14 |
A" |
3058 |
2966 |
0.970 |
207 |
1280 |
|
|
15 |
A" |
3031 |
2930 |
0.967 |
207 |
1281 |
|
|
15 |
A |
967 |
970 |
1.003 |
207 |
1282 |
|
|
16 |
A |
854 |
867 |
1.016 |
207 |
1283 |
|
|
16 |
A" |
1465 |
1453 |
0.992 |
207 |
1284 |
|
|
17 |
A" |
1244 |
1269 |
1.020 |
207 |
1285 |
|
|
17 |
A |
722 |
735 |
1.018 |
207 |
1286 |
|
|
18 |
A |
637 |
658 |
1.032 |
207 |
1287 |
|
|
18 |
A" |
1026 |
1049 |
1.022 |
207 |
1288 |
|
|
19 |
A" |
777 |
745 |
0.959 |
207 |
1289 |
|
|
19 |
A |
319 |
319 |
0.999 |
207 |
1290 |
|
|
20 |
A |
264 |
|
|
207 |
1291 |
|
|
21 |
A |
209 |
|
|
207 |
1292 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3070 |
2997 |
0.976 |
208 |
1293 |
|
|
2 |
A1 |
2964 |
2925 |
0.987 |
208 |
1294 |
|
|
3 |
A1 |
1456 |
1447 |
0.994 |
208 |
1295 |
|
|
4 |
A1 |
1346 |
1337 |
0.993 |
208 |
1296 |
|
|
5 |
A1 |
1035 |
1030 |
0.995 |
208 |
1297 |
|
|
6 |
A1 |
676 |
695 |
1.029 |
208 |
1298 |
|
|
7 |
A1 |
256 |
280 |
1.096 |
208 |
1299 |
|
|
8 |
A2 |
3046 |
2970 |
0.975 |
208 |
1300 |
|
|
9 |
A2 |
1432 |
1427 |
0.997 |
208 |
1301 |
|
|
10 |
A2 |
935 |
946 |
1.012 |
208 |
1302 |
|
|
11 |
A2 |
185 |
175 |
0.946 |
208 |
1303 |
|
|
12 |
B1 |
3038 |
2970 |
0.978 |
208 |
1304 |
|
|
13 |
B1 |
1442 |
1439 |
0.998 |
208 |
1305 |
|
|
14 |
B1 |
979 |
973 |
0.994 |
208 |
1306 |
|
|
15 |
B1 |
183 |
183 |
0.998 |
208 |
1307 |
|
|
16 |
B2 |
3071 |
2999 |
0.977 |
208 |
1308 |
|
|
17 |
B2 |
2967 |
2919 |
0.984 |
208 |
1309 |
|
|
18 |
B2 |
1446 |
1442 |
0.997 |
208 |
1310 |
|
|
19 |
B2 |
1318 |
1315 |
0.998 |
208 |
1311 |
|
|
20 |
B2 |
896 |
903 |
1.008 |
208 |
1312 |
|
|
21 |
B2 |
723 |
742 |
1.026 |
208 |
1313 |
C4H4S |
Thiophene |
1 |
A1 |
3183 |
3126 |
0.982 |
209 |
1314 |
|
|
2 |
A1 |
3145 |
3098 |
0.985 |
209 |
1315 |
|
|
3 |
A1 |
1426 |
1409 |
0.988 |
209 |
1316 |
|
|
4 |
A1 |
1360 |
1360 |
1.000 |
209 |
1317 |
|
|
5 |
A1 |
1074 |
1083 |
1.009 |
209 |
1318 |
|
|
6 |
A1 |
1039 |
1036 |
0.997 |
209 |
1319 |
|
|
7 |
A1 |
825 |
872 |
1.057 |
209 |
1320 |
|
|
8 |
A1 |
600 |
608 |
1.013 |
209 |
1321 |
|
|
9 |
A2 |
855 |
867 |
1.014 |
209 |
1322 |
|
|
10 |
A2 |
637 |
688 |
1.080 |
209 |
1323 |
|
|
11 |
A2 |
552 |
567 |
1.028 |
209 |
1324 |
|
|
12 |
B1 |
814 |
839 |
1.031 |
209 |
1325 |
|
|
13 |
B1 |
689 |
712 |
1.034 |
209 |
1326 |
|
|
14 |
B1 |
442 |
452 |
1.022 |
209 |
1327 |
|
|
15 |
B2 |
3180 |
3125 |
0.983 |
209 |
1328 |
|
|
16 |
B2 |
3131 |
3086 |
0.986 |
209 |
1329 |
|
|
17 |
B2 |
1515 |
1504 |
0.993 |
209 |
1330 |
|
|
18 |
B2 |
1234 |
1256 |
1.018 |
209 |
1331 |
|
|
19 |
B2 |
1075 |
1085 |
1.009 |
209 |
1332 |
|
|
20 |
B2 |
854 |
903 |
1.058 |
209 |
1333 |
|
|
21 |
B2 |
735 |
751 |
1.022 |
209 |
1334 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3156 |
3087 |
0.978 |
210 |
1335 |
|
|
2 |
Ag |
3069 |
3003 |
0.978 |
210 |
1336 |
|
|
3 |
Ag |
3055 |
2992 |
0.979 |
210 |
1337 |
|
|
4 |
Ag |
1660 |
1630 |
0.982 |
210 |
1338 |
|
|
5 |
Ag |
1434 |
1438 |
1.003 |
210 |
1339 |
|
|
6 |
Ag |
1279 |
1280 |
1.001 |
210 |
1340 |
|
|
7 |
Ag |
1204 |
1196 |
0.993 |
210 |
1341 |
|
|
8 |
Ag |
885 |
894 |
1.010 |
210 |
1342 |
|
|
9 |
Ag |
505 |
512 |
1.014 |
210 |
1343 |
|
|
10 |
Au |
1019 |
1013 |
0.994 |
210 |
1344 |
|
|
11 |
Au |
874 |
908 |
1.039 |
210 |
1345 |
|
|
12 |
Au |
519 |
522 |
1.006 |
210 |
1346 |
|
|
13 |
Au |
177 |
162 |
0.914 |
210 |
1347 |
|
|
14 |
Bg |
953 |
976 |
1.024 |
210 |
1348 |
|
|
15 |
Bg |
878 |
912 |
1.039 |
210 |
1349 |
|
|
16 |
Bg |
755 |
770 |
1.020 |
210 |
1350 |
|
|
17 |
Bu |
3157 |
3101 |
0.982 |
210 |
1351 |
|
|
18 |
Bu |
3069 |
3055 |
0.995 |
210 |
1352 |
|
|
19 |
Bu |
3065 |
2984 |
0.973 |
210 |
1353 |
|
|
20 |
Bu |
1611 |
1596 |
0.991 |
210 |
1354 |
|
|
21 |
Bu |
1377 |
1381 |
1.003 |
210 |
1355 |
|
|
22 |
Bu |
1283 |
1294 |
1.009 |
210 |
1356 |
|
|
23 |
Bu |
976 |
990 |
1.014 |
210 |
1357 |
|
|
24 |
Bu |
287 |
301 |
1.049 |
210 |
1358 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
2956 |
2916 |
0.986 |
211 |
1359 |
|
|
2 |
A1' |
2301 |
2240 |
0.974 |
211 |
1360 |
|
|
3 |
A1' |
1381 |
1380 |
0.999 |
211 |
1361 |
|
|
4 |
A1' |
721 |
725 |
1.005 |
211 |
1362 |
|
|
6 |
A2" |
2956 |
2938 |
0.994 |
211 |
1363 |
|
|
7 |
A2" |
1379 |
1382 |
1.002 |
211 |
1364 |
|
|
8 |
A2" |
1169 |
1152 |
0.986 |
211 |
1365 |
|
|
9 |
E' |
3015 |
2973 |
0.986 |
211 |
1366 |
|
|
10 |
E' |
1449 |
1456 |
1.005 |
211 |
1367 |
|
|
11 |
E' |
1037 |
1054 |
1.017 |
211 |
1368 |
|
|
12 |
E' |
195 |
213 |
1.090 |
211 |
1369 |
|
|
13 |
E" |
3016 |
2966 |
0.983 |
211 |
1370 |
|
|
14 |
E" |
1449 |
1448 |
1.000 |
211 |
1371 |
|
|
15 |
E" |
1005 |
1029 |
1.024 |
211 |
1372 |
|
|
16 |
E" |
349 |
371 |
1.062 |
211 |
1373 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3065 |
3061 |
0.999 |
212 |
1374 |
|
|
2 |
A' |
3045 |
3010 |
0.989 |
212 |
1375 |
|
|
3 |
A' |
3040 |
2965 |
0.975 |
212 |
1376 |
|
|
4 |
A' |
2960 |
2905 |
0.981 |
212 |
1377 |
|
|
5 |
A' |
2012 |
1970 |
0.979 |
212 |
1378 |
|
|
6 |
A' |
1472 |
1453 |
0.987 |
212 |
1379 |
|
|
7 |
A' |
1433 |
1437 |
1.003 |
212 |
1380 |
|
|
8 |
A' |
1368 |
1389 |
1.015 |
212 |
1381 |
|
|
9 |
A' |
1326 |
1330 |
1.003 |
212 |
1382 |
|
|
10 |
A' |
1129 |
1132 |
1.003 |
212 |
1383 |
|
|
11 |
A' |
1063 |
1074 |
1.011 |
212 |
1384 |
|
|
12 |
A' |
864 |
876 |
1.014 |
212 |
1385 |
|
|
13 |
A' |
813 |
859 |
1.057 |
212 |
1386 |
|
|
14 |
A' |
555 |
555 |
1.001 |
212 |
1387 |
|
|
15 |
A' |
201 |
210 |
1.043 |
212 |
1388 |
|
|
16 |
A" |
3112 |
3061 |
0.984 |
212 |
1389 |
|
|
17 |
A" |
3011 |
2965 |
0.985 |
212 |
1390 |
|
|
18 |
A" |
1453 |
1453 |
1.000 |
212 |
1391 |
|
|
19 |
A" |
1025 |
1110 |
1.083 |
212 |
1392 |
|
|
20 |
A" |
991 |
1011 |
1.020 |
212 |
1393 |
|
|
21 |
A" |
864 |
842 |
0.974 |
212 |
1394 |
|
|
22 |
A" |
519 |
523 |
1.008 |
212 |
1395 |
|
|
23 |
A" |
326 |
322 |
0.988 |
212 |
1396 |
C4H6 |
Cyclobutene |
1 |
A1 |
3121 |
3060 |
0.980 |
213 |
1397 |
|
|
2 |
A1 |
2972 |
2935 |
0.987 |
213 |
1398 |
|
|
3 |
A1 |
1594 |
1570 |
0.985 |
213 |
1399 |
|
|
4 |
A1 |
1449 |
1450 |
1.001 |
213 |
1400 |
|
|
5 |
A1 |
1175 |
1276 |
1.086 |
213 |
1401 |
|
|
6 |
A1 |
1110 |
1186 |
1.069 |
213 |
1402 |
|
|
7 |
A1 |
980 |
1113 |
1.136 |
213 |
1403 |
|
|
8 |
A1 |
883 |
886 |
1.003 |
213 |
1404 |
|
|
9 |
A2 |
3006 |
2955 |
0.983 |
213 |
1405 |
|
|
10 |
A2 |
1138 |
1276 |
1.121 |
213 |
1406 |
|
|
11 |
A2 |
1006 |
1081 |
1.074 |
213 |
1407 |
|
|
12 |
A2 |
886 |
850 |
0.960 |
213 |
1408 |
|
|
13 |
A2 |
311 |
325 |
1.047 |
213 |
1409 |
|
|
14 |
B1 |
3020 |
2955 |
0.978 |
213 |
1410 |
|
|
15 |
B1 |
1072 |
1074 |
1.002 |
213 |
1411 |
|
|
16 |
B1 |
845 |
846 |
1.001 |
213 |
1412 |
|
|
17 |
B1 |
621 |
635 |
1.023 |
213 |
1413 |
|
|
18 |
B2 |
3088 |
3047 |
0.987 |
213 |
1414 |
|
|
19 |
B2 |
2967 |
2916 |
0.983 |
213 |
1415 |
|
|
20 |
B2 |
1428 |
1427 |
0.999 |
213 |
1416 |
|
|
21 |
B2 |
1281 |
1294 |
1.010 |
213 |
1417 |
|
|
22 |
B2 |
1189 |
1214 |
1.021 |
213 |
1418 |
|
|
23 |
B2 |
886 |
888 |
1.003 |
213 |
1419 |
|
|
24 |
B2 |
839 |
740 |
0.882 |
213 |
1420 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3054 |
3010 |
0.986 |
214 |
1421 |
|
|
2 |
A1 |
3035 |
3002 |
0.989 |
214 |
1422 |
|
|
3 |
A1 |
1797 |
1743 |
0.970 |
214 |
1423 |
|
|
4 |
A1 |
1443 |
1437 |
0.995 |
214 |
1424 |
|
|
5 |
A1 |
1405 |
1410 |
1.003 |
214 |
1425 |
|
|
6 |
A1 |
1055 |
1036 |
0.982 |
214 |
1426 |
|
|
7 |
A1 |
991 |
1002 |
1.011 |
214 |
1427 |
|
|
8 |
A1 |
738 |
723 |
0.980 |
214 |
1428 |
|
|
9 |
A2 |
3104 |
3051 |
0.983 |
214 |
1429 |
|
|
10 |
A2 |
1137 |
1144 |
1.006 |
214 |
1430 |
|
|
11 |
A2 |
934 |
937 |
1.003 |
214 |
1431 |
|
|
12 |
A2 |
597 |
616 |
1.032 |
214 |
1432 |
|
|
13 |
B1 |
3117 |
3071 |
0.985 |
214 |
1433 |
|
|
14 |
B1 |
1065 |
1072 |
1.007 |
214 |
1434 |
|
|
15 |
B1 |
861 |
889 |
1.033 |
214 |
1435 |
|
|
16 |
B1 |
737 |
748 |
1.014 |
214 |
1436 |
|
|
17 |
B1 |
271 |
360 |
1.328 |
214 |
1437 |
|
|
18 |
B2 |
3134 |
3086 |
0.985 |
214 |
1438 |
|
|
19 |
B2 |
3034 |
2999 |
0.988 |
214 |
1439 |
|
|
20 |
B2 |
1409 |
1353 |
0.961 |
214 |
1440 |
|
|
21 |
B2 |
1113 |
1174 |
1.055 |
214 |
1441 |
|
|
22 |
B2 |
1021 |
1125 |
1.102 |
214 |
1442 |
|
|
23 |
B2 |
884 |
792 |
0.896 |
214 |
1443 |
|
|
24 |
B2 |
343 |
290 |
0.846 |
214 |
1444 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3378 |
3345 |
0.990 |
215 |
1445 |
|
|
2 |
A' |
3020 |
2985 |
0.988 |
215 |
1446 |
|
|
3 |
A' |
2961 |
2840 |
0.959 |
215 |
1447 |
|
|
4 |
A' |
2949 |
2860 |
0.970 |
215 |
1448 |
|
|
5 |
A' |
1671 |
1622 |
0.970 |
215 |
1449 |
|
|
6 |
A' |
1471 |
1487 |
1.011 |
215 |
1450 |
|
|
7 |
A' |
1450 |
1465 |
1.010 |
215 |
1451 |
|
|
8 |
A' |
1368 |
1378 |
1.007 |
215 |
1452 |
|
|
9 |
A' |
1342 |
1397 |
1.041 |
215 |
1453 |
|
|
10 |
A' |
1133 |
1016 |
0.897 |
215 |
1454 |
|
|
11 |
A' |
1041 |
1086 |
1.043 |
215 |
1455 |
|
|
12 |
A' |
883 |
892 |
1.011 |
215 |
1456 |
|
|
13 |
A' |
848 |
773 |
0.912 |
215 |
1457 |
|
|
14 |
A' |
389 |
403 |
1.037 |
215 |
1458 |
|
|
15 |
A" |
3456 |
3412 |
0.987 |
215 |
1459 |
|
|
16 |
A" |
3027 |
2924 |
0.966 |
215 |
1460 |
|
|
17 |
A" |
2990 |
2906 |
0.972 |
215 |
1461 |
|
|
18 |
A" |
1464 |
1455 |
0.994 |
215 |
1462 |
|
|
19 |
A" |
1371 |
1238 |
0.903 |
215 |
1463 |
|
|
20 |
A" |
1244 |
1293 |
1.040 |
215 |
1464 |
|
|
21 |
A" |
990 |
1117 |
1.128 |
215 |
1465 |
|
|
22 |
A" |
760 |
816 |
1.074 |
215 |
1466 |
|
|
23 |
A" |
303 |
259 |
0.854 |
215 |
1467 |
|
|
24 |
A" |
251 |
218 |
0.867 |
215 |
1468 |
C4H5N |
Pyrrole |
1 |
A1 |
3593 |
3531 |
0.983 |
216 |
1469 |
|
|
2 |
A1 |
3197 |
3149 |
0.985 |
216 |
1470 |
|
|
3 |
A1 |
3175 |
3128 |
0.985 |
216 |
1471 |
|
|
4 |
A1 |
1467 |
1472 |
1.003 |
216 |
1472 |
|
|
5 |
A1 |
1396 |
1401 |
1.003 |
216 |
1473 |
|
|
6 |
A1 |
1155 |
1148 |
0.994 |
216 |
1474 |
|
|
7 |
A1 |
1072 |
1075 |
1.002 |
216 |
1475 |
|
|
8 |
A1 |
1013 |
1017 |
1.004 |
216 |
1476 |
|
|
9 |
A1 |
875 |
882 |
1.008 |
216 |
1477 |
|
|
10 |
A2 |
815 |
864 |
1.061 |
216 |
1478 |
|
|
11 |
A2 |
624 |
692 |
1.109 |
216 |
1479 |
|
|
12 |
A2 |
612 |
614 |
1.003 |
216 |
1480 |
|
|
13 |
B1 |
762 |
827 |
1.085 |
216 |
1481 |
|
|
14 |
B1 |
686 |
722 |
1.053 |
216 |
1482 |
|
|
15 |
B1 |
625 |
621 |
0.994 |
216 |
1483 |
|
|
16 |
B1 |
442 |
475 |
1.073 |
216 |
1484 |
|
|
17 |
B2 |
3191 |
3143 |
0.985 |
216 |
1485 |
|
|
18 |
B2 |
3163 |
3119 |
0.986 |
216 |
1486 |
|
|
19 |
B2 |
1539 |
1519 |
0.987 |
216 |
1487 |
|
|
20 |
B2 |
1432 |
1424 |
0.995 |
216 |
1488 |
|
|
21 |
B2 |
1268 |
1288 |
1.016 |
216 |
1489 |
|
|
22 |
B2 |
1138 |
1134 |
0.997 |
216 |
1490 |
|
|
23 |
B2 |
1040 |
1049 |
1.009 |
216 |
1491 |
|
|
24 |
B2 |
852 |
866 |
1.016 |
216 |
1492 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3175 |
3120 |
0.983 |
217 |
1493 |
|
|
2 |
A' |
3098 |
3052 |
0.985 |
217 |
1494 |
|
|
3 |
A' |
3080 |
3044 |
0.988 |
217 |
1495 |
|
|
4 |
A' |
2264 |
2264 |
1.000 |
217 |
1496 |
|
|
5 |
A' |
1465 |
1468 |
1.002 |
217 |
1497 |
|
|
6 |
A' |
1349 |
1344 |
0.996 |
217 |
1498 |
|
|
7 |
A' |
1197 |
1195 |
0.998 |
217 |
1499 |
|
|
8 |
A' |
1112 |
1125 |
1.012 |
217 |
1500 |
|
|
9 |
A' |
1022 |
1049 |
1.026 |
217 |
1501 |
|
|
10 |
A' |
955 |
941 |
0.985 |
217 |
1502 |
|
|
11 |
A' |
798 |
808 |
1.013 |
217 |
1503 |
|
|
12 |
A' |
744 |
736 |
0.990 |
217 |
1504 |
|
|
13 |
A' |
521 |
527 |
1.011 |
217 |
1505 |
|
|
14 |
A' |
209 |
222 |
1.064 |
217 |
1506 |
|
|
15 |
A" |
3160 |
3094 |
0.979 |
217 |
1507 |
|
|
16 |
A" |
3077 |
3040 |
0.988 |
217 |
1508 |
|
|
17 |
A" |
1430 |
1442 |
1.008 |
217 |
1509 |
|
|
18 |
A" |
1171 |
1180 |
1.008 |
217 |
1510 |
|
|
19 |
A" |
1071 |
1070 |
0.999 |
217 |
1511 |
|
|
20 |
A" |
1039 |
1088 |
1.048 |
217 |
1512 |
|
|
21 |
A" |
872 |
880 |
1.009 |
217 |
1513 |
|
|
22 |
A" |
809 |
821 |
1.015 |
217 |
1514 |
|
|
23 |
A" |
542 |
543 |
1.003 |
217 |
1515 |
|
|
24 |
A" |
210 |
222 |
1.056 |
217 |
1516 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3127 |
3063 |
0.980 |
218 |
1517 |
|
|
2 |
A1 |
3098 |
3043 |
0.982 |
218 |
1518 |
|
|
3 |
A1 |
1566 |
1572 |
1.004 |
218 |
1519 |
|
|
4 |
A1 |
1436 |
1414 |
0.985 |
218 |
1520 |
|
|
5 |
A1 |
1175 |
1283 |
1.092 |
218 |
1521 |
|
|
6 |
A1 |
1137 |
1160 |
1.021 |
218 |
1522 |
|
|
7 |
A1 |
1063 |
1063 |
1.000 |
218 |
1523 |
|
|
8 |
A1 |
982 |
964 |
0.982 |
218 |
1524 |
|
|
9 |
A1 |
660 |
619 |
0.938 |
218 |
1525 |
|
|
10 |
A2 |
969 |
936 |
0.966 |
218 |
1526 |
|
|
11 |
A2 |
905 |
863 |
0.953 |
218 |
1527 |
|
|
12 |
A2 |
746 |
751 |
1.006 |
218 |
1528 |
|
|
13 |
A2 |
346 |
421 |
1.218 |
218 |
1529 |
|
|
14 |
B1 |
936 |
|
|
218 |
1530 |
|
|
15 |
B1 |
727 |
760 |
1.045 |
218 |
1531 |
|
|
16 |
B1 |
341 |
370 |
1.085 |
218 |
1532 |
|
|
17 |
B2 |
3112 |
3075 |
0.988 |
218 |
1533 |
|
|
18 |
B2 |
3093 |
3043 |
0.984 |
218 |
1534 |
|
|
19 |
B2 |
1558 |
1565 |
1.004 |
218 |
1535 |
|
|
20 |
B2 |
1393 |
1444 |
1.037 |
218 |
1536 |
|
|
21 |
B2 |
1271 |
1239 |
0.974 |
218 |
1537 |
|
|
22 |
B2 |
1054 |
1052 |
0.998 |
218 |
1538 |
|
|
23 |
B2 |
1024 |
1009 |
0.986 |
218 |
1539 |
|
|
24 |
B2 |
612 |
664 |
1.085 |
218 |
1540 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3126 |
3082 |
0.986 |
219 |
1541 |
|
|
2 |
A1 |
3092 |
3053 |
0.987 |
219 |
1542 |
|
|
3 |
A1 |
3075 |
3049 |
0.992 |
219 |
1543 |
|
|
4 |
A1 |
1565 |
1572 |
1.005 |
219 |
1544 |
|
|
5 |
A1 |
1394 |
1465 |
1.051 |
219 |
1545 |
|
|
6 |
A1 |
1132 |
1155 |
1.020 |
219 |
1546 |
|
|
7 |
A1 |
1054 |
1065 |
1.011 |
219 |
1547 |
|
|
8 |
A1 |
981 |
969 |
0.988 |
219 |
1548 |
|
|
9 |
A1 |
675 |
679 |
1.006 |
219 |
1549 |
|
|
10 |
A2 |
956 |
960 |
1.004 |
219 |
1550 |
|
|
11 |
A2 |
384 |
398 |
1.036 |
219 |
1551 |
|
|
12 |
B1 |
977 |
1033 |
1.057 |
219 |
1552 |
|
|
13 |
B1 |
941 |
980 |
1.042 |
219 |
1553 |
|
|
14 |
B1 |
794 |
804 |
1.012 |
219 |
1554 |
|
|
15 |
B1 |
718 |
719 |
1.002 |
219 |
1555 |
|
|
16 |
B1 |
320 |
347 |
1.086 |
219 |
1556 |
|
|
17 |
B2 |
3078 |
3047 |
0.990 |
219 |
1557 |
|
|
18 |
B2 |
1565 |
1569 |
1.002 |
219 |
1558 |
|
|
19 |
B2 |
1452 |
1411 |
0.972 |
219 |
1559 |
|
|
20 |
B2 |
1354 |
1356 |
1.002 |
219 |
1560 |
|
|
21 |
B2 |
1243 |
1224 |
0.985 |
219 |
1561 |
|
|
22 |
B2 |
1206 |
1158 |
0.960 |
219 |
1562 |
|
|
23 |
B2 |
1064 |
1071 |
1.006 |
219 |
1563 |
|
|
24 |
B2 |
612 |
621 |
1.014 |
219 |
1564 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3095 |
3055 |
0.987 |
220 |
1565 |
|
|
2 |
Ag |
1570 |
1580 |
1.006 |
220 |
1566 |
|
|
3 |
Ag |
1221 |
1233 |
1.010 |
220 |
1567 |
|
|
4 |
Ag |
1014 |
1016 |
1.002 |
220 |
1568 |
|
|
5 |
Ag |
589 |
602 |
1.023 |
220 |
1569 |
|
|
6 |
Au |
953 |
960 |
1.008 |
220 |
1570 |
|
|
7 |
Au |
310 |
350 |
1.131 |
220 |
1571 |
|
|
8 |
B1g |
910 |
927 |
1.018 |
220 |
1572 |
|
|
9 |
B1u |
3072 |
3012 |
0.980 |
220 |
1573 |
|
|
10 |
B1u |
1469 |
1483 |
1.009 |
220 |
1574 |
|
|
11 |
B1u |
1138 |
1130 |
0.993 |
220 |
1575 |
|
|
12 |
B1u |
1002 |
1018 |
1.016 |
220 |
1576 |
|
|
13 |
B2g |
946 |
983 |
1.039 |
220 |
1577 |
|
|
14 |
B2g |
757 |
756 |
0.998 |
220 |
1578 |
|
|
15 |
B2u |
3087 |
3069 |
0.994 |
220 |
1579 |
|
|
16 |
B2u |
1405 |
1411 |
1.004 |
220 |
1580 |
|
|
17 |
B2u |
1235 |
1149 |
0.930 |
220 |
1581 |
|
|
18 |
B2u |
1060 |
1063 |
1.003 |
220 |
1582 |
|
|
19 |
B3g |
3072 |
3040 |
0.990 |
220 |
1583 |
|
|
20 |
B3g |
1532 |
1525 |
0.996 |
220 |
1584 |
|
|
21 |
B3g |
1334 |
1346 |
1.009 |
220 |
1585 |
|
|
22 |
B3g |
700 |
704 |
1.006 |
220 |
1586 |
|
|
23 |
B3u |
767 |
785 |
1.023 |
220 |
1587 |
|
|
24 |
B3u |
409 |
418 |
1.021 |
220 |
1588 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3672 |
3675 |
1.001 |
221 |
1589 |
|
|
2 |
A |
3149 |
3102 |
0.985 |
221 |
1590 |
|
|
3 |
A |
3078 |
3022 |
0.982 |
221 |
1591 |
|
|
4 |
A |
3061 |
2995 |
0.978 |
221 |
1592 |
|
|
5 |
A |
2917 |
2934 |
1.006 |
221 |
1593 |
|
|
6 |
A |
2881 |
2866 |
0.995 |
221 |
1594 |
|
|
7 |
A |
1675 |
1654 |
0.987 |
221 |
1595 |
|
|
8 |
A |
1469 |
1453 |
0.989 |
221 |
1596 |
|
|
9 |
A |
1435 |
1414 |
0.986 |
221 |
1597 |
|
|
10 |
A |
1388 |
1384 |
0.997 |
221 |
1598 |
|
|
11 |
A |
1276 |
1320 |
1.034 |
221 |
1599 |
|
|
12 |
A |
1250 |
1293 |
1.035 |
221 |
1600 |
|
|
13 |
A |
1208 |
1191 |
0.986 |
221 |
1601 |
|
|
14 |
A |
1133 |
1132 |
0.998 |
221 |
1602 |
|
|
15 |
A |
1029 |
1110 |
1.078 |
221 |
1603 |
|
|
16 |
A |
995 |
1038 |
1.043 |
221 |
1604 |
|
|
17 |
A |
936 |
995 |
1.063 |
221 |
1605 |
|
|
18 |
A |
900 |
919 |
1.022 |
221 |
1606 |
|
|
19 |
A |
897 |
885 |
0.987 |
221 |
1607 |
|
|
20 |
A |
631 |
606 |
0.959 |
221 |
1608 |
|
|
22 |
A |
319 |
377 |
1.182 |
221 |
1609 |
|
|
23 |
A |
259 |
277 |
1.072 |
221 |
1610 |
|
|
24 |
A |
116 |
188 |
1.617 |
221 |
1611 |
CH3CH2CHO |
Propanal |
1 |
A' |
3061 |
2981 |
0.974 |
222 |
1612 |
|
|
2 |
A' |
2989 |
2904 |
0.972 |
222 |
1613 |
|
|
3 |
A' |
2942 |
2895 |
0.984 |
222 |
1614 |
|
|
4 |
A' |
2766 |
2809 |
1.016 |
222 |
1615 |
|
|
5 |
A' |
1765 |
1743 |
0.988 |
222 |
1616 |
|
|
6 |
A' |
1471 |
1460 |
0.993 |
222 |
1617 |
|
|
7 |
A' |
1413 |
1416 |
1.002 |
222 |
1618 |
|
|
8 |
A' |
1383 |
1390 |
1.005 |
222 |
1619 |
|
|
9 |
A' |
1369 |
1376 |
1.005 |
222 |
1620 |
|
|
10 |
A' |
1321 |
1335 |
1.011 |
222 |
1621 |
|
|
11 |
A' |
1087 |
1093 |
1.006 |
222 |
1622 |
|
|
12 |
A' |
980 |
993 |
1.013 |
222 |
1623 |
|
|
13 |
A' |
837 |
848 |
1.013 |
222 |
1624 |
|
|
14 |
A' |
658 |
668 |
1.015 |
222 |
1625 |
|
|
15 |
A' |
247 |
271 |
1.096 |
222 |
1626 |
|
|
16 |
A" |
3061 |
2992 |
0.978 |
222 |
1627 |
|
|
17 |
A" |
2964 |
2942 |
0.993 |
222 |
1628 |
|
|
18 |
A" |
1464 |
1451 |
0.991 |
222 |
1629 |
|
|
19 |
A" |
1245 |
1250 |
1.004 |
222 |
1630 |
|
|
20 |
A" |
1104 |
1118 |
1.012 |
222 |
1631 |
|
|
21 |
A" |
874 |
892 |
1.020 |
222 |
1632 |
|
|
22 |
A" |
643 |
660 |
1.026 |
222 |
1633 |
|
|
23 |
A" |
227 |
220 |
0.969 |
222 |
1634 |
|
|
24 |
A" |
127 |
135 |
1.063 |
222 |
1635 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3079 |
3018 |
0.980 |
223 |
1636 |
|
|
2 |
A |
3031 |
2985 |
0.985 |
223 |
1637 |
|
|
3 |
A |
2980 |
2958 |
0.992 |
223 |
1638 |
|
|
4 |
A |
2920 |
2945 |
1.008 |
223 |
1639 |
|
|
5 |
A |
2907 |
2922 |
1.005 |
223 |
1640 |
|
|
6 |
A |
2267 |
2245 |
0.990 |
223 |
1641 |
|
|
7 |
A |
1474 |
1472 |
0.998 |
223 |
1642 |
|
|
8 |
A |
1453 |
1452 |
0.999 |
223 |
1643 |
|
|
9 |
A |
1441 |
1439 |
0.998 |
223 |
1644 |
|
|
10 |
A |
1427 |
1431 |
1.003 |
223 |
1645 |
|
|
11 |
A |
1348 |
1368 |
1.015 |
223 |
1646 |
|
|
12 |
A |
1278 |
1287 |
1.007 |
223 |
1647 |
|
|
13 |
A |
1180 |
1199 |
1.016 |
223 |
1648 |
|
|
14 |
A |
1147 |
1161 |
1.012 |
223 |
1649 |
|
|
15 |
A |
1109 |
1127 |
1.017 |
223 |
1650 |
|
|
16 |
A |
998 |
1016 |
1.018 |
223 |
1651 |
|
|
17 |
A |
916 |
925 |
1.009 |
223 |
1652 |
|
|
18 |
A |
881 |
890 |
1.010 |
223 |
1653 |
|
|
19 |
A |
586 |
586 |
0.999 |
223 |
1654 |
|
|
20 |
A |
382 |
404 |
1.058 |
223 |
1655 |
|
|
21 |
A |
353 |
347 |
0.983 |
223 |
1656 |
|
|
22 |
A |
248 |
243 |
0.979 |
223 |
1657 |
|
|
23 |
A |
173 |
170 |
0.982 |
223 |
1658 |
|
|
24 |
A |
115 |
113 |
0.986 |
223 |
1659 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3082 |
2990 |
0.970 |
224 |
1660 |
|
|
2 |
A |
3066 |
2983 |
0.973 |
224 |
1661 |
|
|
3 |
A |
2980 |
2913 |
0.978 |
224 |
1662 |
|
|
4 |
A |
1439 |
1426 |
0.991 |
224 |
1663 |
|
|
5 |
A |
1432 |
1419 |
0.991 |
224 |
1664 |
|
|
6 |
A |
1327 |
1311 |
0.988 |
224 |
1665 |
|
|
7 |
A |
960 |
955 |
0.994 |
224 |
1666 |
|
|
8 |
A |
951 |
949 |
0.998 |
224 |
1667 |
|
|
9 |
A |
668 |
694 |
1.038 |
224 |
1668 |
|
|
10 |
A |
465 |
509 |
1.095 |
224 |
1669 |
|
|
11 |
A |
224 |
240 |
1.071 |
224 |
1670 |
|
|
12 |
A |
160 |
134 |
0.839 |
224 |
1671 |
|
|
13 |
A |
103 |
117 |
1.139 |
224 |
1672 |
|
|
14 |
B |
3081 |
2990 |
0.970 |
224 |
1673 |
|
|
15 |
B |
3066 |
2983 |
0.973 |
224 |
1674 |
|
|
16 |
B |
2978 |
2915 |
0.979 |
224 |
1675 |
|
|
17 |
B |
1444 |
1430 |
0.990 |
224 |
1676 |
|
|
18 |
B |
1425 |
1415 |
0.993 |
224 |
1677 |
|
|
19 |
B |
1320 |
1303 |
0.987 |
224 |
1678 |
|
|
20 |
B |
958 |
955 |
0.997 |
224 |
1679 |
|
|
21 |
B |
951 |
949 |
0.998 |
224 |
1680 |
|
|
22 |
B |
669 |
691 |
1.033 |
224 |
1681 |
|
|
23 |
B |
249 |
274 |
1.100 |
224 |
1682 |
|
|
24 |
B |
170 |
134 |
0.787 |
224 |
1683 |
C3H8 |
Propane |
1 |
A1 |
3035 |
2977 |
0.981 |
225 |
1684 |
|
|
2 |
A1 |
2962 |
2962 |
1.000 |
225 |
1685 |
|
|
3 |
A1 |
2956 |
2887 |
0.977 |
225 |
1686 |
|
|
4 |
A1 |
1482 |
1476 |
0.996 |
225 |
1687 |
|
|
5 |
A1 |
1457 |
1462 |
1.003 |
225 |
1688 |
|
|
6 |
A1 |
1384 |
1392 |
1.006 |
225 |
1689 |
|
|
7 |
A1 |
1146 |
1158 |
1.010 |
225 |
1690 |
|
|
8 |
A1 |
865 |
869 |
1.005 |
225 |
1691 |
|
|
9 |
A1 |
359 |
369 |
1.029 |
225 |
1692 |
|
|
10 |
A2 |
3021 |
2967 |
0.982 |
225 |
1693 |
|
|
11 |
A2 |
1459 |
1451 |
0.994 |
225 |
1694 |
|
|
12 |
A2 |
1288 |
1278 |
0.992 |
225 |
1695 |
|
|
13 |
A2 |
889 |
940 |
1.058 |
225 |
1696 |
|
|
14 |
A2 |
220 |
216 |
0.984 |
225 |
1697 |
|
|
15 |
B1 |
3032 |
2973 |
0.980 |
225 |
1698 |
|
|
16 |
B1 |
2980 |
2968 |
0.996 |
225 |
1699 |
|
|
17 |
B1 |
1479 |
1472 |
0.995 |
225 |
1700 |
|
|
18 |
B1 |
1178 |
1192 |
1.012 |
225 |
1701 |
|
|
19 |
B1 |
731 |
748 |
1.023 |
225 |
1702 |
|
|
20 |
B1 |
269 |
268 |
0.997 |
225 |
1703 |
|
|
21 |
B2 |
3032 |
2968 |
0.979 |
225 |
1704 |
|
|
22 |
B2 |
2958 |
2887 |
0.976 |
225 |
1705 |
|
|
23 |
B2 |
1467 |
1464 |
0.998 |
225 |
1706 |
|
|
24 |
B2 |
1367 |
1378 |
1.008 |
225 |
1707 |
|
|
25 |
B2 |
1326 |
1338 |
1.009 |
225 |
1708 |
|
|
26 |
B2 |
1050 |
1054 |
1.004 |
225 |
1709 |
|
|
27 |
B2 |
907 |
922 |
1.017 |
225 |
1710 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3157 |
3091 |
0.979 |
226 |
1711 |
|
|
2 |
A1 |
3131 |
3075 |
0.982 |
226 |
1712 |
|
|
3 |
A1 |
2952 |
2886 |
0.978 |
226 |
1713 |
|
|
4 |
A1 |
1509 |
1500 |
0.994 |
226 |
1714 |
|
|
5 |
A1 |
1374 |
1378 |
1.003 |
226 |
1715 |
|
|
6 |
A1 |
1362 |
1365 |
1.002 |
226 |
1716 |
|
|
7 |
A1 |
1098 |
1106 |
1.007 |
226 |
1717 |
|
|
8 |
A1 |
1007 |
994 |
0.987 |
226 |
1718 |
|
|
9 |
A1 |
916 |
915 |
0.999 |
226 |
1719 |
|
|
10 |
A1 |
794 |
802 |
1.010 |
226 |
1720 |
|
|
11 |
A2 |
1092 |
1100 |
1.008 |
226 |
1721 |
|
|
12 |
A2 |
899 |
941 |
1.047 |
226 |
1722 |
|
|
13 |
A2 |
670 |
700 |
1.044 |
226 |
1723 |
|
|
14 |
A2 |
505 |
516 |
1.022 |
226 |
1724 |
|
|
15 |
B1 |
2977 |
2900 |
0.974 |
226 |
1725 |
|
|
16 |
B1 |
894 |
925 |
1.034 |
226 |
1726 |
|
|
17 |
B1 |
876 |
891 |
1.017 |
226 |
1727 |
|
|
18 |
B1 |
656 |
664 |
1.012 |
226 |
1728 |
|
|
19 |
B1 |
333 |
350 |
1.050 |
226 |
1729 |
|
|
20 |
B2 |
3150 |
3105 |
0.986 |
226 |
1730 |
|
|
21 |
B2 |
3120 |
3043 |
0.975 |
226 |
1731 |
|
|
22 |
B2 |
1594 |
1580 |
0.991 |
226 |
1732 |
|
|
23 |
B2 |
1277 |
1292 |
1.012 |
226 |
1733 |
|
|
24 |
B2 |
1225 |
1239 |
1.011 |
226 |
1734 |
|
|
25 |
B2 |
1078 |
1090 |
1.011 |
226 |
1735 |
|
|
26 |
B2 |
956 |
959 |
1.003 |
226 |
1736 |
|
|
27 |
B2 |
795 |
805 |
1.013 |
226 |
1737 |
C5H5N |
Pyridine |
1 |
A1 |
3125 |
3094 |
0.990 |
227 |
1738 |
|
|
2 |
A1 |
3101 |
3073 |
0.991 |
227 |
1739 |
|
|
3 |
A1 |
3075 |
3030 |
0.985 |
227 |
1740 |
|
|
4 |
A1 |
1586 |
1584 |
0.999 |
227 |
1741 |
|
|
5 |
A1 |
1471 |
1483 |
1.008 |
227 |
1742 |
|
|
6 |
A1 |
1212 |
1218 |
1.005 |
227 |
1743 |
|
|
7 |
A1 |
1067 |
1072 |
1.005 |
227 |
1744 |
|
|
8 |
A1 |
1023 |
1032 |
1.008 |
227 |
1745 |
|
|
9 |
A1 |
982 |
991 |
1.009 |
227 |
1746 |
|
|
10 |
A1 |
595 |
601 |
1.011 |
227 |
1747 |
|
|
11 |
A2 |
952 |
980 |
1.029 |
227 |
1748 |
|
|
12 |
A2 |
861 |
880 |
1.022 |
227 |
1749 |
|
|
13 |
A2 |
359 |
373 |
1.038 |
227 |
1750 |
|
|
14 |
B1 |
964 |
1007 |
1.044 |
227 |
1751 |
|
|
15 |
B1 |
914 |
937 |
1.024 |
227 |
1752 |
|
|
16 |
B1 |
739 |
744 |
1.007 |
227 |
1753 |
|
|
17 |
B1 |
690 |
700 |
1.015 |
227 |
1754 |
|
|
18 |
B1 |
401 |
403 |
1.005 |
227 |
1755 |
|
|
19 |
B2 |
3115 |
3087 |
0.991 |
227 |
1756 |
|
|
20 |
B2 |
3073 |
3042 |
0.990 |
227 |
1757 |
|
|
21 |
B2 |
1581 |
1581 |
1.000 |
227 |
1758 |
|
|
22 |
B2 |
1433 |
1442 |
1.006 |
227 |
1759 |
|
|
23 |
B2 |
1343 |
1362 |
1.014 |
227 |
1760 |
|
|
24 |
B2 |
1297 |
1227 |
0.946 |
227 |
1761 |
|
|
25 |
B2 |
1142 |
1143 |
1.001 |
227 |
1762 |
|
|
26 |
B2 |
1051 |
1079 |
1.027 |
227 |
1763 |
|
|
27 |
B2 |
649 |
652 |
1.004 |
227 |
1764 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3090 |
3058 |
0.990 |
228 |
1765 |
|
|
2 |
A' |
3061 |
2995 |
0.979 |
228 |
1766 |
|
|
3 |
A' |
3037 |
2963 |
0.975 |
228 |
1767 |
|
|
4 |
A' |
2958 |
2938 |
0.993 |
228 |
1768 |
|
|
5 |
A' |
2753 |
2805 |
1.019 |
228 |
1769 |
|
|
6 |
A' |
1723 |
1720 |
0.998 |
228 |
1770 |
|
|
7 |
A' |
1659 |
1649 |
0.994 |
228 |
1771 |
|
|
8 |
A' |
1452 |
1455 |
1.002 |
228 |
1772 |
|
|
9 |
A' |
1379 |
1391 |
1.009 |
228 |
1773 |
|
|
10 |
A' |
1372 |
1375 |
1.002 |
228 |
1774 |
|
|
11 |
A' |
1294 |
1304 |
1.008 |
228 |
1775 |
|
|
12 |
A' |
1239 |
1253 |
1.011 |
228 |
1776 |
|
|
13 |
A' |
1137 |
1147 |
1.009 |
228 |
1777 |
|
|
14 |
A' |
1080 |
1074 |
0.995 |
228 |
1778 |
|
|
15 |
A' |
922 |
973 |
1.056 |
228 |
1779 |
|
|
16 |
A' |
529 |
539 |
1.018 |
228 |
1780 |
|
|
17 |
A' |
449 |
464 |
1.034 |
228 |
1781 |
|
|
18 |
A' |
202 |
230 |
1.138 |
228 |
1782 |
|
|
19 |
A" |
3005 |
2980 |
0.992 |
228 |
1783 |
|
|
20 |
A" |
1444 |
1455 |
1.008 |
228 |
1784 |
|
|
21 |
A" |
1031 |
1042 |
1.011 |
228 |
1785 |
|
|
22 |
A" |
993 |
973 |
0.980 |
228 |
1786 |
|
|
23 |
A" |
967 |
928 |
0.960 |
228 |
1787 |
|
|
24 |
A" |
765 |
780 |
1.019 |
228 |
1788 |
|
|
25 |
A" |
295 |
295 |
0.999 |
228 |
1789 |
|
|
26 |
A" |
195 |
173 |
0.887 |
228 |
1790 |
|
|
27 |
A" |
125 |
122 |
0.973 |
228 |
1791 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3069 |
3005 |
0.979 |
229 |
1792 |
|
|
2 |
A' |
3046 |
2955 |
0.970 |
229 |
1793 |
|
|
3 |
A' |
3016 |
2927 |
0.971 |
229 |
1794 |
|
|
4 |
A' |
2973 |
2878 |
0.968 |
229 |
1795 |
|
|
5 |
A' |
1476 |
1472 |
0.997 |
229 |
1796 |
|
|
6 |
A' |
1460 |
1454 |
0.996 |
229 |
1797 |
|
|
7 |
A' |
1383 |
1390 |
1.005 |
229 |
1798 |
|
|
8 |
A' |
1258 |
1270 |
1.009 |
229 |
1799 |
|
|
9 |
A' |
1153 |
1163 |
1.008 |
229 |
1800 |
|
|
10 |
A' |
1053 |
1065 |
1.011 |
229 |
1801 |
|
|
11 |
A' |
877 |
888 |
1.012 |
229 |
1802 |
|
|
12 |
A' |
595 |
633 |
1.064 |
229 |
1803 |
|
|
13 |
A' |
411 |
418 |
1.016 |
229 |
1804 |
|
|
14 |
A' |
330 |
336 |
1.018 |
229 |
1805 |
|
|
15 |
A' |
268 |
253 |
0.944 |
229 |
1806 |
|
|
16 |
A" |
3064 |
2997 |
0.978 |
229 |
1807 |
|
|
17 |
A" |
3039 |
2985 |
0.982 |
229 |
1808 |
|
|
18 |
A" |
2968 |
2947 |
0.993 |
229 |
1809 |
|
|
19 |
A" |
1453 |
1472 |
1.013 |
229 |
1810 |
|
|
20 |
A" |
1446 |
1454 |
1.006 |
229 |
1811 |
|
|
21 |
A" |
1368 |
1377 |
1.007 |
229 |
1812 |
|
|
22 |
A" |
1320 |
1334 |
1.010 |
229 |
1813 |
|
|
23 |
A" |
1128 |
1123 |
0.995 |
229 |
1814 |
|
|
24 |
A" |
927 |
972 |
1.049 |
229 |
1815 |
|
|
25 |
A" |
918 |
936 |
1.020 |
229 |
1816 |
|
|
26 |
A" |
312 |
317 |
1.015 |
229 |
1817 |
|
|
27 |
A" |
240 |
276 |
1.150 |
229 |
1818 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3101 |
3022 |
0.975 |
230 |
1819 |
|
|
2 |
A |
3074 |
3004 |
0.977 |
230 |
1820 |
|
|
3 |
A |
3059 |
2991 |
0.978 |
230 |
1821 |
|
|
4 |
A |
3038 |
2970 |
0.978 |
230 |
1822 |
|
|
5 |
A |
3029 |
2949 |
0.974 |
230 |
1823 |
|
|
6 |
A |
2985 |
2908 |
0.974 |
230 |
1824 |
|
|
7 |
A |
1465 |
1462 |
0.998 |
230 |
1825 |
|
|
8 |
A |
1457 |
1459 |
1.001 |
230 |
1826 |
|
|
9 |
A |
1439 |
1446 |
1.005 |
230 |
1827 |
|
|
10 |
A |
1377 |
1391 |
1.010 |
230 |
1828 |
|
|
11 |
A |
1341 |
1347 |
1.005 |
230 |
1829 |
|
|
12 |
A |
1283 |
1286 |
1.002 |
230 |
1830 |
|
|
13 |
A |
1236 |
1238 |
1.001 |
230 |
1831 |
|
|
14 |
A |
1190 |
1181 |
0.993 |
230 |
1832 |
|
|
15 |
A |
1125 |
1120 |
0.995 |
230 |
1833 |
|
|
16 |
A |
1066 |
1076 |
1.010 |
230 |
1834 |
|
|
17 |
A |
1004 |
1023 |
1.019 |
230 |
1835 |
|
|
18 |
A |
895 |
890 |
0.994 |
230 |
1836 |
|
|
19 |
A |
854 |
850 |
0.996 |
230 |
1837 |
|
|
20 |
A |
714 |
750 |
1.050 |
230 |
1838 |
|
|
21 |
A |
646 |
685 |
1.061 |
230 |
1839 |
|
|
22 |
A |
401 |
417 |
1.040 |
230 |
1840 |
|
|
23 |
A |
341 |
358 |
1.050 |
230 |
1841 |
|
|
24 |
A |
273 |
285 |
1.043 |
230 |
1842 |
|
|
25 |
A |
251 |
250 |
0.995 |
230 |
1843 |
|
|
26 |
A |
199 |
203 |
1.019 |
230 |
1844 |
|
|
27 |
A |
111 |
108 |
0.970 |
230 |
1845 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3061 |
2989 |
0.976 |
231 |
1846 |
|
|
2 |
A1 |
3050 |
2941 |
0.964 |
231 |
1847 |
|
|
3 |
A1 |
2953 |
2911 |
0.986 |
231 |
1848 |
|
|
4 |
A1 |
1680 |
1661 |
0.989 |
231 |
1849 |
|
|
5 |
A1 |
1470 |
1470 |
1.000 |
231 |
1850 |
|
|
6 |
A1 |
1403 |
1416 |
1.009 |
231 |
1851 |
|
|
7 |
A1 |
1375 |
1366 |
0.994 |
231 |
1852 |
|
|
8 |
A1 |
1053 |
1064 |
1.011 |
231 |
1853 |
|
|
9 |
A1 |
808 |
801 |
0.991 |
231 |
1854 |
|
|
10 |
A1 |
369 |
383 |
1.038 |
231 |
1855 |
|
|
11 |
A2 |
2996 |
2970 |
0.991 |
231 |
1856 |
|
|
12 |
A2 |
1437 |
1459 |
1.015 |
231 |
1857 |
|
|
13 |
A2 |
994 |
1076 |
1.083 |
231 |
1858 |
|
|
14 |
A2 |
678 |
|
|
231 |
1859 |
|
|
15 |
A2 |
162 |
193 |
1.190 |
231 |
1860 |
|
|
16 |
B1 |
2998 |
2945 |
0.982 |
231 |
1861 |
|
|
17 |
B1 |
1458 |
1444 |
0.990 |
231 |
1862 |
|
|
18 |
B1 |
1071 |
1079 |
1.007 |
231 |
1863 |
|
|
19 |
B1 |
859 |
890 |
1.036 |
231 |
1864 |
|
|
20 |
B1 |
424 |
429 |
1.012 |
231 |
1865 |
|
|
21 |
B1 |
205 |
196 |
0.955 |
231 |
1866 |
|
|
22 |
B2 |
3142 |
3086 |
0.982 |
231 |
1867 |
|
|
23 |
B2 |
3048 |
2980 |
0.978 |
231 |
1868 |
|
|
24 |
B2 |
2948 |
2893 |
0.981 |
231 |
1869 |
|
|
25 |
B2 |
1452 |
1458 |
1.004 |
231 |
1870 |
|
|
26 |
B2 |
1372 |
1381 |
1.006 |
231 |
1871 |
|
|
27 |
B2 |
1267 |
1282 |
1.012 |
231 |
1872 |
|
|
28 |
B2 |
961 |
1043 |
1.085 |
231 |
1873 |
|
|
29 |
B2 |
937 |
974 |
1.040 |
231 |
1874 |
|
|
30 |
B2 |
426 |
430 |
1.008 |
231 |
1875 |
C6H6 |
Benzene |
1 |
A1g |
3125 |
3062 |
0.980 |
232 |
1876 |
|
|
2 |
A1g |
996 |
992 |
0.996 |
232 |
1877 |
|
|
3 |
A2g |
1336 |
1326 |
0.992 |
232 |
1878 |
|
|
4 |
A2u |
657 |
673 |
1.024 |
232 |
1879 |
|
|
5 |
B1u |
3088 |
3068 |
0.994 |
232 |
1880 |
|
|
6 |
B1u |
992 |
1010 |
1.018 |
232 |
1881 |
|
|
7 |
B2g |
961 |
995 |
1.035 |
232 |
1882 |
|
|
8 |
B2g |
701 |
703 |
1.003 |
232 |
1883 |
|
|
9 |
B2u |
1350 |
1310 |
0.970 |
232 |
1884 |
|
|
10 |
B2u |
1147 |
1150 |
1.003 |
232 |
1885 |
|
|
11 |
E1g |
823 |
849 |
1.032 |
232 |
1886 |
|
|
12 |
E1u |
3114 |
3063 |
0.984 |
232 |
1887 |
|
|
13 |
E1u |
1474 |
1486 |
1.008 |
232 |
1888 |
|
|
14 |
E1u |
1037 |
1038 |
1.001 |
232 |
1889 |
|
|
15 |
E2g |
3098 |
3047 |
0.984 |
232 |
1890 |
|
|
16 |
E2g |
1602 |
1596 |
0.996 |
232 |
1891 |
|
|
17 |
E2g |
1167 |
1178 |
1.009 |
232 |
1892 |
|
|
18 |
E2g |
603 |
606 |
1.005 |
232 |
1893 |
|
|
19 |
E2u |
919 |
975 |
1.060 |
232 |
1894 |
|
|
20 |
E2u |
396 |
410 |
1.035 |
232 |
1895 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3155 |
3088 |
0.979 |
233 |
1896 |
|
|
2 |
A |
3080 |
3017 |
0.980 |
233 |
1897 |
|
|
3 |
A |
3068 |
3011 |
0.981 |
233 |
1898 |
|
|
4 |
A |
3066 |
2990 |
0.975 |
233 |
1899 |
|
|
5 |
A |
3050 |
2974 |
0.975 |
233 |
1900 |
|
|
6 |
A |
3027 |
2967 |
0.980 |
233 |
1901 |
|
|
7 |
A |
2976 |
2927 |
0.984 |
233 |
1902 |
|
|
8 |
A |
1662 |
1645 |
0.990 |
233 |
1903 |
|
|
9 |
A |
1461 |
1452 |
0.994 |
233 |
1904 |
|
|
10 |
A |
1453 |
1447 |
0.996 |
233 |
1905 |
|
|
11 |
A |
1416 |
1424 |
1.005 |
233 |
1906 |
|
|
12 |
A |
1371 |
1375 |
1.003 |
233 |
1907 |
|
|
13 |
A |
1298 |
1297 |
0.999 |
233 |
1908 |
|
|
14 |
A |
1281 |
1283 |
1.002 |
233 |
1909 |
|
|
15 |
A |
1230 |
1233 |
1.003 |
233 |
1910 |
|
|
16 |
A |
1167 |
1174 |
1.006 |
233 |
1911 |
|
|
17 |
A |
1085 |
1090 |
1.004 |
233 |
1912 |
|
|
18 |
A |
1012 |
1025 |
1.013 |
233 |
1913 |
|
|
19 |
A |
986 |
988 |
1.002 |
233 |
1914 |
|
|
20 |
A |
955 |
966 |
1.011 |
233 |
1915 |
|
|
21 |
A |
901 |
931 |
1.033 |
233 |
1916 |
|
|
22 |
A |
853 |
864 |
1.013 |
233 |
1917 |
|
|
23 |
A |
693 |
708 |
1.022 |
233 |
1918 |
|
|
24 |
A |
604 |
625 |
1.035 |
233 |
1919 |
|
|
25 |
A |
444 |
456 |
1.028 |
233 |
1920 |
|
|
26 |
A |
312 |
319 |
1.021 |
233 |
1921 |
|
|
27 |
A |
294 |
305 |
1.036 |
233 |
1922 |
|
|
28 |
A |
272 |
283 |
1.042 |
233 |
1923 |
|
|
29 |
A |
249 |
245 |
0.984 |
233 |
1924 |
|
|
30 |
A |
102 |
92 |
0.900 |
233 |
1925 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3159 |
3095 |
0.980 |
234 |
1926 |
|
|
2 |
A' |
3151 |
3095 |
0.982 |
234 |
1927 |
|
|
3 |
A' |
3077 |
3000 |
0.975 |
234 |
1928 |
|
|
4 |
A' |
3068 |
3000 |
0.978 |
234 |
1929 |
|
|
5 |
A' |
3062 |
3000 |
0.980 |
234 |
1930 |
|
|
6 |
A' |
3056 |
2984 |
0.976 |
234 |
1931 |
|
|
7 |
A' |
2964 |
2904 |
0.980 |
234 |
1932 |
|
|
8 |
A' |
1652 |
1638 |
0.991 |
234 |
1933 |
|
|
9 |
A' |
1616 |
1607 |
0.994 |
234 |
1934 |
|
|
10 |
A' |
1469 |
1464 |
0.997 |
234 |
1935 |
|
|
11 |
A' |
1418 |
1420 |
1.001 |
234 |
1936 |
|
|
12 |
A' |
1393 |
1389 |
0.997 |
234 |
1937 |
|
|
13 |
A' |
1375 |
1363 |
0.992 |
234 |
1938 |
|
|
14 |
A' |
1302 |
1313 |
1.008 |
234 |
1939 |
|
|
15 |
A' |
1288 |
1303 |
1.012 |
234 |
1940 |
|
|
16 |
A' |
1060 |
1072 |
1.012 |
234 |
1941 |
|
|
17 |
A' |
984 |
1012 |
1.028 |
234 |
1942 |
|
|
18 |
A' |
942 |
953 |
1.011 |
234 |
1943 |
|
|
19 |
A' |
784 |
770 |
0.982 |
234 |
1944 |
|
|
20 |
A' |
521 |
530 |
1.017 |
234 |
1945 |
|
|
21 |
A' |
417 |
396 |
0.951 |
234 |
1946 |
|
|
22 |
A' |
270 |
196 |
0.726 |
234 |
1947 |
|
|
23 |
A" |
3016 |
2949 |
0.978 |
234 |
1948 |
|
|
24 |
A" |
1451 |
1451 |
1.000 |
234 |
1949 |
|
|
25 |
A" |
1040 |
1034 |
0.995 |
234 |
1950 |
|
|
26 |
A" |
983 |
991 |
1.008 |
234 |
1951 |
|
|
27 |
A" |
872 |
907 |
1.040 |
234 |
1952 |
|
|
28 |
A" |
863 |
907 |
1.051 |
234 |
1953 |
|
|
29 |
A" |
759 |
757 |
0.997 |
234 |
1954 |
|
|
30 |
A" |
617 |
615 |
0.996 |
234 |
1955 |
|
|
31 |
A" |
394 |
290 |
0.737 |
234 |
1956 |
|
|
32 |
A" |
201 |
153 |
0.761 |
234 |
1957 |
C5H8 |
Cyclopentene |
1 |
A' |
3126 |
3066 |
0.981 |
235 |
1958 |
|
|
2 |
A' |
3035 |
2958 |
0.975 |
235 |
1959 |
|
|
3 |
A' |
2997 |
2916 |
0.973 |
235 |
1960 |
|
|
4 |
A' |
2976 |
2902 |
0.975 |
235 |
1961 |
|
|
5 |
A' |
2932 |
2852 |
0.973 |
235 |
1962 |
|
|
6 |
A' |
1637 |
1616 |
0.987 |
235 |
1963 |
|
|
7 |
A' |
1470 |
1467 |
0.998 |
235 |
1964 |
|
|
8 |
A' |
1445 |
1449 |
1.003 |
235 |
1965 |
|
|
9 |
A' |
1287 |
1302 |
1.012 |
235 |
1966 |
|
|
10 |
A' |
1200 |
1284 |
1.070 |
235 |
1967 |
|
|
11 |
A' |
1095 |
1213 |
1.108 |
235 |
1968 |
|
|
12 |
A' |
1034 |
1048 |
1.014 |
235 |
1969 |
|
|
13 |
A' |
963 |
964 |
1.001 |
235 |
1970 |
|
|
14 |
A' |
896 |
962 |
1.074 |
235 |
1971 |
|
|
15 |
A' |
803 |
904 |
1.126 |
235 |
1972 |
|
|
16 |
A' |
685 |
692 |
1.010 |
235 |
1973 |
|
|
17 |
A' |
591 |
603 |
1.021 |
235 |
1974 |
|
|
18 |
A' |
146 |
254 |
1.742 |
235 |
1975 |
|
|
19 |
A" |
3101 |
3039 |
0.980 |
235 |
1976 |
|
|
20 |
A" |
2986 |
2967 |
0.994 |
235 |
1977 |
|
|
21 |
A" |
2933 |
2927 |
0.998 |
235 |
1978 |
|
|
22 |
A" |
1451 |
1467 |
1.011 |
235 |
1979 |
|
|
23 |
A" |
1340 |
1432 |
1.069 |
235 |
1980 |
|
|
24 |
A" |
1288 |
1356 |
1.053 |
235 |
1981 |
|
|
25 |
A" |
1264 |
1302 |
1.030 |
235 |
1982 |
|
|
26 |
A" |
1191 |
1297 |
1.089 |
235 |
1983 |
|
|
27 |
A" |
1125 |
1207 |
1.073 |
235 |
1984 |
|
|
28 |
A" |
1021 |
1113 |
1.090 |
235 |
1985 |
|
|
29 |
A" |
918 |
1082 |
1.179 |
235 |
1986 |
|
|
30 |
A" |
903 |
937 |
1.037 |
235 |
1987 |
|
|
31 |
A" |
873 |
800 |
0.916 |
235 |
1988 |
|
|
32 |
A" |
763 |
702 |
0.920 |
235 |
1989 |
|
|
33 |
A" |
381 |
387 |
1.014 |
235 |
1990 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3146 |
3080 |
0.979 |
236 |
1991 |
|
|
2 |
A |
3066 |
3012 |
0.982 |
236 |
1992 |
|
|
3 |
A |
3057 |
3012 |
0.985 |
236 |
1993 |
|
|
4 |
A |
2944 |
2900 |
0.985 |
236 |
1994 |
|
|
5 |
A |
1671 |
1644 |
0.984 |
236 |
1995 |
|
|
6 |
A |
1436 |
1433 |
0.998 |
236 |
1996 |
|
|
7 |
A |
1406 |
1413 |
1.005 |
236 |
1997 |
|
|
8 |
A |
1284 |
1295 |
1.008 |
236 |
1998 |
|
|
9 |
A |
1235 |
1263 |
1.023 |
236 |
1999 |
|
|
10 |
A |
1057 |
1120 |
1.059 |
236 |
2000 |
|
|
11 |
A |
993 |
995 |
1.002 |
236 |
2001 |
|
|
12 |
A |
894 |
918 |
1.026 |
236 |
2002 |
|
|
13 |
A |
887 |
876 |
0.988 |
236 |
2003 |
|
|
14 |
A |
663 |
562 |
0.848 |
236 |
2004 |
|
|
15 |
A |
363 |
421 |
1.159 |
236 |
2005 |
|
|
16 |
A |
294 |
137 |
0.466 |
236 |
2006 |
|
|
17 |
A |
86 |
102 |
1.190 |
236 |
2007 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3065 |
2987 |
0.974 |
237 |
2008 |
|
|
2 |
A1 |
3036 |
2941 |
0.969 |
237 |
2009 |
|
|
3 |
A1 |
2955 |
2916 |
0.987 |
237 |
2010 |
|
|
4 |
A1 |
2011 |
1996 |
0.992 |
237 |
2011 |
|
|
5 |
A1 |
1482 |
1470 |
0.992 |
237 |
2012 |
|
|
6 |
A1 |
1431 |
1438 |
1.005 |
237 |
2013 |
|
|
7 |
A1 |
1374 |
1369 |
0.997 |
237 |
2014 |
|
|
8 |
A1 |
1283 |
1286 |
1.002 |
237 |
2015 |
|
|
9 |
A1 |
1000 |
973 |
0.973 |
237 |
2016 |
|
|
10 |
A1 |
726 |
726 |
1.000 |
237 |
2017 |
|
|
11 |
A1 |
332 |
349 |
1.053 |
237 |
2018 |
|
|
12 |
A2 |
3002 |
2941 |
0.980 |
237 |
2019 |
|
|
13 |
A2 |
1441 |
1470 |
1.020 |
237 |
2020 |
|
|
14 |
A2 |
975 |
985 |
1.010 |
237 |
2021 |
|
|
15 |
A2 |
598 |
617 |
1.033 |
237 |
2022 |
|
|
17 |
B1 |
3103 |
3051 |
0.983 |
237 |
2023 |
|
|
18 |
B1 |
3003 |
2941 |
0.979 |
237 |
2024 |
|
|
19 |
B1 |
1460 |
1470 |
1.007 |
237 |
2025 |
|
|
20 |
B1 |
1063 |
1068 |
1.005 |
237 |
2026 |
|
|
21 |
B1 |
994 |
1004 |
1.010 |
237 |
2027 |
|
|
22 |
B1 |
439 |
443 |
1.009 |
237 |
2028 |
|
|
23 |
B1 |
252 |
187 |
0.743 |
237 |
2029 |
|
|
25 |
B2 |
3064 |
2941 |
0.960 |
237 |
2030 |
|
|
26 |
B2 |
2950 |
2916 |
0.988 |
237 |
2031 |
|
|
27 |
B2 |
1449 |
1470 |
1.015 |
237 |
2032 |
|
|
28 |
B2 |
1357 |
1369 |
1.009 |
237 |
2033 |
|
|
29 |
B2 |
1183 |
1191 |
1.007 |
237 |
2034 |
|
|
30 |
B2 |
942 |
968 |
1.028 |
237 |
2035 |
|
|
31 |
B2 |
814 |
848 |
1.042 |
237 |
2036 |
|
|
32 |
B2 |
586 |
554 |
0.945 |
237 |
2037 |
|
|
33 |
B2 |
176 |
187 |
1.061 |
237 |
2038 |
C5H8 |
Spiropentane |
1 |
A1 |
3045 |
3000 |
0.985 |
238 |
2039 |
|
|
2 |
A1 |
1454 |
1423 |
0.979 |
238 |
2040 |
|
|
3 |
A1 |
1064 |
1160 |
1.090 |
238 |
2041 |
|
|
4 |
A1 |
1016 |
1037 |
1.021 |
238 |
2042 |
|
|
5 |
A1 |
598 |
588 |
0.983 |
238 |
2043 |
|
|
6 |
A2 |
3117 |
3070 |
0.985 |
238 |
2044 |
|
|
7 |
A2 |
1140 |
1174 |
1.030 |
238 |
2045 |
|
|
8 |
A2 |
815 |
919 |
1.127 |
238 |
2046 |
|
|
9 |
B1 |
3116 |
3066 |
0.984 |
238 |
2047 |
|
|
10 |
B1 |
1151 |
1166 |
1.013 |
238 |
2048 |
|
|
11 |
B1 |
997 |
888 |
0.891 |
238 |
2049 |
|
|
12 |
B1 |
284 |
300 |
1.055 |
238 |
2050 |
|
|
13 |
B2 |
3044 |
3000 |
0.986 |
238 |
2051 |
|
|
14 |
B2 |
1548 |
1521 |
0.983 |
238 |
2052 |
|
|
15 |
B2 |
1401 |
1415 |
1.010 |
238 |
2053 |
|
|
16 |
B2 |
967 |
990 |
1.023 |
238 |
2054 |
|
|
17 |
B2 |
897 |
872 |
0.972 |
238 |
2055 |
|
|
18 |
E |
3131 |
3067 |
0.980 |
238 |
2056 |
|
|
19 |
E |
3041 |
2985 |
0.981 |
238 |
2057 |
|
|
20 |
E |
1423 |
1431 |
1.006 |
238 |
2058 |
|
|
21 |
E |
1150 |
1150 |
1.000 |
238 |
2059 |
|
|
22 |
E |
1025 |
1049 |
1.023 |
238 |
2060 |
|
|
23 |
E |
873 |
870 |
0.996 |
238 |
2061 |
|
|
24 |
E |
772 |
780 |
1.011 |
238 |
2062 |
|
|
25 |
E |
294 |
308 |
1.049 |
238 |
2063 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
2994 |
2953 |
0.986 |
239 |
2064 |
|
|
2 |
A1 |
2838 |
2775 |
0.978 |
239 |
2065 |
|
|
3 |
A1 |
1469 |
1459 |
0.993 |
239 |
2066 |
|
|
4 |
A1 |
1447 |
1444 |
0.998 |
239 |
2067 |
|
|
5 |
A1 |
1170 |
1186 |
1.013 |
239 |
2068 |
|
|
6 |
A1 |
828 |
828 |
1.000 |
239 |
2069 |
|
|
7 |
A1 |
349 |
367 |
1.050 |
239 |
2070 |
|
|
8 |
A2 |
3036 |
2977 |
0.980 |
239 |
2071 |
|
|
9 |
A2 |
1453 |
1453 |
1.000 |
239 |
2072 |
|
|
10 |
A2 |
1043 |
1046 |
1.003 |
239 |
2073 |
|
|
11 |
A2 |
257 |
255 |
0.992 |
239 |
2074 |
|
|
12 |
E |
3040 |
2981 |
0.981 |
239 |
2075 |
|
|
13 |
E |
2991 |
2953 |
0.987 |
239 |
2076 |
|
|
14 |
E |
2818 |
2776 |
0.985 |
239 |
2077 |
|
|
15 |
E |
1479 |
1471 |
0.995 |
239 |
2078 |
|
|
16 |
E |
1446 |
1444 |
0.998 |
239 |
2079 |
|
|
17 |
E |
1405 |
1409 |
1.003 |
239 |
2080 |
|
|
18 |
E |
1273 |
1275 |
1.002 |
239 |
2081 |
|
|
19 |
E |
1093 |
1103 |
1.010 |
239 |
2082 |
|
|
20 |
E |
1042 |
1043 |
1.001 |
239 |
2083 |
|
|
21 |
E |
413 |
424 |
1.025 |
239 |
2084 |
|
|
22 |
E |
272 |
281 |
1.034 |
239 |
2085 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3047 |
2974 |
0.976 |
240 |
2086 |
|
|
2 |
A' |
3038 |
2953 |
0.972 |
240 |
2087 |
|
|
3 |
A' |
2996 |
2940 |
0.981 |
240 |
2088 |
|
|
4 |
A' |
2967 |
2876 |
0.969 |
240 |
2089 |
|
|
5 |
A' |
2730 |
2757 |
1.010 |
240 |
2090 |
|
|
6 |
A' |
1767 |
1752 |
0.991 |
240 |
2091 |
|
|
7 |
A' |
1481 |
1474 |
0.995 |
240 |
2092 |
|
|
8 |
A' |
1473 |
1449 |
0.984 |
240 |
2093 |
|
|
9 |
A' |
1387 |
1399 |
1.009 |
240 |
2094 |
|
|
10 |
A' |
1371 |
1381 |
1.008 |
240 |
2095 |
|
|
11 |
A' |
1271 |
1329 |
1.046 |
240 |
2096 |
|
|
12 |
A' |
1149 |
1182 |
1.029 |
240 |
2097 |
|
|
13 |
A' |
1145 |
1138 |
0.994 |
240 |
2098 |
|
|
14 |
A' |
899 |
922 |
1.026 |
240 |
2099 |
|
|
15 |
A' |
825 |
800 |
0.969 |
240 |
2100 |
|
|
16 |
A' |
532 |
632 |
1.187 |
240 |
2101 |
|
|
17 |
A' |
342 |
395 |
1.154 |
240 |
2102 |
|
|
18 |
A' |
323 |
272 |
0.842 |
240 |
2103 |
|
|
19 |
A' |
227 |
212 |
0.932 |
240 |
2104 |
|
|
20 |
A" |
3046 |
2990 |
0.982 |
240 |
2105 |
|
|
21 |
A" |
3032 |
2982 |
0.984 |
240 |
2106 |
|
|
22 |
A" |
2964 |
2885 |
0.973 |
240 |
2107 |
|
|
23 |
A" |
1458 |
1467 |
1.006 |
240 |
2108 |
|
|
24 |
A" |
1455 |
1452 |
0.998 |
240 |
2109 |
|
|
25 |
A" |
1359 |
1437 |
1.057 |
240 |
2110 |
|
|
26 |
A" |
1306 |
1290 |
0.988 |
240 |
2111 |
|
|
27 |
A" |
1104 |
1109 |
1.005 |
240 |
2112 |
|
|
28 |
A" |
965 |
965 |
1.000 |
240 |
2113 |
|
|
29 |
A" |
925 |
942 |
1.018 |
240 |
2114 |
|
|
30 |
A" |
907 |
933 |
1.029 |
240 |
2115 |
|
|
31 |
A" |
320 |
351 |
1.096 |
240 |
2116 |
|
|
32 |
A" |
206 |
227 |
1.101 |
240 |
2117 |
|
|
33 |
A" |
65 |
75 |
1.160 |
240 |
2118 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
416 |
1442 |
3.469 |
241 |
2119 |
|
|
|
Ag |
827 |
1151 |
1.392 |
241 |
2120 |
|
|
|
Au |
1261 |
1257 |
0.997 |
241 |
2121 |
|
|
|
Bg |
1468 |
1300 |
0.886 |
241 |
2122 |
|
|
|
Bu |
2951 |
2870 |
0.972 |
241 |
2123 |
|
|
|
Bu |
2962 |
2853 |
0.963 |
241 |
2124 |
|
|
|
Bu |
3035 |
271 |
0.089 |
241 |
2125 |
C4H9N |
Pyrrolidine |
1 |
A' |
3430 |
3356 |
0.978 |
242 |
2126 |
|
|
2 |
A' |
3052 |
2975 |
0.975 |
242 |
2127 |
|
|
3 |
A' |
3012 |
2927 |
0.972 |
242 |
2128 |
|
|
4 |
A' |
2999 |
2889 |
0.963 |
242 |
2129 |
|
|
5 |
A' |
2838 |
2824 |
0.995 |
242 |
2130 |
|
|
6 |
A' |
1493 |
1484 |
0.994 |
242 |
2131 |
|
|
7 |
A' |
1469 |
1447 |
0.985 |
242 |
2132 |
|
|
8 |
A' |
1357 |
1292 |
0.952 |
242 |
2133 |
|
|
9 |
A' |
1285 |
1273 |
0.991 |
242 |
2134 |
|
|
10 |
A' |
1213 |
1228 |
1.012 |
242 |
2135 |
|
|
11 |
A' |
1197 |
1181 |
0.986 |
242 |
2136 |
|
|
12 |
A' |
1050 |
974 |
0.928 |
242 |
2137 |
|
|
13 |
A' |
992 |
920 |
0.927 |
242 |
2138 |
|
|
14 |
A' |
929 |
901 |
0.970 |
242 |
2139 |
|
|
15 |
A' |
892 |
871 |
0.976 |
242 |
2140 |
|
|
16 |
A' |
862 |
832 |
0.965 |
242 |
2141 |
|
|
17 |
A' |
748 |
789 |
1.055 |
242 |
2142 |
|
|
18 |
A' |
566 |
579 |
1.023 |
242 |
2143 |
|
|
19 |
A' |
303 |
299 |
0.986 |
242 |
2144 |
|
|
20 |
A" |
3030 |
2967 |
0.979 |
242 |
2145 |
|
|
21 |
A" |
3005 |
2916 |
0.971 |
242 |
2146 |
|
|
22 |
A" |
2992 |
2879 |
0.962 |
242 |
2147 |
|
|
23 |
A" |
2833 |
2818 |
0.995 |
242 |
2148 |
|
|
24 |
A" |
1473 |
1459 |
0.991 |
242 |
2149 |
|
|
25 |
A" |
1449 |
1412 |
0.975 |
242 |
2150 |
|
|
26 |
A" |
1402 |
1341 |
0.956 |
242 |
2151 |
|
|
27 |
A" |
1291 |
1268 |
0.982 |
242 |
2152 |
|
|
28 |
A" |
1267 |
1211 |
0.956 |
242 |
2153 |
|
|
29 |
A" |
1215 |
1203 |
0.990 |
242 |
2154 |
|
|
30 |
A" |
1167 |
1171 |
1.004 |
242 |
2155 |
|
|
31 |
A" |
1104 |
1099 |
0.995 |
242 |
2156 |
|
|
32 |
A" |
1079 |
1023 |
0.948 |
242 |
2157 |
|
|
33 |
A" |
918 |
883 |
0.961 |
242 |
2158 |
|
|
34 |
A" |
853 |
848 |
0.994 |
242 |
2159 |
|
|
35 |
A" |
619 |
600 |
0.969 |
242 |
2160 |
|
|
36 |
A" |
79 |
65 |
0.826 |
242 |
2161 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3376 |
3345 |
0.991 |
243 |
2162 |
|
|
2 |
A' |
3065 |
2975 |
0.971 |
243 |
2163 |
|
|
3 |
A' |
3031 |
2950 |
0.973 |
243 |
2164 |
|
|
4 |
A' |
3003 |
2918 |
0.972 |
243 |
2165 |
|
|
5 |
A' |
2985 |
2905 |
0.973 |
243 |
2166 |
|
|
6 |
A' |
2877 |
2887 |
1.004 |
243 |
2167 |
|
|
7 |
A' |
1659 |
1614 |
0.973 |
243 |
2168 |
|
|
8 |
A' |
1464 |
1467 |
1.002 |
243 |
2169 |
|
|
9 |
A' |
1438 |
1443 |
1.004 |
243 |
2170 |
|
|
10 |
A' |
1342 |
1390 |
1.036 |
243 |
2171 |
|
|
11 |
A' |
1247 |
1291 |
1.035 |
243 |
2172 |
|
|
12 |
A' |
1211 |
1237 |
1.021 |
243 |
2173 |
|
|
13 |
A' |
1127 |
1137 |
1.009 |
243 |
2174 |
|
|
14 |
A' |
1067 |
1120 |
1.050 |
243 |
2175 |
|
|
15 |
A' |
955 |
1050 |
1.100 |
243 |
2176 |
|
|
16 |
A' |
872 |
965 |
1.107 |
243 |
2177 |
|
|
17 |
A' |
848 |
788 |
0.929 |
243 |
2178 |
|
|
18 |
A' |
805 |
752 |
0.934 |
243 |
2179 |
|
|
19 |
A' |
649 |
606 |
0.933 |
243 |
2180 |
|
|
20 |
A' |
394 |
448 |
1.137 |
243 |
2181 |
|
|
21 |
A' |
157 |
174 |
1.107 |
243 |
2182 |
|
|
22 |
A" |
3455 |
3411 |
0.987 |
243 |
2183 |
|
|
23 |
A" |
3036 |
2970 |
0.978 |
243 |
2184 |
|
|
24 |
A" |
2981 |
2957 |
0.992 |
243 |
2185 |
|
|
25 |
A" |
1431 |
1452 |
1.015 |
243 |
2186 |
|
|
26 |
A" |
1315 |
1213 |
0.922 |
243 |
2187 |
|
|
27 |
A" |
1240 |
1185 |
0.956 |
243 |
2188 |
|
|
28 |
A" |
1220 |
1168 |
0.958 |
243 |
2189 |
|
|
29 |
A" |
1195 |
1036 |
0.867 |
243 |
2190 |
|
|
30 |
A" |
1134 |
|
|
243 |
2191 |
|
|
31 |
A" |
1012 |
925 |
0.914 |
243 |
2192 |
|
|
32 |
A" |
931 |
912 |
0.979 |
243 |
2193 |
|
|
33 |
A" |
903 |
883 |
0.978 |
243 |
2194 |
|
|
34 |
A" |
751 |
788 |
1.049 |
243 |
2195 |
|
|
35 |
A" |
383 |
354 |
0.923 |
243 |
2196 |
|
|
36 |
A" |
279 |
240 |
0.861 |
243 |
2197 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3023 |
2968 |
0.982 |
244 |
2198 |
|
|
2 |
Ag |
2895 |
2856 |
0.987 |
244 |
2199 |
|
|
3 |
Ag |
1447 |
1444 |
0.998 |
244 |
2200 |
|
|
4 |
Ag |
1378 |
1397 |
1.014 |
244 |
2201 |
|
|
5 |
Ag |
1300 |
1305 |
1.004 |
244 |
2202 |
|
|
6 |
Ag |
1110 |
1128 |
1.017 |
244 |
2203 |
|
|
7 |
Ag |
995 |
1015 |
1.020 |
244 |
2204 |
|
|
8 |
Ag |
826 |
837 |
1.013 |
244 |
2205 |
|
|
9 |
Ag |
424 |
435 |
1.026 |
244 |
2206 |
|
|
10 |
Ag |
411 |
424 |
1.031 |
244 |
2207 |
|
|
11 |
Au |
3021 |
2970 |
0.983 |
244 |
2208 |
|
|
12 |
Au |
2886 |
2863 |
0.992 |
244 |
2209 |
|
|
13 |
Au |
1434 |
1449 |
1.010 |
244 |
2210 |
|
|
14 |
Au |
1346 |
1369 |
1.017 |
244 |
2211 |
|
|
15 |
Au |
1249 |
1256 |
1.005 |
244 |
2212 |
|
|
16 |
Au |
1101 |
1136 |
1.032 |
244 |
2213 |
|
|
17 |
Au |
1076 |
1086 |
1.009 |
244 |
2214 |
|
|
18 |
Au |
870 |
881 |
1.013 |
244 |
2215 |
|
|
19 |
Au |
240 |
288 |
1.200 |
244 |
2216 |
|
|
20 |
Bg |
3021 |
2968 |
0.983 |
244 |
2217 |
|
|
21 |
Bg |
2899 |
2856 |
0.985 |
244 |
2218 |
|
|
22 |
Bg |
1433 |
1459 |
1.018 |
244 |
2219 |
|
|
23 |
Bg |
1316 |
1335 |
1.014 |
244 |
2220 |
|
|
24 |
Bg |
1210 |
1217 |
1.006 |
244 |
2221 |
|
|
25 |
Bg |
1092 |
1110 |
1.017 |
244 |
2222 |
|
|
26 |
Bg |
837 |
853 |
1.019 |
244 |
2223 |
|
|
27 |
Bg |
469 |
490 |
1.045 |
244 |
2224 |
|
|
28 |
Bu |
3021 |
2970 |
0.983 |
244 |
2225 |
|
|
29 |
Bu |
2904 |
2863 |
0.986 |
244 |
2226 |
|
|
30 |
Bu |
1441 |
1457 |
1.011 |
244 |
2227 |
|
|
31 |
Bu |
1366 |
1378 |
1.008 |
244 |
2228 |
|
|
32 |
Bu |
1288 |
1291 |
1.003 |
244 |
2229 |
|
|
33 |
Bu |
1038 |
1052 |
1.013 |
244 |
2230 |
|
|
34 |
Bu |
867 |
889 |
1.026 |
244 |
2231 |
|
|
35 |
Bu |
588 |
610 |
1.038 |
244 |
2232 |
|
|
36 |
Bu |
265 |
274 |
1.036 |
244 |
2233 |
C8H8 |
cubane |
1 |
A1g |
3055 |
2995 |
0.980 |
245 |
2234 |
|
|
2 |
A1g |
1008 |
1002 |
0.994 |
245 |
2235 |
|
|
3 |
A2u |
3017 |
2978 |
0.987 |
245 |
2236 |
|
|
4 |
A2u |
1004 |
839 |
0.835 |
245 |
2237 |
|
|
5 |
Eg |
1084 |
1083 |
0.999 |
245 |
2238 |
|
|
6 |
Eg |
900 |
912 |
1.013 |
245 |
2239 |
|
|
7 |
Eu |
1134 |
1151 |
1.015 |
245 |
2240 |
|
|
8 |
Eu |
599 |
617 |
1.029 |
245 |
2241 |
|
|
9 |
T1g |
1116 |
1130 |
1.013 |
245 |
2242 |
|
|
10 |
T1u |
3035 |
2978 |
0.981 |
245 |
2243 |
|
|
11 |
T1u |
1229 |
1230 |
1.001 |
245 |
2244 |
|
|
12 |
T1u |
853 |
853 |
1.001 |
245 |
2245 |
|
|
13 |
T2g |
3028 |
2970 |
0.981 |
245 |
2246 |
|
|
14 |
T2g |
1180 |
1182 |
1.001 |
245 |
2247 |
|
|
15 |
T2g |
821 |
821 |
1.000 |
245 |
2248 |
|
|
16 |
T2g |
655 |
665 |
1.015 |
245 |
2249 |
|
|
17 |
T2u |
1035 |
1036 |
1.001 |
245 |
2250 |
|
|
18 |
T2u |
821 |
829 |
1.010 |
245 |
2251 |
C5H12 |
Pentane |
1 |
A1 |
3035 |
2973 |
0.980 |
246 |
2252 |
|
|
2 |
A1 |
2963 |
2892 |
0.976 |
246 |
2253 |
|
|
3 |
A1 |
2954 |
2866 |
0.970 |
246 |
2254 |
|
|
4 |
A1 |
2935 |
2866 |
0.977 |
246 |
2255 |
|
|
5 |
A1 |
1480 |
1480 |
1.000 |
246 |
2256 |
|
|
6 |
A1 |
1464 |
1463 |
0.999 |
246 |
2257 |
|
|
7 |
A1 |
1448 |
1450 |
1.001 |
246 |
2258 |
|
|
8 |
A1 |
1375 |
1379 |
1.003 |
246 |
2259 |
|
|
9 |
A1 |
1327 |
1346 |
1.014 |
246 |
2260 |
|
|
10 |
A1 |
1134 |
1144 |
1.009 |
246 |
2261 |
|
|
11 |
A1 |
1035 |
1036 |
1.001 |
246 |
2262 |
|
|
12 |
A1 |
855 |
867 |
1.014 |
246 |
2263 |
|
|
13 |
A1 |
390 |
401 |
1.028 |
246 |
2264 |
|
|
14 |
A1 |
172 |
179 |
1.043 |
246 |
2265 |
|
|
15 |
A2 |
3029 |
2967 |
0.980 |
246 |
2266 |
|
|
16 |
A2 |
2976 |
2908 |
0.977 |
246 |
2267 |
|
|
17 |
A2 |
1470 |
1462 |
0.995 |
246 |
2268 |
|
|
18 |
A2 |
1306 |
1346 |
1.031 |
246 |
2269 |
|
|
19 |
A2 |
1236 |
1269 |
1.026 |
246 |
2270 |
|
|
20 |
A2 |
973 |
993 |
1.020 |
246 |
2271 |
|
|
21 |
A2 |
746 |
766 |
1.027 |
246 |
2272 |
|
|
22 |
A2 |
243 |
210 |
0.865 |
246 |
2273 |
|
|
23 |
A2 |
112 |
131 |
1.165 |
246 |
2274 |
|
|
24 |
B1 |
3030 |
2965 |
0.978 |
246 |
2275 |
|
|
25 |
B1 |
2994 |
2930 |
0.979 |
246 |
2276 |
|
|
26 |
B1 |
2957 |
2930 |
0.991 |
246 |
2277 |
|
|
27 |
B1 |
1468 |
1469 |
1.000 |
246 |
2278 |
|
|
28 |
B1 |
1300 |
1303 |
1.002 |
246 |
2279 |
|
|
29 |
B1 |
1172 |
1170 |
0.998 |
246 |
2280 |
|
|
30 |
B1 |
847 |
858 |
1.013 |
246 |
2281 |
|
|
31 |
B1 |
715 |
727 |
1.017 |
246 |
2282 |
|
|
32 |
B1 |
235 |
215 |
0.917 |
246 |
2283 |
|
|
33 |
B1 |
116 |
88 |
0.760 |
246 |
2284 |
|
|
34 |
B2 |
3034 |
2965 |
0.977 |
246 |
2285 |
|
|
35 |
B2 |
2962 |
2879 |
0.972 |
246 |
2286 |
|
|
36 |
B2 |
2946 |
2866 |
0.973 |
246 |
2287 |
|
|
37 |
B2 |
1474 |
1476 |
1.001 |
246 |
2288 |
|
|
38 |
B2 |
1453 |
1456 |
1.002 |
246 |
2289 |
|
|
39 |
B2 |
1374 |
1389 |
1.011 |
246 |
2290 |
|
|
40 |
B2 |
1359 |
1379 |
1.015 |
246 |
2291 |
|
|
41 |
B2 |
1253 |
1269 |
1.013 |
246 |
2292 |
|
|
42 |
B2 |
1061 |
1073 |
1.011 |
246 |
2293 |
|
|
43 |
B2 |
1018 |
1024 |
1.006 |
246 |
2294 |
|
|
44 |
B2 |
913 |
910 |
0.997 |
246 |
2295 |
|
|
45 |
B2 |
385 |
406 |
1.054 |
246 |
2296 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
2965 |
2909 |
0.981 |
247 |
2297 |
|
|
2 |
A1 |
1400 |
1381 |
0.986 |
247 |
2298 |
|
|
3 |
A1 |
725 |
733 |
1.011 |
247 |
2299 |
|
|
4 |
A2 |
255 |
198 |
0.778 |
247 |
2300 |
|
|
5 |
E |
3029 |
2955 |
0.976 |
247 |
2301 |
|
|
6 |
E |
1462 |
1451 |
0.993 |
247 |
2302 |
|
|
7 |
E |
1065 |
999 |
0.938 |
247 |
2303 |
|
|
8 |
E |
332 |
335 |
1.010 |
247 |
2304 |
|
|
9 |
T1 |
3027 |
2975 |
0.983 |
247 |
2305 |
|
|
10 |
T1 |
1454 |
1461 |
1.005 |
247 |
2306 |
|
|
11 |
T1 |
940 |
932 |
0.991 |
247 |
2307 |
|
|
12 |
T1 |
321 |
203 |
0.633 |
247 |
2308 |
|
|
13 |
T2 |
3032 |
2959 |
0.976 |
247 |
2309 |
|
|
14 |
T2 |
2956 |
2876 |
0.973 |
247 |
2310 |
|
|
15 |
T2 |
1494 |
1475 |
0.987 |
247 |
2311 |
|
|
16 |
T2 |
1360 |
1372 |
1.009 |
247 |
2312 |
|
|
17 |
T2 |
1245 |
1256 |
1.009 |
247 |
2313 |
|
|
18 |
T2 |
921 |
925 |
1.004 |
247 |
2314 |
|
|
19 |
T2 |
414 |
418 |
1.010 |
247 |
2315 |
C5H11N |
Piperidine |
1 |
A' |
3425 |
3341 |
0.975 |
248 |
2316 |
|
|
2 |
A' |
3012 |
2947 |
0.979 |
248 |
2317 |
|
|
3 |
A' |
2999 |
2931 |
0.977 |
248 |
2318 |
|
|
4 |
A' |
2995 |
2917 |
0.974 |
248 |
2319 |
|
|
5 |
A' |
2962 |
2892 |
0.976 |
248 |
2320 |
|
|
6 |
A' |
2943 |
2850 |
0.968 |
248 |
2321 |
|
|
7 |
A' |
2813 |
2730 |
0.970 |
248 |
2322 |
|
|
8 |
A' |
1465 |
1476 |
1.008 |
248 |
2323 |
|
|
9 |
A' |
1452 |
1452 |
1.000 |
248 |
2324 |
|
|
10 |
A' |
1445 |
1444 |
1.000 |
248 |
2325 |
|
|
11 |
A' |
1381 |
1386 |
1.004 |
248 |
2326 |
|
|
12 |
A' |
1338 |
1365 |
1.020 |
248 |
2327 |
|
|
13 |
A' |
1283 |
1346 |
1.049 |
248 |
2328 |
|
|
14 |
A' |
1259 |
1266 |
1.006 |
248 |
2329 |
|
|
15 |
A' |
1130 |
1164 |
1.030 |
248 |
2330 |
|
|
16 |
A' |
1044 |
1035 |
0.991 |
248 |
2331 |
|
|
17 |
A' |
1028 |
1006 |
0.979 |
248 |
2332 |
|
|
18 |
A' |
897 |
906 |
1.010 |
248 |
2333 |
|
|
19 |
A' |
848 |
853 |
1.006 |
248 |
2334 |
|
|
20 |
A' |
813 |
822 |
1.011 |
248 |
2335 |
|
|
21 |
A' |
753 |
743 |
0.987 |
248 |
2336 |
|
|
22 |
A' |
529 |
546 |
1.032 |
248 |
2337 |
|
|
23 |
A' |
424 |
432 |
1.019 |
248 |
2338 |
|
|
24 |
A' |
389 |
404 |
1.039 |
248 |
2339 |
|
|
25 |
A' |
243 |
246 |
1.010 |
248 |
2340 |
|
|
26 |
A" |
3007 |
2940 |
0.978 |
248 |
2341 |
|
|
27 |
A" |
2996 |
2902 |
0.969 |
248 |
2342 |
|
|
28 |
A" |
2963 |
2850 |
0.962 |
248 |
2343 |
|
|
29 |
A" |
2805 |
2803 |
0.999 |
248 |
2344 |
|
|
30 |
A" |
1457 |
1468 |
1.008 |
248 |
2345 |
|
|
31 |
A" |
1449 |
1460 |
1.008 |
248 |
2346 |
|
|
32 |
A" |
1433 |
1436 |
1.002 |
248 |
2347 |
|
|
33 |
A" |
1339 |
1332 |
0.995 |
248 |
2348 |
|
|
34 |
A" |
1321 |
1318 |
0.998 |
248 |
2349 |
|
|
35 |
A" |
1306 |
1285 |
0.984 |
248 |
2350 |
|
|
36 |
A" |
1265 |
1258 |
0.994 |
248 |
2351 |
|
|
37 |
A" |
1157 |
1191 |
1.030 |
248 |
2352 |
|
|
38 |
A" |
1139 |
1146 |
1.006 |
248 |
2353 |
|
|
39 |
A" |
1111 |
1115 |
1.004 |
248 |
2354 |
|
|
40 |
A" |
1045 |
1052 |
1.007 |
248 |
2355 |
|
|
41 |
A" |
955 |
964 |
1.010 |
248 |
2356 |
|
|
42 |
A" |
868 |
874 |
1.006 |
248 |
2357 |
|
|
43 |
A" |
795 |
810 |
1.018 |
248 |
2358 |
|
|
44 |
A" |
439 |
445 |
1.014 |
248 |
2359 |
|
|
45 |
A" |
241 |
254 |
1.052 |
248 |
2360 |
C6H14 |
Hexane |
1 |
Ag |
3033 |
2966 |
0.978 |
249 |
2361 |
|
|
2 |
Ag |
2961 |
2877 |
0.972 |
249 |
2362 |
|
|
3 |
Ag |
2948 |
2863 |
0.971 |
249 |
2363 |
|
|
4 |
Ag |
2932 |
2852 |
0.973 |
249 |
2364 |
|
|
5 |
Ag |
1476 |
1460 |
0.989 |
249 |
2365 |
|
|
6 |
Ag |
1456 |
1460 |
1.003 |
249 |
2366 |
|
|
7 |
Ag |
1446 |
1440 |
0.996 |
249 |
2367 |
|
|
8 |
Ag |
1374 |
1397 |
1.016 |
249 |
2368 |
|
|
9 |
Ag |
1359 |
1366 |
1.005 |
249 |
2369 |
|
|
10 |
Ag |
1298 |
1305 |
1.006 |
249 |
2370 |
|
|
11 |
Ag |
1131 |
1140 |
1.008 |
249 |
2371 |
|
|
12 |
Ag |
1060 |
1065 |
1.005 |
249 |
2372 |
|
|
13 |
Ag |
1004 |
1007 |
1.003 |
249 |
2373 |
|
|
14 |
Ag |
885 |
901 |
1.018 |
249 |
2374 |
|
|
15 |
Ag |
359 |
371 |
1.035 |
249 |
2375 |
|
|
16 |
Ag |
287 |
305 |
1.061 |
249 |
2376 |
|
|
17 |
Au |
3028 |
2967 |
0.980 |
249 |
2377 |
|
|
18 |
Au |
2994 |
2936 |
0.981 |
249 |
2378 |
|
|
19 |
Au |
2965 |
2920 |
0.985 |
249 |
2379 |
|
|
20 |
Au |
1470 |
1460 |
0.993 |
249 |
2380 |
|
|
21 |
Au |
1308 |
1303 |
0.996 |
249 |
2381 |
|
|
22 |
Au |
1221 |
1222 |
1.001 |
249 |
2382 |
|
|
23 |
Au |
993 |
1010 |
1.017 |
249 |
2383 |
|
|
24 |
Au |
785 |
824 |
1.049 |
249 |
2384 |
|
|
25 |
Au |
712 |
726 |
1.020 |
249 |
2385 |
|
|
26 |
Au |
250 |
216 |
0.866 |
249 |
2386 |
|
|
27 |
Au |
100 |
94 |
0.938 |
249 |
2387 |
|
|
28 |
Au |
71 |
61 |
0.859 |
249 |
2388 |
|
|
29 |
Bg |
3028 |
2966 |
0.980 |
249 |
2389 |
|
|
30 |
Bg |
2981 |
2908 |
0.975 |
249 |
2390 |
|
|
31 |
Bg |
2953 |
2908 |
0.985 |
249 |
2391 |
|
|
32 |
Bg |
1470 |
1460 |
0.993 |
249 |
2392 |
|
|
33 |
Bg |
1304 |
1305 |
1.001 |
249 |
2393 |
|
|
34 |
Bg |
1278 |
1283 |
1.004 |
249 |
2394 |
|
|
35 |
Bg |
1170 |
1168 |
0.998 |
249 |
2395 |
|
|
36 |
Bg |
885 |
894 |
1.010 |
249 |
2396 |
|
|
37 |
Bg |
725 |
740 |
1.020 |
249 |
2397 |
|
|
38 |
Bg |
239 |
208 |
0.871 |
249 |
2398 |
|
|
39 |
Bg |
144 |
125 |
0.871 |
249 |
2399 |
|
|
40 |
Bu |
3033 |
2967 |
0.978 |
249 |
2400 |
|
|
41 |
Bu |
2961 |
2884 |
0.974 |
249 |
2401 |
|
|
42 |
Bu |
2952 |
2867 |
0.971 |
249 |
2402 |
|
|
43 |
Bu |
2936 |
2851 |
0.971 |
249 |
2403 |
|
|
44 |
Bu |
1479 |
1476 |
0.998 |
249 |
2404 |
|
|
45 |
Bu |
1466 |
1465 |
0.999 |
249 |
2405 |
|
|
46 |
Bu |
1447 |
1452 |
1.003 |
249 |
2406 |
|
|
47 |
Bu |
1372 |
1387 |
1.011 |
249 |
2407 |
|
|
48 |
Bu |
1346 |
1375 |
1.022 |
249 |
2408 |
|
|
49 |
Bu |
1234 |
1249 |
1.012 |
249 |
2409 |
|
|
50 |
Bu |
1057 |
1061 |
1.003 |
249 |
2410 |
|
|
51 |
Bu |
1036 |
1035 |
0.999 |
249 |
2411 |
|
|
52 |
Bu |
876 |
888 |
1.013 |
249 |
2412 |
|
|
53 |
Bu |
452 |
470 |
1.039 |
249 |
2413 |
|
|
54 |
Bu |
129 |
139 |
1.080 |
249 |
2414 |