H2 |
Hydrogen diatomic |
1 |
Σg |
4381 |
4161 |
0.950 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1348 |
1360 |
1.009 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
346 |
346 |
1.001 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1138 |
1133 |
0.996 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
157 |
158 |
1.005 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
2079 |
1987 |
0.955 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1451 |
1432 |
0.987 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2367 |
2269 |
0.959 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1693 |
1625 |
0.960 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2837 |
2733 |
0.964 |
10 |
10 |
|
|
1 |
Σ |
3202 |
|
|
10 |
11 |
C2 |
Carbon diatomic |
1 |
Σg |
1932 |
1827 |
0.946 |
11 |
12 |
SiH |
Silylidyne |
1 |
Σ |
2049 |
1971 |
0.962 |
12 |
13 |
Si2 |
Silicon diatomic |
1 |
Σg |
521 |
507 |
0.973 |
13 |
14 |
NH |
Imidogen |
1 |
Σ |
3265 |
3126 |
0.957 |
14 |
15 |
CN |
Cyano radical |
1 |
Σ |
2663 |
2042 |
0.767 |
15 |
16 |
N2 |
Nitrogen diatomic |
1 |
Σg |
1726 |
2330 |
1.350 |
16 |
17 |
|
|
1 |
Σg |
1819 |
1733 |
0.953 |
16 |
18 |
SiN |
Silicon nitride |
1 |
Σ |
1359 |
1138 |
0.838 |
17 |
19 |
PH |
phosphorus monohydride |
1 |
Σ |
2355 |
2276 |
0.967 |
18 |
20 |
|
|
1 |
Σ |
2385 |
2319 |
0.972 |
18 |
21 |
CP |
Carbon monophosphide |
1 |
Σ |
1186 |
1226 |
1.034 |
19 |
22 |
PN |
Phosphorus mononitride |
1 |
Σ |
1379 |
1323 |
0.959 |
20 |
23 |
P2 |
Phosphorus diatomic |
1 |
Σg |
803 |
775 |
0.965 |
21 |
24 |
OH |
Hydroxyl radical |
1 |
Σ |
3681 |
3570 |
0.970 |
22 |
25 |
LiO |
lithium oxide |
1 |
Σ |
856 |
799 |
0.933 |
23 |
26 |
BeO |
beryllium oxide |
1 |
Σ |
1578 |
1435 |
0.909 |
24 |
27 |
BO |
boron monoxide |
1 |
Σ |
1998 |
1862 |
0.932 |
25 |
28 |
CO |
Carbon monoxide |
1 |
Σ |
2251 |
2143 |
0.952 |
26 |
29 |
|
|
1 |
Σ |
2325 |
|
|
26 |
30 |
NaO |
sodium monoxide |
1 |
Σ |
575 |
|
|
27 |
31 |
MgO |
magnesium oxide |
1 |
Σ |
841 |
775 |
0.922 |
28 |
32 |
SiO |
Silicon monoxide |
1 |
Σ |
1292 |
1230 |
0.952 |
29 |
33 |
HS |
Mercapto radical |
1 |
Σ |
2697 |
2599 |
0.964 |
30 |
34 |
BeS |
beryllium sulfide |
1 |
Σ |
1044 |
986 |
0.944 |
31 |
35 |
BS |
boron sulfide |
1 |
Σ |
1240 |
1167 |
0.942 |
32 |
36 |
CS |
carbon monosulfide |
1 |
Σ |
1364 |
1272 |
0.932 |
33 |
37 |
SO |
Sulfur monoxide |
1 |
Σ |
1175 |
1138 |
0.968 |
34 |
38 |
|
|
1 |
Σ |
1110 |
1054 |
0.950 |
34 |
39 |
MgS |
magnesium sulfide |
1 |
Σ |
520 |
523 |
1.007 |
35 |
40 |
AlS |
Aluminum sulfide |
1 |
Σ |
635 |
610 |
0.961 |
36 |
41 |
SiS |
silicon monosulfide |
1 |
Σ |
787 |
744 |
0.946 |
37 |
42 |
S2 |
Sulfur diatomic |
1 |
Σg |
736 |
720 |
0.979 |
38 |
43 |
HF |
Hydrogen fluoride |
1 |
Σ |
4044 |
3961 |
0.980 |
39 |
44 |
LiF |
lithium fluoride |
1 |
Σ |
1011 |
896 |
0.886 |
40 |
45 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1293 |
|
|
41 |
46 |
CF |
Fluoromethylidyne |
1 |
Σ |
1343 |
1286 |
0.958 |
42 |
47 |
NF |
nitrogen fluoride |
1 |
Σ |
1180 |
1123 |
0.952 |
43 |
48 |
F2 |
Fluorine diatomic |
1 |
Σg |
1005 |
894 |
0.889 |
44 |
49 |
NaF |
sodium fluoride |
1 |
Σ |
587 |
529 |
0.900 |
45 |
50 |
MgF |
Magnesium monofluoride |
1 |
Σ |
762 |
|
|
46 |
51 |
AlF |
Aluminum monofluoride |
1 |
Σ |
846 |
793 |
0.937 |
47 |
52 |
SiF |
silicon monofluoride |
1 |
Σ |
893 |
848 |
0.949 |
48 |
53 |
PF |
phosphorus monofluoride |
1 |
Σ |
872 |
838 |
0.960 |
49 |
54 |
SF |
Monosulfur monofluoride |
1 |
Σ |
859 |
829 |
0.965 |
50 |
55 |
HCl |
Hydrogen chloride |
1 |
Σ |
2996 |
2886 |
0.963 |
51 |
56 |
LiCl |
lithium chloride |
1 |
Σ |
637 |
634 |
0.996 |
52 |
57 |
BeCl |
beryllium monochloride |
1 |
Σ |
882 |
847 |
0.960 |
53 |
58 |
BCl |
boron monochloride |
1 |
Σ |
864 |
829 |
0.960 |
54 |
59 |
CCl |
carbon monochloride |
1 |
Σ |
881 |
866 |
0.983 |
55 |
60 |
ClO |
Monochlorine monoxide |
1 |
Σ |
832 |
843 |
1.012 |
56 |
61 |
ClF |
Chlorine monofluoride |
1 |
Σ |
802 |
773 |
0.964 |
57 |
62 |
NaCl |
Sodium Chloride |
1 |
Σ |
371 |
361 |
0.975 |
58 |
63 |
MgCl |
magnesium monochloride |
1 |
Σ |
472 |
|
|
59 |
64 |
AlCl |
Aluminum monochloride |
1 |
Σ |
499 |
478 |
0.958 |
60 |
65 |
SiCl |
Clorosilylidyne |
1 |
Σ |
544 |
531 |
0.977 |
61 |
66 |
PCl |
phosphorus chloride |
1 |
Σ |
546 |
547 |
1.002 |
62 |
67 |
SCl |
sulfur monochloride |
1 |
Σ |
562 |
577 |
1.027 |
63 |
68 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
531 |
554 |
1.043 |
64 |
69 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2274 |
2159 |
0.950 |
65 |
70 |
|
|
3 |
Πu |
722 |
698 |
0.967 |
65 |
71 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1594 |
1572 |
0.986 |
66 |
72 |
|
|
3 |
Πu |
448 |
440 |
0.981 |
66 |
73 |
BH2 |
boron dihydride |
2 |
A1 |
1056 |
954 |
0.903 |
67 |
74 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1852 |
1770 |
0.956 |
68 |
75 |
|
|
2 |
A1 |
770 |
760 |
0.987 |
68 |
76 |
|
|
3 |
B2 |
1892 |
1807 |
0.955 |
68 |
77 |
SiH2 |
silicon dihydride |
1 |
A1 |
2088 |
1996 |
0.956 |
69 |
78 |
|
|
2 |
A1 |
1034 |
999 |
0.966 |
69 |
79 |
|
|
3 |
B2 |
2094 |
1993 |
0.952 |
69 |
80 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3501 |
3312 |
0.946 |
70 |
81 |
|
|
2 |
Σ |
2201 |
2089 |
0.949 |
70 |
82 |
|
|
3 |
Π |
736 |
712 |
0.968 |
70 |
83 |
PH2 |
Phosphino radical |
1 |
A1 |
2405 |
2310 |
0.960 |
71 |
84 |
|
|
2 |
A1 |
1156 |
1102 |
0.954 |
71 |
85 |
HCP |
Phosphaethyne |
1 |
Σ |
3398 |
3217 |
0.947 |
72 |
86 |
|
|
2 |
Σ |
1341 |
1278 |
0.953 |
72 |
87 |
|
|
3 |
Π |
710 |
674 |
0.949 |
72 |
88 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2216 |
2095 |
0.945 |
73 |
89 |
|
|
2 |
A' |
1217 |
1188 |
0.976 |
73 |
90 |
|
|
3 |
A' |
1034 |
986 |
0.953 |
73 |
91 |
H2O |
Water |
1 |
A1 |
3774 |
3657 |
0.969 |
74 |
92 |
|
|
2 |
A1 |
1747 |
1595 |
0.913 |
74 |
93 |
|
|
3 |
B2 |
3900 |
3756 |
0.963 |
74 |
94 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1287 |
1246 |
0.968 |
75 |
95 |
HBO |
Boron hydride oxide |
1 |
Σ |
2944 |
2850 |
0.968 |
76 |
96 |
|
|
2 |
Σ |
1907 |
1826 |
0.957 |
76 |
97 |
|
|
3 |
Π |
770 |
756 |
0.981 |
76 |
98 |
HCO |
Formyl radical |
1 |
A' |
2721 |
2434 |
0.895 |
77 |
99 |
|
|
2 |
A' |
2038 |
1868 |
0.916 |
77 |
100 |
|
|
3 |
A' |
1145 |
1081 |
0.944 |
77 |
101 |
HNO |
Nitrosyl hydride |
1 |
A' |
2964 |
2684 |
0.906 |
78 |
102 |
|
|
2 |
A' |
1687 |
1565 |
0.928 |
78 |
103 |
|
|
3 |
A' |
1600 |
1501 |
0.938 |
78 |
104 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3631 |
3436 |
0.946 |
79 |
105 |
|
|
2 |
A' |
1500 |
1392 |
0.928 |
79 |
106 |
|
|
3 |
A' |
1192 |
1098 |
0.921 |
79 |
107 |
CO2 |
Carbon dioxide |
1 |
Σg |
1406 |
1333 |
0.948 |
80 |
108 |
|
|
2 |
Σu |
2472 |
2349 |
0.950 |
80 |
109 |
|
|
3 |
Πu |
667 |
667 |
1.000 |
80 |
110 |
N2O |
Nitrous oxide |
1 |
Σ |
2384 |
2224 |
0.933 |
81 |
111 |
|
|
2 |
Σ |
1360 |
1285 |
0.945 |
81 |
112 |
|
|
3 |
Π |
606 |
589 |
0.972 |
81 |
113 |
NaOH |
sodium hydroxide |
1 |
Σ |
3906 |
3637 |
0.931 |
82 |
114 |
|
|
2 |
Σ |
613 |
540 |
0.881 |
82 |
115 |
|
|
3 |
Π |
170 |
300 |
1.762 |
82 |
116 |
SiO2 |
silicon dioxide |
2 |
Σu |
1496 |
1416 |
0.947 |
83 |
117 |
|
|
3 |
Πu |
283 |
273 |
0.962 |
83 |
118 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2732 |
2615 |
0.957 |
84 |
119 |
|
|
2 |
A1 |
1265 |
1183 |
0.935 |
84 |
120 |
|
|
3 |
B2 |
2756 |
2626 |
0.953 |
84 |
121 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2869 |
2736 |
0.954 |
85 |
122 |
|
|
2 |
Σ |
1239 |
1172 |
0.947 |
85 |
123 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2170 |
2062 |
0.950 |
86 |
124 |
|
|
2 |
Σ |
896 |
859 |
0.959 |
86 |
125 |
|
|
3 |
Π |
511 |
520 |
1.017 |
86 |
126 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1206 |
1151 |
0.955 |
87 |
127 |
|
|
2 |
A1 |
526 |
518 |
0.984 |
87 |
128 |
|
|
3 |
B2 |
1419 |
1362 |
0.959 |
87 |
129 |
SSO |
Disulfur monoxide |
1 |
A' |
1224 |
1166 |
0.953 |
88 |
130 |
|
|
2 |
A' |
725 |
679 |
0.937 |
88 |
131 |
|
|
3 |
A' |
392 |
380 |
0.968 |
88 |
132 |
HCF |
Fluoromethylene |
1 |
A' |
2804 |
2643 |
0.943 |
89 |
133 |
|
|
2 |
A' |
1467 |
1403 |
0.957 |
89 |
134 |
|
|
3 |
A' |
1259 |
1189 |
0.944 |
89 |
135 |
HOF |
Hypofluorous acid |
1 |
A' |
3727 |
3578 |
0.960 |
90 |
136 |
|
|
2 |
A' |
1433 |
1362 |
0.951 |
90 |
137 |
|
|
3 |
A' |
1005 |
893 |
0.889 |
90 |
138 |
CF2 |
Difluoromethylene |
1 |
A1 |
1296 |
1225 |
0.945 |
91 |
139 |
|
|
2 |
A1 |
673 |
667 |
0.991 |
91 |
140 |
|
|
3 |
B2 |
1201 |
1114 |
0.928 |
91 |
141 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1893 |
1844 |
0.974 |
92 |
142 |
|
|
2 |
A' |
871 |
766 |
0.879 |
92 |
143 |
|
|
3 |
A' |
607 |
520 |
0.856 |
92 |
144 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1148 |
1075 |
0.936 |
93 |
145 |
|
|
2 |
A1 |
584 |
573 |
0.982 |
93 |
146 |
|
|
3 |
B2 |
1053 |
942 |
0.895 |
93 |
147 |
F2O |
Difluorine monoxide |
1 |
A1 |
995 |
928 |
0.932 |
94 |
148 |
|
|
2 |
A1 |
477 |
461 |
0.966 |
94 |
149 |
|
|
3 |
B2 |
961 |
831 |
0.865 |
94 |
150 |
HOCl |
hypochlorous acid |
1 |
A' |
3746 |
3609 |
0.964 |
95 |
151 |
|
|
2 |
A' |
1335 |
1239 |
0.928 |
95 |
152 |
|
|
3 |
A' |
753 |
724 |
0.962 |
95 |
153 |
ClCN |
chlorocyanogen |
1 |
Σ |
2345 |
2216 |
0.945 |
96 |
154 |
|
|
2 |
Σ |
756 |
744 |
0.984 |
96 |
155 |
|
|
3 |
Π |
363 |
378 |
1.042 |
96 |
156 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1892 |
1800 |
0.951 |
97 |
157 |
|
|
2 |
A' |
636 |
596 |
0.936 |
97 |
158 |
|
|
3 |
A' |
346 |
332 |
0.961 |
97 |
159 |
OClO |
Chlorine dioxide |
1 |
A1 |
985 |
946 |
0.960 |
98 |
160 |
|
|
2 |
A1 |
447 |
448 |
1.001 |
98 |
161 |
|
|
3 |
B2 |
1153 |
1110 |
0.962 |
98 |
162 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
667 |
639 |
0.958 |
99 |
163 |
|
|
2 |
A1 |
307 |
296 |
0.963 |
99 |
164 |
|
|
3 |
B2 |
745 |
686 |
0.921 |
99 |
165 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
542 |
522 |
0.963 |
100 |
166 |
|
|
2 |
A1 |
209 |
201 |
0.961 |
100 |
167 |
|
|
3 |
B2 |
539 |
509 |
0.944 |
100 |
168 |
ClS2 |
Sulfur chloride |
1 |
A' |
627 |
662 |
1.055 |
101 |
169 |
|
|
2 |
A' |
455 |
450 |
0.990 |
101 |
170 |
|
|
3 |
A' |
220 |
196 |
0.891 |
101 |
171 |
BH3 |
boron trihydride |
2 |
A2" |
1169 |
1148 |
0.982 |
102 |
172 |
|
|
3 |
E' |
2747 |
2602 |
0.947 |
102 |
173 |
|
|
4 |
E' |
1231 |
1197 |
0.972 |
102 |
174 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1933 |
1900 |
0.983 |
103 |
175 |
|
|
2 |
A2" |
709 |
698 |
0.984 |
103 |
176 |
|
|
3 |
E' |
1950 |
1883 |
0.965 |
103 |
177 |
|
|
4 |
E' |
793 |
783 |
0.988 |
103 |
178 |
C2H2 |
Acetylene |
1 |
Σg |
3550 |
3374 |
0.950 |
104 |
179 |
|
|
2 |
Σg |
2077 |
1974 |
0.950 |
104 |
180 |
|
|
3 |
Σu |
3451 |
3289 |
0.953 |
104 |
181 |
|
|
4 |
Πg |
443 |
612 |
1.380 |
104 |
182 |
|
|
5 |
Πu |
757 |
730 |
0.964 |
104 |
183 |
SiH3 |
Silyl radical |
1 |
A1 |
2244 |
2136 |
0.952 |
105 |
184 |
|
|
2 |
A1 |
777 |
728 |
0.937 |
105 |
185 |
|
|
3 |
E |
2284 |
2185 |
0.957 |
105 |
186 |
|
|
4 |
E |
947 |
922 |
0.974 |
105 |
187 |
NH3 |
Ammonia |
1 |
A1 |
3469 |
3337 |
0.962 |
106 |
188 |
|
|
2 |
A1 |
1183 |
950 |
0.803 |
106 |
189 |
|
|
3 |
E |
3609 |
3444 |
0.954 |
106 |
190 |
|
|
4 |
E |
1754 |
1627 |
0.928 |
106 |
191 |
C2N2 |
Cyanogen |
1 |
Σg |
2476 |
2330 |
0.941 |
107 |
192 |
|
|
2 |
Σg |
878 |
846 |
0.963 |
107 |
193 |
|
|
3 |
Σu |
2275 |
2158 |
0.949 |
107 |
194 |
|
|
4 |
Πg |
521 |
503 |
0.965 |
107 |
195 |
|
|
5 |
Πu |
240 |
234 |
0.973 |
107 |
196 |
PH3 |
Phosphine |
1 |
A1 |
2440 |
2323 |
0.952 |
108 |
197 |
|
|
2 |
A1 |
1062 |
992 |
0.935 |
108 |
198 |
|
|
3 |
E |
2455 |
2328 |
0.948 |
108 |
199 |
|
|
4 |
E |
1152 |
1118 |
0.970 |
108 |
200 |
P4 |
Phosphorus tetramer |
1 |
A1 |
642 |
601 |
0.935 |
109 |
201 |
|
|
2 |
E |
378 |
361 |
0.956 |
109 |
202 |
|
|
3 |
T2 |
486 |
467 |
0.960 |
109 |
203 |
H2CO |
Formaldehyde |
1 |
A1 |
2992 |
2782 |
0.930 |
110 |
204 |
|
|
2 |
A1 |
1854 |
1746 |
0.942 |
110 |
205 |
|
|
3 |
A1 |
1585 |
1500 |
0.947 |
110 |
206 |
|
|
4 |
B1 |
1207 |
1167 |
0.967 |
110 |
207 |
|
|
5 |
B2 |
3064 |
2843 |
0.928 |
110 |
208 |
|
|
6 |
B2 |
1301 |
1249 |
0.960 |
110 |
209 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3752 |
3599 |
0.959 |
111 |
210 |
|
|
2 |
A |
1492 |
1402 |
0.940 |
111 |
211 |
|
|
3 |
A |
965 |
877 |
0.909 |
111 |
212 |
|
|
4 |
A |
357 |
371 |
1.039 |
111 |
213 |
|
|
5 |
B |
3754 |
3608 |
0.961 |
111 |
214 |
|
|
6 |
B |
1357 |
1266 |
0.933 |
111 |
215 |
HNCO |
Isocyanic acid |
1 |
A' |
3726 |
3538 |
0.950 |
112 |
216 |
|
|
2 |
A' |
2385 |
2269 |
0.951 |
112 |
217 |
|
|
3 |
A' |
1364 |
1327 |
0.973 |
112 |
218 |
|
|
4 |
A' |
796 |
777 |
0.976 |
112 |
219 |
|
|
5 |
A' |
564 |
577 |
1.024 |
112 |
220 |
|
|
6 |
A" |
625 |
656 |
1.049 |
112 |
221 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3138 |
2971 |
0.947 |
113 |
222 |
|
|
2 |
A1 |
1563 |
1456 |
0.931 |
113 |
223 |
|
|
3 |
A1 |
1134 |
1059 |
0.934 |
113 |
224 |
|
|
4 |
B1 |
1033 |
990 |
0.959 |
113 |
225 |
|
|
5 |
B2 |
3226 |
3025 |
0.938 |
113 |
226 |
|
|
6 |
B2 |
1051 |
991 |
0.943 |
113 |
227 |
H2S2 |
Disulfane |
1 |
A |
2700 |
2556 |
0.947 |
114 |
228 |
|
|
2 |
A |
940 |
882 |
0.938 |
114 |
229 |
|
|
3 |
A |
527 |
515 |
0.977 |
114 |
230 |
|
|
4 |
A |
441 |
417 |
0.947 |
114 |
231 |
|
|
5 |
B |
2701 |
2559 |
0.947 |
114 |
232 |
|
|
6 |
B |
940 |
878 |
0.934 |
114 |
233 |
SO3 |
Sulfur trioxide |
1 |
A1' |
1095 |
1065 |
0.973 |
115 |
234 |
|
|
2 |
A2" |
488 |
498 |
1.021 |
115 |
235 |
|
|
3 |
E' |
1436 |
1391 |
0.969 |
115 |
236 |
|
|
4 |
E' |
525 |
530 |
1.010 |
115 |
237 |
BHF2 |
Difluoroborane |
1 |
A1 |
2777 |
2621 |
0.944 |
116 |
238 |
|
|
2 |
A1 |
1191 |
1164 |
0.977 |
116 |
239 |
|
|
3 |
A1 |
547 |
542 |
0.992 |
116 |
240 |
|
|
4 |
B1 |
966 |
924 |
0.956 |
116 |
241 |
|
|
5 |
B2 |
1485 |
1402 |
0.944 |
116 |
242 |
CF2O |
Carbonic difluoride |
1 |
A1 |
2055 |
1928 |
0.938 |
117 |
243 |
|
|
2 |
A1 |
1003 |
965 |
0.962 |
117 |
244 |
|
|
3 |
A1 |
581 |
584 |
1.005 |
117 |
245 |
|
|
4 |
B1 |
783 |
774 |
0.988 |
117 |
246 |
|
|
5 |
B2 |
1343 |
1249 |
0.930 |
117 |
247 |
|
|
6 |
B2 |
629 |
626 |
0.996 |
117 |
248 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
902 |
888 |
0.985 |
118 |
249 |
|
|
2 |
A2" |
708 |
691 |
0.976 |
118 |
250 |
|
|
3 |
E' |
1516 |
1449 |
0.956 |
118 |
251 |
|
|
4 |
E' |
486 |
480 |
0.987 |
118 |
252 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1656 |
1523 |
0.920 |
119 |
253 |
|
|
2 |
Ag |
1113 |
1018 |
0.915 |
119 |
254 |
|
|
3 |
Ag |
628 |
603 |
0.960 |
119 |
255 |
|
|
4 |
Au |
374 |
364 |
0.973 |
119 |
256 |
|
|
5 |
Bu |
1077 |
991 |
0.920 |
119 |
257 |
|
|
6 |
Bu |
436 |
423 |
0.971 |
119 |
258 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1136 |
1089 |
0.958 |
120 |
259 |
|
|
2 |
A1 |
709 |
701 |
0.989 |
120 |
260 |
|
|
3 |
E |
1347 |
1260 |
0.936 |
120 |
261 |
|
|
4 |
E |
509 |
509 |
0.999 |
120 |
262 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1090 |
1032 |
0.947 |
121 |
263 |
|
|
2 |
A1 |
669 |
647 |
0.966 |
121 |
264 |
|
|
3 |
E |
1027 |
907 |
0.883 |
121 |
265 |
|
|
4 |
E |
505 |
492 |
0.974 |
121 |
266 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
927 |
892 |
0.963 |
122 |
267 |
|
|
2 |
A1 |
478 |
487 |
1.019 |
122 |
268 |
|
|
3 |
E |
910 |
860 |
0.945 |
122 |
269 |
|
|
4 |
E |
334 |
344 |
1.030 |
122 |
270 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2760 |
2617 |
0.948 |
123 |
271 |
|
|
2 |
A1 |
767 |
740 |
0.964 |
123 |
272 |
|
|
4 |
B1 |
819 |
784 |
0.958 |
123 |
273 |
|
|
5 |
B2 |
1159 |
1089 |
0.939 |
123 |
274 |
|
|
6 |
B2 |
946 |
892 |
0.943 |
123 |
275 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1397 |
1267 |
0.907 |
124 |
276 |
|
|
2 |
A1 |
826 |
793 |
0.960 |
124 |
277 |
|
|
3 |
A1 |
414 |
364 |
0.878 |
124 |
278 |
|
|
4 |
B1 |
690 |
652 |
0.944 |
124 |
279 |
|
|
5 |
B2 |
1871 |
1684 |
0.900 |
124 |
280 |
|
|
6 |
B2 |
437 |
408 |
0.933 |
124 |
281 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
800 |
752 |
0.940 |
125 |
282 |
|
|
2 |
A1 |
588 |
529 |
0.899 |
125 |
283 |
|
|
3 |
A1 |
354 |
328 |
0.925 |
125 |
284 |
|
|
4 |
B1 |
329 |
328 |
0.996 |
125 |
285 |
|
|
5 |
B2 |
806 |
702 |
0.871 |
125 |
286 |
|
|
6 |
B2 |
451 |
442 |
0.980 |
125 |
287 |
CCl2O |
Phosgene |
1 |
A1 |
1923 |
1827 |
0.950 |
126 |
288 |
|
|
2 |
A1 |
597 |
567 |
0.950 |
126 |
289 |
|
|
3 |
A1 |
317 |
285 |
0.900 |
126 |
290 |
|
|
4 |
B1 |
600 |
580 |
0.966 |
126 |
291 |
|
|
5 |
B2 |
922 |
849 |
0.921 |
126 |
292 |
|
|
6 |
B2 |
466 |
440 |
0.945 |
126 |
293 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
866 |
820 |
0.947 |
127 |
294 |
|
|
2 |
A1 |
525 |
500 |
0.952 |
127 |
295 |
|
|
3 |
A1 |
250 |
250 |
1.000 |
127 |
296 |
|
|
4 |
B1 |
274 |
260 |
0.950 |
127 |
297 |
|
|
5 |
B2 |
994 |
900 |
0.905 |
127 |
298 |
|
|
6 |
B2 |
194 |
200 |
1.029 |
127 |
299 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
494 |
471 |
0.953 |
128 |
300 |
|
|
2 |
A2" |
479 |
460 |
0.961 |
128 |
301 |
|
|
3 |
E' |
1006 |
956 |
0.950 |
128 |
302 |
|
|
4 |
E' |
271 |
243 |
0.896 |
128 |
303 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
929 |
850 |
0.915 |
129 |
304 |
|
|
2 |
A1 |
451 |
450 |
0.997 |
129 |
305 |
|
|
3 |
A1 |
159 |
150 |
0.942 |
129 |
306 |
|
|
4 |
B1 |
241 |
220 |
0.914 |
129 |
307 |
|
|
5 |
B2 |
655 |
610 |
0.932 |
129 |
308 |
|
|
6 |
B2 |
213 |
200 |
0.940 |
129 |
309 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
396 |
375 |
0.947 |
130 |
310 |
|
|
2 |
A2" |
209 |
183 |
0.875 |
130 |
311 |
|
|
3 |
E' |
644 |
595 |
0.923 |
130 |
312 |
|
|
4 |
E' |
154 |
150 |
0.975 |
130 |
313 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
526 |
504 |
0.959 |
131 |
314 |
|
|
2 |
A1 |
270 |
252 |
0.935 |
131 |
315 |
|
|
3 |
E |
527 |
482 |
0.914 |
131 |
316 |
|
|
4 |
E |
191 |
198 |
1.039 |
131 |
317 |
CH4 |
Methane |
1 |
A1 |
3076 |
2917 |
0.948 |
132 |
318 |
|
|
2 |
E |
1605 |
1534 |
0.956 |
132 |
319 |
|
|
3 |
T2 |
3201 |
3019 |
0.943 |
132 |
320 |
|
|
4 |
T2 |
1402 |
1306 |
0.931 |
132 |
321 |
SiH4 |
Silane |
1 |
A1 |
2270 |
2187 |
0.963 |
133 |
322 |
|
|
2 |
E |
981 |
975 |
0.994 |
133 |
323 |
|
|
3 |
T2 |
2287 |
2191 |
0.958 |
133 |
324 |
|
|
4 |
T2 |
932 |
914 |
0.981 |
133 |
325 |
CH2NH |
Methanimine |
1 |
A' |
3438 |
3263 |
0.949 |
134 |
326 |
|
|
2 |
A' |
3204 |
3024 |
0.944 |
134 |
327 |
|
|
3 |
A' |
3100 |
2914 |
0.940 |
134 |
328 |
|
|
4 |
A' |
1743 |
1638 |
0.940 |
134 |
329 |
|
|
5 |
A' |
1528 |
1452 |
0.950 |
134 |
330 |
|
|
6 |
A' |
1417 |
1344 |
0.948 |
134 |
331 |
|
|
7 |
A' |
1099 |
1058 |
0.963 |
134 |
332 |
|
|
8 |
A" |
1187 |
1127 |
0.950 |
134 |
333 |
|
|
9 |
A" |
1096 |
1061 |
0.968 |
134 |
334 |
CH2CO |
Ketene |
1 |
A1 |
3245 |
3070 |
0.946 |
135 |
335 |
|
|
2 |
A1 |
2272 |
2152 |
0.947 |
135 |
336 |
|
|
3 |
A1 |
1466 |
1388 |
0.947 |
135 |
337 |
|
|
4 |
A1 |
1196 |
1118 |
0.935 |
135 |
338 |
|
|
5 |
B1 |
623 |
588 |
0.943 |
135 |
339 |
|
|
6 |
B1 |
533 |
528 |
0.990 |
135 |
340 |
|
|
7 |
B2 |
3344 |
3166 |
0.947 |
135 |
341 |
|
|
8 |
B2 |
1032 |
977 |
0.946 |
135 |
342 |
|
|
9 |
B2 |
446 |
433 |
0.971 |
135 |
343 |
HCOOH |
Formic acid |
1 |
A' |
3728 |
3570 |
0.958 |
136 |
344 |
|
|
2 |
A' |
3145 |
2943 |
0.936 |
136 |
345 |
|
|
3 |
A' |
1906 |
1770 |
0.929 |
136 |
346 |
|
|
4 |
A' |
1453 |
1387 |
0.955 |
136 |
347 |
|
|
5 |
A' |
1364 |
1229 |
0.901 |
136 |
348 |
|
|
6 |
A' |
1182 |
1105 |
0.935 |
136 |
349 |
|
|
7 |
A' |
642 |
625 |
0.974 |
136 |
350 |
|
|
8 |
A" |
1078 |
1033 |
0.958 |
136 |
351 |
|
|
9 |
A" |
697 |
638 |
0.916 |
136 |
352 |
HNO3 |
Nitric acid |
1 |
A' |
3714 |
3550 |
0.956 |
137 |
353 |
|
|
2 |
A' |
1893 |
1708 |
0.902 |
137 |
354 |
|
|
3 |
A' |
1444 |
1331 |
0.922 |
137 |
355 |
|
|
4 |
A' |
1406 |
1325 |
0.942 |
137 |
356 |
|
|
5 |
A' |
983 |
879 |
0.894 |
137 |
357 |
|
|
6 |
A' |
695 |
647 |
0.931 |
137 |
358 |
|
|
7 |
A' |
606 |
579 |
0.955 |
137 |
359 |
|
|
8 |
A" |
790 |
762 |
0.965 |
137 |
360 |
|
|
9 |
A" |
502 |
456 |
0.909 |
137 |
361 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2334 |
2196 |
0.941 |
138 |
362 |
|
|
2 |
Σg |
803 |
786 |
0.979 |
138 |
363 |
|
|
3 |
Σu |
2439 |
2258 |
0.926 |
138 |
364 |
|
|
4 |
Σu |
1694 |
1573 |
0.929 |
138 |
365 |
|
|
5 |
Πg |
601 |
573 |
0.953 |
138 |
366 |
|
|
6 |
Πu |
588 |
550 |
0.935 |
138 |
367 |
|
|
7 |
Πu |
78 |
61 |
0.779 |
138 |
368 |
CH3F |
Methyl fluoride |
1 |
A1 |
3084 |
2930 |
0.950 |
139 |
369 |
|
|
2 |
A1 |
1546 |
1464 |
0.947 |
139 |
370 |
|
|
3 |
A1 |
1120 |
1049 |
0.937 |
139 |
371 |
|
|
4 |
E |
3173 |
3006 |
0.947 |
139 |
372 |
|
|
5 |
E |
1551 |
1467 |
0.946 |
139 |
373 |
|
|
6 |
E |
1221 |
1182 |
0.968 |
139 |
374 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3118 |
2948 |
0.945 |
140 |
375 |
|
|
2 |
A1 |
1603 |
1508 |
0.941 |
140 |
376 |
|
|
3 |
A1 |
1162 |
1111 |
0.956 |
140 |
377 |
|
|
4 |
A1 |
529 |
529 |
0.999 |
140 |
378 |
|
|
5 |
A2 |
1306 |
1262 |
0.966 |
140 |
379 |
|
|
6 |
B1 |
3190 |
3014 |
0.945 |
140 |
380 |
|
|
7 |
B1 |
1216 |
1178 |
0.969 |
140 |
381 |
|
|
8 |
B2 |
1522 |
1435 |
0.943 |
140 |
382 |
|
|
9 |
B2 |
1184 |
1090 |
0.921 |
140 |
383 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3206 |
3036 |
0.947 |
141 |
384 |
|
|
2 |
A1 |
1185 |
1117 |
0.943 |
141 |
385 |
|
|
3 |
A1 |
711 |
700 |
0.985 |
141 |
386 |
|
|
4 |
E |
1472 |
1372 |
0.932 |
141 |
387 |
|
|
5 |
E |
1242 |
1152 |
0.927 |
141 |
388 |
|
|
6 |
E |
511 |
507 |
0.993 |
141 |
389 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
932 |
909 |
0.975 |
142 |
390 |
|
|
2 |
E |
437 |
435 |
0.995 |
142 |
391 |
|
|
3 |
T2 |
1376 |
1283 |
0.932 |
142 |
392 |
|
|
4 |
T2 |
635 |
631 |
0.994 |
142 |
393 |
SiH3F |
monofluorosilane |
1 |
A1 |
2302 |
2206 |
0.958 |
143 |
394 |
|
|
2 |
A1 |
1046 |
990 |
0.947 |
143 |
395 |
|
|
3 |
A1 |
903 |
872 |
0.966 |
143 |
396 |
|
|
4 |
E |
2312 |
2196 |
0.950 |
143 |
397 |
|
|
5 |
E |
977 |
956 |
0.979 |
143 |
398 |
|
|
6 |
E |
755 |
728 |
0.964 |
143 |
399 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
810 |
800 |
0.988 |
144 |
400 |
|
|
2 |
E |
264 |
268 |
1.017 |
144 |
401 |
|
|
3 |
T2 |
1067 |
1032 |
0.967 |
144 |
402 |
|
|
4 |
T2 |
390 |
389 |
0.997 |
144 |
403 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1458 |
1417 |
0.972 |
145 |
404 |
|
|
2 |
A1 |
884 |
873 |
0.988 |
145 |
405 |
|
|
3 |
A1 |
472 |
472 |
1.000 |
145 |
406 |
|
|
4 |
E |
1020 |
991 |
0.972 |
145 |
407 |
|
|
5 |
E |
467 |
482 |
1.032 |
145 |
408 |
|
|
6 |
E |
324 |
336 |
1.039 |
145 |
409 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3122 |
2966 |
0.950 |
146 |
410 |
|
|
2 |
A1 |
1457 |
1355 |
0.930 |
146 |
411 |
|
|
3 |
A1 |
777 |
732 |
0.942 |
146 |
412 |
|
|
4 |
E |
3225 |
3042 |
0.943 |
146 |
413 |
|
|
5 |
E |
1533 |
1455 |
0.949 |
146 |
414 |
|
|
6 |
E |
1077 |
1015 |
0.942 |
146 |
415 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2295 |
2201 |
0.959 |
147 |
416 |
|
|
2 |
A1 |
979 |
949 |
0.969 |
147 |
417 |
|
|
3 |
A1 |
566 |
551 |
0.973 |
147 |
418 |
|
|
4 |
E |
2313 |
2195 |
0.949 |
147 |
419 |
|
|
5 |
E |
968 |
954 |
0.985 |
147 |
420 |
|
|
6 |
E |
678 |
664 |
0.980 |
147 |
421 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3172 |
2999 |
0.946 |
148 |
422 |
|
|
2 |
A1 |
1523 |
1467 |
0.963 |
148 |
423 |
|
|
3 |
A1 |
750 |
717 |
0.956 |
148 |
424 |
|
|
4 |
A1 |
299 |
282 |
0.944 |
148 |
425 |
|
|
5 |
A2 |
1241 |
1153 |
0.929 |
148 |
426 |
|
|
6 |
B1 |
3247 |
3040 |
0.936 |
148 |
427 |
|
|
7 |
B1 |
945 |
898 |
0.951 |
148 |
428 |
|
|
8 |
B2 |
1372 |
1268 |
0.924 |
148 |
429 |
|
|
9 |
B2 |
821 |
758 |
0.924 |
148 |
430 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1181 |
1105 |
0.935 |
149 |
431 |
|
|
2 |
A1 |
801 |
781 |
0.975 |
149 |
432 |
|
|
3 |
A1 |
489 |
476 |
0.973 |
149 |
433 |
|
|
4 |
E |
1316 |
1212 |
0.921 |
149 |
434 |
|
|
5 |
E |
565 |
563 |
0.997 |
149 |
435 |
|
|
6 |
E |
356 |
350 |
0.982 |
149 |
436 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2326 |
2224 |
0.956 |
150 |
437 |
|
|
2 |
A1 |
977 |
954 |
0.976 |
150 |
438 |
|
|
3 |
A1 |
543 |
527 |
0.971 |
150 |
439 |
|
|
4 |
A1 |
192 |
188 |
0.979 |
150 |
440 |
|
|
5 |
A2 |
735 |
710 |
0.966 |
150 |
441 |
|
|
6 |
B1 |
2344 |
2237 |
0.954 |
150 |
442 |
|
|
7 |
B1 |
615 |
602 |
0.979 |
150 |
443 |
|
|
8 |
B2 |
911 |
876 |
0.962 |
150 |
444 |
|
|
9 |
B2 |
611 |
590 |
0.965 |
150 |
445 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
1083 |
1061 |
0.980 |
151 |
446 |
|
|
2 |
A1 |
777 |
715 |
0.921 |
151 |
447 |
|
|
3 |
A1 |
538 |
549 |
1.020 |
151 |
448 |
|
|
4 |
E |
1324 |
1315 |
0.993 |
151 |
449 |
|
|
5 |
E |
572 |
589 |
1.030 |
151 |
450 |
|
|
6 |
E |
379 |
405 |
1.068 |
151 |
451 |
CHCl3 |
Chloroform |
1 |
A1 |
3226 |
3034 |
0.941 |
152 |
452 |
|
|
2 |
A1 |
703 |
680 |
0.968 |
152 |
453 |
|
|
3 |
A1 |
386 |
366 |
0.949 |
152 |
454 |
|
|
4 |
E |
1318 |
1220 |
0.925 |
152 |
455 |
|
|
5 |
E |
833 |
774 |
0.929 |
152 |
456 |
|
|
6 |
E |
276 |
260 |
0.942 |
152 |
457 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1184 |
1101 |
0.930 |
153 |
458 |
|
|
2 |
A1 |
680 |
667 |
0.980 |
153 |
459 |
|
|
3 |
A1 |
468 |
458 |
0.978 |
153 |
460 |
|
|
4 |
A1 |
275 |
262 |
0.953 |
153 |
461 |
|
|
5 |
A2 |
332 |
322 |
0.971 |
153 |
462 |
|
|
6 |
B1 |
977 |
902 |
0.923 |
153 |
463 |
|
|
7 |
B1 |
449 |
437 |
0.973 |
153 |
464 |
|
|
8 |
B2 |
1256 |
1159 |
0.922 |
153 |
465 |
|
|
9 |
B2 |
445 |
446 |
1.003 |
153 |
466 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1166 |
1085 |
0.930 |
154 |
467 |
|
|
2 |
A1 |
553 |
535 |
0.967 |
154 |
468 |
|
|
3 |
A1 |
367 |
350 |
0.952 |
154 |
469 |
|
|
4 |
E |
910 |
847 |
0.930 |
154 |
470 |
|
|
5 |
E |
410 |
394 |
0.961 |
154 |
471 |
|
|
6 |
E |
259 |
241 |
0.932 |
154 |
472 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1224 |
1205 |
0.984 |
155 |
473 |
|
|
2 |
A1 |
575 |
577 |
1.003 |
155 |
474 |
|
|
3 |
A1 |
408 |
408 |
1.001 |
155 |
475 |
|
|
4 |
A1 |
211 |
218 |
1.031 |
155 |
476 |
|
|
5 |
A2 |
274 |
282 |
1.031 |
155 |
477 |
|
|
6 |
B1 |
614 |
586 |
0.954 |
155 |
478 |
|
|
7 |
B1 |
386 |
388 |
1.005 |
155 |
479 |
|
|
8 |
B2 |
1474 |
1434 |
0.973 |
155 |
480 |
|
|
9 |
B2 |
365 |
362 |
0.992 |
155 |
481 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2364 |
2261 |
0.956 |
156 |
482 |
|
|
2 |
A1 |
509 |
499 |
0.980 |
156 |
483 |
|
|
3 |
A1 |
261 |
254 |
0.972 |
156 |
484 |
|
|
4 |
E |
837 |
811 |
0.969 |
156 |
485 |
|
|
5 |
E |
625 |
600 |
0.961 |
156 |
486 |
|
|
6 |
E |
179 |
176 |
0.981 |
156 |
487 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
481 |
459 |
0.955 |
157 |
488 |
|
|
2 |
E |
233 |
217 |
0.933 |
157 |
489 |
|
|
3 |
T2 |
848 |
776 |
0.915 |
157 |
490 |
|
|
4 |
T2 |
333 |
314 |
0.942 |
157 |
491 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1349 |
1322 |
0.980 |
158 |
492 |
|
|
2 |
A1 |
498 |
481 |
0.966 |
158 |
493 |
|
|
3 |
A1 |
280 |
266 |
0.950 |
158 |
494 |
|
|
4 |
E |
624 |
590 |
0.945 |
158 |
495 |
|
|
5 |
E |
343 |
333 |
0.971 |
158 |
496 |
|
|
6 |
E |
192 |
187 |
0.972 |
158 |
497 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
432 |
424 |
0.980 |
159 |
498 |
|
|
2 |
E |
151 |
150 |
0.992 |
159 |
499 |
|
|
3 |
T2 |
645 |
621 |
0.963 |
159 |
500 |
|
|
4 |
T2 |
229 |
221 |
0.967 |
159 |
501 |
C2H4 |
Ethylene |
1 |
Ag |
3198 |
3026 |
0.946 |
160 |
502 |
|
|
2 |
Ag |
1731 |
1623 |
0.938 |
160 |
503 |
|
|
3 |
Ag |
1409 |
1342 |
0.953 |
160 |
504 |
|
|
4 |
Au |
1062 |
1023 |
0.963 |
160 |
505 |
|
|
5 |
B1u |
3179 |
2989 |
0.940 |
160 |
506 |
|
|
6 |
B1u |
1514 |
1444 |
0.954 |
160 |
507 |
|
|
7 |
B2g |
944 |
940 |
0.995 |
160 |
508 |
|
|
8 |
B2u |
3280 |
3105 |
0.947 |
160 |
509 |
|
|
9 |
B2u |
849 |
826 |
0.973 |
160 |
510 |
|
|
10 |
B3g |
3257 |
3086 |
0.947 |
160 |
511 |
|
|
11 |
B3g |
1262 |
1217 |
0.964 |
160 |
512 |
|
|
12 |
B3u |
981 |
949 |
0.967 |
160 |
513 |
C3H3 |
Propargyl radical |
1 |
A1 |
3532 |
3322 |
0.941 |
161 |
514 |
|
|
6 |
B1 |
629 |
687 |
1.092 |
161 |
515 |
|
|
7 |
B1 |
549 |
490 |
0.892 |
161 |
516 |
N2H4 |
Hydrazine |
1 |
A |
3582 |
3398 |
0.949 |
162 |
517 |
|
|
2 |
A |
3473 |
3329 |
0.958 |
162 |
518 |
|
|
3 |
A |
1752 |
1642 |
0.937 |
162 |
519 |
|
|
4 |
A |
1386 |
1275 |
0.920 |
162 |
520 |
|
|
5 |
A |
1167 |
1076 |
0.922 |
162 |
521 |
|
|
6 |
A |
912 |
780 |
0.855 |
162 |
522 |
|
|
7 |
A |
417 |
377 |
0.903 |
162 |
523 |
|
|
8 |
B |
3587 |
3350 |
0.934 |
162 |
524 |
|
|
9 |
B |
3461 |
3314 |
0.957 |
162 |
525 |
|
|
10 |
B |
1739 |
1628 |
0.936 |
162 |
526 |
|
|
11 |
B |
1349 |
1275 |
0.945 |
162 |
527 |
|
|
12 |
B |
1091 |
966 |
0.886 |
162 |
528 |
CH3CN |
Acetonitrile |
1 |
A1 |
3102 |
2954 |
0.952 |
163 |
529 |
|
|
2 |
A1 |
2391 |
2267 |
0.948 |
163 |
530 |
|
|
3 |
A1 |
1468 |
1385 |
0.944 |
163 |
531 |
|
|
4 |
A1 |
947 |
920 |
0.971 |
163 |
532 |
|
|
5 |
E |
3188 |
3009 |
0.944 |
163 |
533 |
|
|
6 |
E |
1528 |
1448 |
0.948 |
163 |
534 |
|
|
7 |
E |
1093 |
1041 |
0.953 |
163 |
535 |
|
|
8 |
E |
364 |
362 |
0.995 |
163 |
536 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2465 |
2290 |
0.929 |
164 |
537 |
|
|
2 |
Σg |
2245 |
2119 |
0.944 |
164 |
538 |
|
|
3 |
Σg |
609 |
692 |
1.136 |
164 |
539 |
|
|
4 |
Σu |
2382 |
2241 |
0.941 |
164 |
540 |
|
|
5 |
Σu |
1169 |
1154 |
0.987 |
164 |
541 |
|
|
6 |
Πg |
503 |
504 |
1.002 |
164 |
542 |
|
|
7 |
Πg |
275 |
263 |
0.958 |
164 |
543 |
|
|
8 |
Πu |
493 |
472 |
0.958 |
164 |
544 |
|
|
9 |
Πu |
117 |
107 |
0.913 |
164 |
545 |
CH3OH |
Methyl alcohol |
1 |
A' |
3796 |
3681 |
0.970 |
165 |
546 |
|
|
2 |
A' |
3178 |
3000 |
0.944 |
165 |
547 |
|
|
3 |
A' |
3046 |
2844 |
0.934 |
165 |
548 |
|
|
4 |
A' |
1564 |
1477 |
0.944 |
165 |
549 |
|
|
5 |
A' |
1531 |
1455 |
0.950 |
165 |
550 |
|
|
6 |
A' |
1427 |
1345 |
0.942 |
165 |
551 |
|
|
7 |
A' |
1118 |
1060 |
0.948 |
165 |
552 |
|
|
8 |
A' |
1091 |
1033 |
0.947 |
165 |
553 |
|
|
9 |
A" |
3105 |
2960 |
0.953 |
165 |
554 |
|
|
10 |
A" |
1551 |
1477 |
0.952 |
165 |
555 |
|
|
11 |
A" |
1200 |
1165 |
0.970 |
165 |
556 |
|
|
12 |
A" |
349 |
200 |
0.573 |
165 |
557 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3050 |
2843 |
0.932 |
166 |
558 |
|
|
2 |
Ag |
1858 |
1745 |
0.939 |
166 |
559 |
|
|
3 |
Ag |
1411 |
1338 |
0.948 |
166 |
560 |
|
|
4 |
Ag |
1127 |
1065 |
0.945 |
166 |
561 |
|
|
5 |
Ag |
579 |
551 |
0.951 |
166 |
562 |
|
|
6 |
Au |
826 |
801 |
0.969 |
166 |
563 |
|
|
7 |
Au |
153 |
127 |
0.831 |
166 |
564 |
|
|
8 |
Bg |
1077 |
1048 |
0.973 |
166 |
565 |
|
|
9 |
Bu |
3046 |
2835 |
0.931 |
166 |
566 |
|
|
10 |
Bu |
1835 |
1732 |
0.944 |
166 |
567 |
|
|
11 |
Bu |
1376 |
1312 |
0.953 |
166 |
568 |
|
|
12 |
Bu |
344 |
339 |
0.987 |
166 |
569 |
CH3SH |
Methanethiol |
1 |
A' |
3199 |
3000 |
0.938 |
167 |
570 |
|
|
2 |
A' |
3105 |
2931 |
0.944 |
167 |
571 |
|
|
3 |
A' |
2729 |
2597 |
0.951 |
167 |
572 |
|
|
4 |
A' |
1541 |
1475 |
0.957 |
167 |
573 |
|
|
5 |
A' |
1440 |
1335 |
0.927 |
167 |
574 |
|
|
6 |
A' |
1145 |
1074 |
0.938 |
167 |
575 |
|
|
7 |
A' |
832 |
803 |
0.965 |
167 |
576 |
|
|
8 |
A' |
752 |
708 |
0.942 |
167 |
577 |
|
|
9 |
A" |
3197 |
3000 |
0.938 |
167 |
578 |
|
|
10 |
A" |
1528 |
1430 |
0.936 |
167 |
579 |
|
|
11 |
A" |
1025 |
976 |
0.953 |
167 |
580 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3317 |
3115 |
0.939 |
168 |
581 |
|
|
2 |
A' |
3255 |
3080 |
0.946 |
168 |
582 |
|
|
3 |
A' |
3219 |
3052 |
0.948 |
168 |
583 |
|
|
4 |
A' |
1768 |
1654 |
0.935 |
168 |
584 |
|
|
5 |
A' |
1460 |
1380 |
0.945 |
168 |
585 |
|
|
6 |
A' |
1363 |
1306 |
0.958 |
168 |
586 |
|
|
7 |
A' |
1208 |
1156 |
0.957 |
168 |
587 |
|
|
8 |
A' |
966 |
929 |
0.962 |
168 |
588 |
|
|
9 |
A' |
487 |
483 |
0.992 |
168 |
589 |
|
|
10 |
A" |
971 |
940 |
0.968 |
168 |
590 |
|
|
11 |
A" |
879 |
863 |
0.982 |
168 |
591 |
|
|
12 |
A" |
734 |
711 |
0.969 |
168 |
592 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3249 |
3070 |
0.945 |
169 |
593 |
|
|
2 |
A1 |
1848 |
1728 |
0.935 |
169 |
594 |
|
|
3 |
A1 |
1445 |
1360 |
0.941 |
169 |
595 |
|
|
4 |
A1 |
957 |
926 |
0.968 |
169 |
596 |
|
|
5 |
A1 |
545 |
550 |
1.010 |
169 |
597 |
|
|
6 |
A2 |
741 |
714 |
0.963 |
169 |
598 |
|
|
7 |
B1 |
822 |
803 |
0.977 |
169 |
599 |
|
|
8 |
B1 |
614 |
611 |
0.995 |
169 |
600 |
|
|
9 |
B2 |
3350 |
3154 |
0.941 |
169 |
601 |
|
|
10 |
B2 |
1395 |
1302 |
0.933 |
169 |
602 |
|
|
11 |
B2 |
991 |
955 |
0.964 |
169 |
603 |
|
|
12 |
B2 |
439 |
438 |
0.999 |
169 |
604 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1984 |
1872 |
0.944 |
170 |
605 |
|
|
2 |
Ag |
806 |
778 |
0.965 |
170 |
606 |
|
|
3 |
Ag |
395 |
394 |
0.998 |
170 |
607 |
|
|
4 |
Au |
201 |
190 |
0.945 |
170 |
608 |
|
|
5 |
B1u |
1228 |
1186 |
0.966 |
170 |
609 |
|
|
6 |
B1u |
549 |
558 |
1.016 |
170 |
610 |
|
|
7 |
B2g |
481 |
508 |
1.055 |
170 |
611 |
|
|
8 |
B2u |
1410 |
1337 |
0.948 |
170 |
612 |
|
|
9 |
B2u |
204 |
218 |
1.068 |
170 |
613 |
|
|
10 |
B3g |
1421 |
1340 |
0.943 |
170 |
614 |
|
|
11 |
B3g |
555 |
551 |
0.993 |
170 |
615 |
|
|
12 |
B3u |
421 |
406 |
0.964 |
170 |
616 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
819 |
816 |
0.997 |
171 |
617 |
|
|
2 |
A1' |
693 |
648 |
0.935 |
171 |
618 |
|
|
3 |
A2" |
1034 |
947 |
0.916 |
171 |
619 |
|
|
4 |
A2" |
562 |
575 |
1.024 |
171 |
620 |
|
|
5 |
E' |
1061 |
1024 |
0.965 |
171 |
621 |
|
|
6 |
E' |
523 |
533 |
1.019 |
171 |
622 |
|
|
7 |
E' |
184 |
174 |
0.944 |
171 |
623 |
|
|
8 |
E" |
495 |
520 |
1.051 |
171 |
624 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3737 |
3602 |
0.964 |
172 |
625 |
|
|
2 |
A |
1521 |
1486 |
0.977 |
172 |
626 |
|
|
3 |
A |
1269 |
1243 |
0.979 |
172 |
627 |
|
|
4 |
A |
1234 |
1150 |
0.932 |
172 |
628 |
|
|
5 |
A |
916 |
896 |
0.978 |
172 |
629 |
|
|
6 |
A |
854 |
823 |
0.963 |
172 |
630 |
|
|
7 |
A |
547 |
562 |
1.027 |
172 |
631 |
|
|
8 |
A |
534 |
551 |
1.032 |
172 |
632 |
|
|
9 |
A |
508 |
518 |
1.019 |
172 |
633 |
|
|
10 |
A |
413 |
409 |
0.990 |
172 |
634 |
|
|
11 |
A |
364 |
390 |
1.070 |
172 |
635 |
|
|
12 |
A |
280 |
266 |
0.951 |
172 |
636 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3298 |
3121 |
0.946 |
173 |
637 |
|
|
2 |
A' |
3262 |
3086 |
0.946 |
173 |
638 |
|
|
3 |
A' |
3205 |
3030 |
0.945 |
173 |
639 |
|
|
4 |
A' |
1717 |
1608 |
0.937 |
173 |
640 |
|
|
5 |
A' |
1450 |
1368 |
0.943 |
173 |
641 |
|
|
6 |
A' |
1348 |
1279 |
0.949 |
173 |
642 |
|
|
7 |
A' |
1078 |
1030 |
0.956 |
173 |
643 |
|
|
8 |
A' |
751 |
720 |
0.958 |
173 |
644 |
|
|
9 |
A' |
407 |
395 |
0.971 |
173 |
645 |
|
|
10 |
A" |
988 |
941 |
0.953 |
173 |
646 |
|
|
11 |
A" |
924 |
896 |
0.970 |
173 |
647 |
|
|
12 |
A" |
637 |
620 |
0.973 |
173 |
648 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3219 |
3035 |
0.943 |
174 |
649 |
|
|
2 |
A1 |
1719 |
1627 |
0.946 |
174 |
650 |
|
|
3 |
A1 |
1449 |
1400 |
0.966 |
174 |
651 |
|
|
4 |
A1 |
625 |
603 |
0.965 |
174 |
652 |
|
|
5 |
A1 |
311 |
299 |
0.963 |
174 |
653 |
|
|
6 |
A2 |
711 |
686 |
0.965 |
174 |
654 |
|
|
7 |
B1 |
907 |
875 |
0.964 |
174 |
655 |
|
|
8 |
B1 |
474 |
460 |
0.971 |
174 |
656 |
|
|
9 |
B2 |
3315 |
3130 |
0.944 |
174 |
657 |
|
|
10 |
B2 |
1151 |
1095 |
0.951 |
174 |
658 |
|
|
11 |
B2 |
838 |
800 |
0.955 |
174 |
659 |
|
|
12 |
B2 |
386 |
372 |
0.963 |
174 |
660 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3278 |
3077 |
0.939 |
175 |
661 |
|
|
2 |
A1 |
1716 |
1587 |
0.925 |
175 |
662 |
|
|
3 |
A1 |
1265 |
1179 |
0.932 |
175 |
663 |
|
|
4 |
A1 |
745 |
711 |
0.954 |
175 |
664 |
|
|
5 |
A1 |
173 |
173 |
1.000 |
175 |
665 |
|
|
6 |
A2 |
922 |
876 |
0.950 |
175 |
666 |
|
|
7 |
A2 |
421 |
406 |
0.965 |
175 |
667 |
|
|
8 |
B1 |
736 |
697 |
0.946 |
175 |
668 |
|
|
9 |
B2 |
3257 |
3072 |
0.943 |
175 |
669 |
|
|
10 |
B2 |
1378 |
1303 |
0.946 |
175 |
670 |
|
|
11 |
B2 |
903 |
857 |
0.949 |
175 |
671 |
|
|
12 |
B2 |
588 |
571 |
0.971 |
175 |
672 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3277 |
3073 |
0.938 |
176 |
673 |
|
|
2 |
Ag |
1710 |
1578 |
0.923 |
176 |
674 |
|
|
3 |
Ag |
1347 |
1274 |
0.946 |
176 |
675 |
|
|
4 |
Ag |
895 |
846 |
0.945 |
176 |
676 |
|
|
5 |
Ag |
360 |
350 |
0.971 |
176 |
677 |
|
|
6 |
Au |
953 |
900 |
0.945 |
176 |
678 |
|
|
7 |
Au |
219 |
227 |
1.038 |
176 |
679 |
|
|
8 |
Bg |
795 |
763 |
0.959 |
176 |
680 |
|
|
9 |
Bu |
3272 |
3090 |
0.944 |
176 |
681 |
|
|
10 |
Bu |
1281 |
1200 |
0.937 |
176 |
682 |
|
|
11 |
Bu |
866 |
828 |
0.956 |
176 |
683 |
|
|
12 |
Bu |
246 |
250 |
1.016 |
176 |
684 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3278 |
3082 |
0.940 |
177 |
685 |
|
|
2 |
A' |
1712 |
1586 |
0.926 |
177 |
686 |
|
|
3 |
A' |
1332 |
1247 |
0.936 |
177 |
687 |
|
|
4 |
A' |
996 |
931 |
0.934 |
177 |
688 |
|
|
5 |
A' |
884 |
840 |
0.950 |
177 |
689 |
|
|
6 |
A' |
653 |
630 |
0.965 |
177 |
690 |
|
|
7 |
A' |
399 |
384 |
0.963 |
177 |
691 |
|
|
8 |
A' |
287 |
277 |
0.965 |
177 |
692 |
|
|
9 |
A' |
179 |
178 |
0.996 |
177 |
693 |
|
|
10 |
A" |
833 |
780 |
0.936 |
177 |
694 |
|
|
11 |
A" |
479 |
451 |
0.942 |
177 |
695 |
|
|
12 |
A" |
211 |
215 |
1.019 |
177 |
696 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1181 |
1122 |
0.950 |
178 |
697 |
|
|
2 |
A1 |
421 |
401 |
0.952 |
178 |
698 |
|
|
3 |
A1 |
181 |
176 |
0.974 |
178 |
699 |
|
|
5 |
B2 |
766 |
728 |
0.950 |
178 |
700 |
|
|
6 |
B2 |
308 |
289 |
0.938 |
178 |
701 |
|
|
7 |
E |
975 |
917 |
0.941 |
178 |
702 |
|
|
8 |
E |
519 |
512 |
0.986 |
178 |
703 |
|
|
9 |
E |
104 |
104 |
0.997 |
178 |
704 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1693 |
1571 |
0.928 |
179 |
705 |
|
|
2 |
Ag |
465 |
447 |
0.961 |
179 |
706 |
|
|
3 |
Ag |
249 |
237 |
0.952 |
179 |
707 |
|
|
4 |
Au |
101 |
110 |
1.089 |
179 |
708 |
|
|
5 |
B1u |
812 |
777 |
0.957 |
179 |
709 |
|
|
6 |
B1u |
329 |
310 |
0.943 |
179 |
710 |
|
|
7 |
B2g |
554 |
512 |
0.925 |
179 |
711 |
|
|
8 |
B2u |
957 |
908 |
0.949 |
179 |
712 |
|
|
9 |
B2u |
187 |
176 |
0.941 |
179 |
713 |
|
|
10 |
B3g |
1060 |
1000 |
0.943 |
179 |
714 |
|
|
11 |
B3g |
356 |
347 |
0.974 |
179 |
715 |
|
|
12 |
B3u |
305 |
288 |
0.944 |
179 |
716 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
403 |
394 |
0.978 |
180 |
717 |
|
|
2 |
A1' |
298 |
264 |
0.887 |
180 |
718 |
|
|
3 |
A2" |
478 |
465 |
0.973 |
180 |
719 |
|
|
4 |
A2" |
313 |
299 |
0.955 |
180 |
720 |
|
|
5 |
E' |
601 |
592 |
0.985 |
180 |
721 |
|
|
6 |
E' |
280 |
273 |
0.975 |
180 |
722 |
|
|
7 |
E' |
98 |
100 |
1.023 |
180 |
723 |
|
|
8 |
E" |
270 |
282 |
1.043 |
180 |
724 |
CH3CCH |
propyne |
1 |
A1 |
3503 |
3334 |
0.952 |
181 |
725 |
|
|
2 |
A1 |
3083 |
2918 |
0.947 |
181 |
726 |
|
|
3 |
A1 |
2256 |
2124 |
0.941 |
181 |
727 |
|
|
4 |
A1 |
1468 |
1382 |
0.941 |
181 |
728 |
|
|
5 |
A1 |
959 |
931 |
0.971 |
181 |
729 |
|
|
6 |
E |
3161 |
3008 |
0.952 |
181 |
730 |
|
|
7 |
E |
1535 |
1452 |
0.946 |
181 |
731 |
|
|
8 |
E |
1081 |
1053 |
0.974 |
181 |
732 |
|
|
9 |
E |
551 |
633 |
1.149 |
181 |
733 |
|
|
10 |
E |
275 |
328 |
1.193 |
181 |
734 |
CH2CCH2 |
allene |
1 |
A1 |
3184 |
3015 |
0.947 |
182 |
735 |
|
|
2 |
A1 |
1532 |
1443 |
0.942 |
182 |
736 |
|
|
3 |
A1 |
1121 |
1073 |
0.957 |
182 |
737 |
|
|
4 |
B1 |
891 |
865 |
0.971 |
182 |
738 |
|
|
5 |
B2 |
3182 |
3007 |
0.945 |
182 |
739 |
|
|
6 |
B2 |
2088 |
1957 |
0.937 |
182 |
740 |
|
|
7 |
B2 |
1477 |
1398 |
0.947 |
182 |
741 |
|
|
8 |
E |
3261 |
3086 |
0.946 |
182 |
742 |
|
|
9 |
E |
1054 |
999 |
0.948 |
182 |
743 |
|
|
10 |
E |
888 |
841 |
0.947 |
182 |
744 |
|
|
11 |
E |
363 |
355 |
0.977 |
182 |
745 |
C3H4 |
cyclopropene |
1 |
A1 |
3352 |
3158 |
0.942 |
183 |
746 |
|
|
2 |
A1 |
3106 |
2909 |
0.937 |
183 |
747 |
|
|
3 |
A1 |
1762 |
1653 |
0.938 |
183 |
748 |
|
|
4 |
A1 |
1576 |
1483 |
0.941 |
183 |
749 |
|
|
5 |
A1 |
1213 |
1110 |
0.915 |
183 |
750 |
|
|
6 |
A1 |
959 |
905 |
0.944 |
183 |
751 |
|
|
7 |
A2 |
1043 |
996 |
0.955 |
183 |
752 |
|
|
8 |
A2 |
835 |
820 |
0.982 |
183 |
753 |
|
|
9 |
B1 |
3173 |
2995 |
0.944 |
183 |
754 |
|
|
10 |
B1 |
1143 |
1088 |
0.952 |
183 |
755 |
|
|
11 |
B1 |
584 |
569 |
0.974 |
183 |
756 |
|
|
12 |
B2 |
3306 |
3124 |
0.945 |
183 |
757 |
|
|
13 |
B2 |
1118 |
1043 |
0.933 |
183 |
758 |
|
|
14 |
B2 |
1077 |
1011 |
0.938 |
183 |
759 |
|
|
15 |
B2 |
827 |
769 |
0.930 |
183 |
760 |
CH3NH2 |
methyl amine |
1 |
A' |
3500 |
3361 |
0.960 |
184 |
761 |
|
|
2 |
A' |
3123 |
2961 |
0.948 |
184 |
762 |
|
|
3 |
A' |
3030 |
2820 |
0.931 |
184 |
763 |
|
|
4 |
A' |
1735 |
1623 |
0.935 |
184 |
764 |
|
|
5 |
A' |
1552 |
1473 |
0.949 |
184 |
765 |
|
|
6 |
A' |
1508 |
1430 |
0.948 |
184 |
766 |
|
|
7 |
A' |
1222 |
1130 |
0.925 |
184 |
767 |
|
|
8 |
A' |
1098 |
1044 |
0.951 |
184 |
768 |
|
|
9 |
A' |
920 |
780 |
0.848 |
184 |
769 |
|
|
10 |
A" |
3589 |
3427 |
0.955 |
184 |
770 |
|
|
11 |
A" |
3164 |
2985 |
0.943 |
184 |
771 |
|
|
12 |
A" |
1569 |
1485 |
0.947 |
184 |
772 |
|
|
13 |
A" |
1396 |
1335 |
0.956 |
184 |
773 |
|
|
14 |
A" |
998 |
|
|
184 |
774 |
|
|
15 |
A" |
338 |
268 |
0.793 |
184 |
775 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3102 |
2935 |
0.946 |
185 |
776 |
|
|
2 |
A1 |
2395 |
2275 |
0.950 |
185 |
777 |
|
|
3 |
A1 |
1510 |
1395 |
0.924 |
185 |
778 |
|
|
4 |
A1 |
921 |
890 |
0.966 |
185 |
779 |
|
|
5 |
A1 |
582 |
582 |
1.000 |
185 |
780 |
|
|
6 |
A1 |
145 |
167 |
1.152 |
185 |
781 |
|
|
7 |
A2 |
1274 |
1220 |
0.957 |
185 |
782 |
|
|
8 |
A2 |
358 |
367 |
1.025 |
185 |
783 |
|
|
9 |
B1 |
3149 |
2968 |
0.943 |
185 |
784 |
|
|
10 |
B1 |
973 |
933 |
0.959 |
185 |
785 |
|
|
11 |
B1 |
331 |
337 |
1.018 |
185 |
786 |
|
|
12 |
B2 |
2395 |
2275 |
0.950 |
185 |
787 |
|
|
13 |
B2 |
1390 |
1318 |
0.948 |
185 |
788 |
|
|
14 |
B2 |
1015 |
982 |
0.968 |
185 |
789 |
|
|
15 |
B2 |
357 |
366 |
1.026 |
185 |
790 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3699 |
3447 |
0.932 |
186 |
791 |
|
|
2 |
A' |
3336 |
3102 |
0.930 |
186 |
792 |
|
|
3 |
A' |
1567 |
1441 |
0.920 |
186 |
793 |
|
|
4 |
A' |
1529 |
1384 |
0.905 |
186 |
794 |
|
|
5 |
A' |
1348 |
1259 |
0.934 |
186 |
795 |
|
|
6 |
A' |
1319 |
1159 |
0.879 |
186 |
796 |
|
|
7 |
A' |
1186 |
1084 |
0.914 |
186 |
797 |
|
|
8 |
A' |
1129 |
1015 |
0.899 |
186 |
798 |
|
|
9 |
A' |
1103 |
1002 |
0.908 |
186 |
799 |
|
|
10 |
A' |
1033 |
969 |
0.938 |
186 |
800 |
|
|
11 |
A' |
998 |
925 |
0.927 |
186 |
801 |
|
|
12 |
A" |
863 |
906 |
1.050 |
186 |
802 |
|
|
13 |
A" |
746 |
663 |
0.889 |
186 |
803 |
|
|
14 |
A" |
700 |
658 |
0.940 |
186 |
804 |
|
|
15 |
A" |
579 |
578 |
0.997 |
186 |
805 |
CH3PH2 |
Methyl phosphine |
1 |
A' |
3187 |
3000 |
0.941 |
187 |
806 |
|
|
2 |
A' |
3093 |
2938 |
0.950 |
187 |
807 |
|
|
3 |
A' |
2430 |
2297 |
0.945 |
187 |
808 |
|
|
4 |
A' |
1529 |
1450 |
0.948 |
187 |
809 |
|
|
5 |
A' |
1407 |
1238 |
0.880 |
187 |
810 |
|
|
6 |
A' |
1135 |
1086 |
0.956 |
187 |
811 |
|
|
7 |
A' |
1038 |
977 |
0.941 |
187 |
812 |
|
|
8 |
A' |
765 |
740 |
0.967 |
187 |
813 |
|
|
9 |
A' |
709 |
677 |
0.954 |
187 |
814 |
|
|
10 |
A" |
3178 |
2992 |
0.942 |
187 |
815 |
|
|
11 |
A" |
2440 |
2312 |
0.947 |
187 |
816 |
|
|
12 |
A" |
1533 |
1450 |
0.946 |
187 |
817 |
|
|
13 |
A" |
1070 |
1017 |
0.951 |
187 |
818 |
|
|
15 |
A" |
238 |
207 |
0.868 |
187 |
819 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3200 |
3014 |
0.942 |
188 |
820 |
|
|
2 |
A' |
3079 |
2923 |
0.949 |
188 |
821 |
|
|
3 |
A' |
2982 |
2716 |
0.911 |
188 |
822 |
|
|
4 |
A' |
1873 |
1743 |
0.930 |
188 |
823 |
|
|
5 |
A' |
1520 |
1433 |
0.943 |
188 |
824 |
|
|
6 |
A' |
1473 |
1395 |
0.947 |
188 |
825 |
|
|
7 |
A' |
1439 |
1352 |
0.940 |
188 |
826 |
|
|
8 |
A' |
1166 |
1114 |
0.955 |
188 |
827 |
|
|
9 |
A' |
928 |
867 |
0.934 |
188 |
828 |
|
|
10 |
A' |
519 |
509 |
0.981 |
188 |
829 |
|
|
11 |
A" |
3150 |
2964 |
0.941 |
188 |
830 |
|
|
12 |
A" |
1524 |
1431 |
0.939 |
188 |
831 |
|
|
13 |
A" |
1171 |
1102 |
0.941 |
188 |
832 |
|
|
14 |
A" |
800 |
764 |
0.955 |
188 |
833 |
|
|
15 |
A" |
146 |
150 |
1.027 |
188 |
834 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3154 |
3006 |
0.953 |
189 |
835 |
|
|
2 |
A1 |
1597 |
1467 |
0.919 |
189 |
836 |
|
|
3 |
A1 |
1338 |
1267 |
0.947 |
189 |
837 |
|
|
4 |
A1 |
1202 |
1146 |
0.953 |
189 |
838 |
|
|
5 |
A1 |
933 |
857 |
0.918 |
189 |
839 |
|
|
6 |
A2 |
3230 |
3063 |
0.948 |
189 |
840 |
|
|
7 |
A2 |
1211 |
1050 |
0.867 |
189 |
841 |
|
|
8 |
A2 |
1068 |
1020 |
0.955 |
189 |
842 |
|
|
9 |
B1 |
3244 |
3065 |
0.945 |
189 |
843 |
|
|
10 |
B1 |
1195 |
1146 |
0.959 |
189 |
844 |
|
|
11 |
B1 |
841 |
797 |
0.948 |
189 |
845 |
|
|
12 |
B2 |
3145 |
3006 |
0.956 |
189 |
846 |
|
|
13 |
B2 |
1552 |
1459 |
0.940 |
189 |
847 |
|
|
14 |
B2 |
1176 |
1159 |
0.986 |
189 |
848 |
|
|
15 |
B2 |
902 |
824 |
0.914 |
189 |
849 |
H2SO4 |
Sulfuric acid |
1 |
A |
3747 |
3563 |
0.951 |
190 |
850 |
|
|
2 |
A |
1246 |
1216 |
0.976 |
190 |
851 |
|
|
3 |
A |
1226 |
1136 |
0.926 |
190 |
852 |
|
|
4 |
A |
843 |
831 |
0.987 |
190 |
853 |
|
|
5 |
A |
549 |
548 |
0.999 |
190 |
854 |
|
|
6 |
A |
438 |
422 |
0.963 |
190 |
855 |
|
|
7 |
A |
367 |
379 |
1.032 |
190 |
856 |
|
|
8 |
A |
245 |
224 |
0.916 |
190 |
857 |
|
|
9 |
B |
3742 |
3567 |
0.953 |
190 |
858 |
|
|
10 |
B |
1509 |
1452 |
0.962 |
190 |
859 |
|
|
11 |
B |
1239 |
1157 |
0.934 |
190 |
860 |
|
|
12 |
B |
906 |
882 |
0.973 |
190 |
861 |
|
|
13 |
B |
547 |
558 |
1.020 |
190 |
862 |
|
|
14 |
B |
492 |
506 |
1.029 |
190 |
863 |
|
|
15 |
B |
324 |
288 |
0.889 |
190 |
864 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3224 |
3043 |
0.944 |
191 |
865 |
|
|
2 |
A' |
3105 |
2955 |
0.952 |
191 |
866 |
|
|
3 |
A' |
1987 |
1870 |
0.941 |
191 |
867 |
|
|
4 |
A' |
1526 |
1440 |
0.944 |
191 |
868 |
|
|
5 |
A' |
1464 |
1378 |
0.941 |
191 |
869 |
|
|
6 |
A' |
1286 |
1188 |
0.924 |
191 |
870 |
|
|
7 |
A' |
1054 |
1000 |
0.949 |
191 |
871 |
|
|
8 |
A' |
882 |
826 |
0.936 |
191 |
872 |
|
|
9 |
A' |
611 |
598 |
0.978 |
191 |
873 |
|
|
10 |
A' |
418 |
420 |
1.004 |
191 |
874 |
|
|
11 |
A" |
3181 |
3004 |
0.944 |
191 |
875 |
|
|
12 |
A" |
1526 |
1437 |
0.942 |
191 |
876 |
|
|
13 |
A" |
1108 |
1054 |
0.951 |
191 |
877 |
|
|
14 |
A" |
578 |
567 |
0.981 |
191 |
878 |
|
|
15 |
A" |
145 |
123 |
0.848 |
191 |
879 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
774 |
774 |
1.000 |
192 |
880 |
|
|
2 |
Eg |
686 |
642 |
0.935 |
192 |
881 |
|
|
3 |
T1u |
1023 |
948 |
0.926 |
192 |
882 |
|
|
4 |
T1u |
588 |
616 |
1.046 |
192 |
883 |
|
|
5 |
T2g |
500 |
525 |
1.051 |
192 |
884 |
|
|
6 |
T2u |
336 |
347 |
1.034 |
192 |
885 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3211 |
3027 |
0.943 |
193 |
886 |
|
|
2 |
A' |
3102 |
2948 |
0.950 |
193 |
887 |
|
|
3 |
A' |
1929 |
1818 |
0.942 |
193 |
888 |
|
|
4 |
A' |
1520 |
1415 |
0.931 |
193 |
889 |
|
|
5 |
A' |
1451 |
1368 |
0.943 |
193 |
890 |
|
|
6 |
A' |
1170 |
1108 |
0.947 |
193 |
891 |
|
|
7 |
A' |
1009 |
956 |
0.948 |
193 |
892 |
|
|
8 |
A' |
644 |
604 |
0.938 |
193 |
893 |
|
|
9 |
A' |
472 |
445 |
0.943 |
193 |
894 |
|
|
10 |
A' |
355 |
348 |
0.981 |
193 |
895 |
|
|
11 |
A" |
3185 |
2990 |
0.939 |
193 |
896 |
|
|
12 |
A" |
1519 |
1431 |
0.942 |
193 |
897 |
|
|
13 |
A" |
1086 |
1032 |
0.950 |
193 |
898 |
|
|
14 |
A" |
530 |
518 |
0.977 |
193 |
899 |
|
|
15 |
A" |
144 |
166 |
1.150 |
193 |
900 |
C2H6 |
Ethane |
1 |
A1g |
3079 |
2954 |
0.959 |
194 |
901 |
|
|
2 |
A1g |
1487 |
1388 |
0.934 |
194 |
902 |
|
|
3 |
A1g |
1043 |
995 |
0.954 |
194 |
903 |
|
|
4 |
A1u |
323 |
289 |
0.894 |
194 |
904 |
|
|
5 |
A2u |
3078 |
2896 |
0.941 |
194 |
905 |
|
|
6 |
A2u |
1459 |
1379 |
0.945 |
194 |
906 |
|
|
7 |
Eg |
3144 |
2969 |
0.944 |
194 |
907 |
|
|
8 |
Eg |
1554 |
1468 |
0.945 |
194 |
908 |
|
|
9 |
Eg |
1264 |
1190 |
0.941 |
194 |
909 |
|
|
10 |
Eu |
3164 |
2985 |
0.943 |
194 |
910 |
|
|
11 |
Eu |
1559 |
1469 |
0.942 |
194 |
911 |
|
|
12 |
Eu |
845 |
822 |
0.973 |
194 |
912 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3081 |
2898 |
0.941 |
195 |
913 |
|
|
2 |
A1 |
2260 |
2166 |
0.958 |
195 |
914 |
|
|
3 |
A1 |
1373 |
1260 |
0.918 |
195 |
915 |
|
|
4 |
A1 |
961 |
940 |
0.979 |
195 |
916 |
|
|
5 |
A1 |
710 |
700 |
0.986 |
195 |
917 |
|
|
6 |
A2 |
197 |
187 |
0.951 |
195 |
918 |
|
|
7 |
E |
3167 |
2982 |
0.941 |
195 |
919 |
|
|
8 |
E |
2267 |
2169 |
0.957 |
195 |
920 |
|
|
9 |
E |
1518 |
1403 |
0.924 |
195 |
921 |
|
|
10 |
E |
974 |
980 |
1.006 |
195 |
922 |
|
|
11 |
E |
928 |
868 |
0.935 |
195 |
923 |
|
|
12 |
E |
532 |
540 |
1.014 |
195 |
924 |
Si2H6 |
disilane |
1 |
A1g |
2255 |
2152 |
0.954 |
196 |
925 |
|
|
2 |
A1g |
945 |
909 |
0.962 |
196 |
926 |
|
|
3 |
A1g |
453 |
434 |
0.958 |
196 |
927 |
|
|
4 |
A1u |
134 |
131 |
0.975 |
196 |
928 |
|
|
5 |
A2u |
2246 |
2154 |
0.959 |
196 |
929 |
|
|
6 |
A2u |
871 |
844 |
0.969 |
196 |
930 |
|
|
7 |
Eg |
2262 |
2155 |
0.953 |
196 |
931 |
|
|
8 |
Eg |
949 |
929 |
0.979 |
196 |
932 |
|
|
9 |
Eg |
652 |
625 |
0.958 |
196 |
933 |
|
|
10 |
Eu |
2270 |
2179 |
0.960 |
196 |
934 |
|
|
11 |
Eu |
965 |
940 |
0.974 |
196 |
935 |
|
|
12 |
Eu |
381 |
379 |
0.995 |
196 |
936 |
C2H5N |
Aziridine |
1 |
A' |
3516 |
3338 |
0.949 |
197 |
937 |
|
|
2 |
A' |
3257 |
3079 |
0.945 |
197 |
938 |
|
|
3 |
A' |
3169 |
3015 |
0.951 |
197 |
939 |
|
|
4 |
A' |
1584 |
1482 |
0.935 |
197 |
940 |
|
|
5 |
A' |
1341 |
1237 |
0.922 |
197 |
941 |
|
|
6 |
A' |
1289 |
1211 |
0.939 |
197 |
942 |
|
|
7 |
A' |
1164 |
1090 |
0.936 |
197 |
943 |
|
|
8 |
A' |
1041 |
998 |
0.958 |
197 |
944 |
|
|
9 |
A' |
919 |
856 |
0.931 |
197 |
945 |
|
|
10 |
A' |
805 |
773 |
0.960 |
197 |
946 |
|
|
11 |
A" |
3245 |
3079 |
0.949 |
197 |
947 |
|
|
12 |
A" |
3161 |
3015 |
0.954 |
197 |
948 |
|
|
13 |
A" |
1546 |
1463 |
0.946 |
197 |
949 |
|
|
14 |
A" |
1317 |
1268 |
0.963 |
197 |
950 |
|
|
15 |
A" |
1189 |
1131 |
0.951 |
197 |
951 |
|
|
16 |
A" |
1146 |
1095 |
0.955 |
197 |
952 |
|
|
17 |
A" |
945 |
904 |
0.957 |
197 |
953 |
|
|
18 |
A" |
916 |
817 |
0.892 |
197 |
954 |
CH3COOH |
Acetic acid |
1 |
A' |
3742 |
3583 |
0.958 |
198 |
955 |
|
|
2 |
A' |
3221 |
3051 |
0.947 |
198 |
956 |
|
|
3 |
A' |
3104 |
2944 |
0.949 |
198 |
957 |
|
|
4 |
A' |
1922 |
1788 |
0.930 |
198 |
958 |
|
|
5 |
A' |
1528 |
1430 |
0.936 |
198 |
959 |
|
|
6 |
A' |
1475 |
1382 |
0.937 |
198 |
960 |
|
|
7 |
A' |
1403 |
1264 |
0.901 |
198 |
961 |
|
|
8 |
A' |
1268 |
1182 |
0.932 |
198 |
962 |
|
|
9 |
A' |
1041 |
989 |
0.950 |
198 |
963 |
|
|
10 |
A' |
896 |
847 |
0.945 |
198 |
964 |
|
|
11 |
A' |
597 |
657 |
1.101 |
198 |
965 |
|
|
12 |
A' |
429 |
|
|
198 |
966 |
|
|
13 |
A" |
3179 |
2996 |
0.942 |
198 |
967 |
|
|
14 |
A" |
1527 |
1430 |
0.937 |
198 |
968 |
|
|
15 |
A" |
1106 |
1048 |
0.947 |
198 |
969 |
|
|
16 |
A" |
687 |
642 |
0.935 |
198 |
970 |
|
|
17 |
A" |
556 |
534 |
0.960 |
198 |
971 |
|
|
18 |
A" |
98 |
93 |
0.946 |
198 |
972 |
CH3OCHO |
methyl formate |
1 |
A' |
3223 |
3045 |
0.945 |
199 |
973 |
|
|
2 |
A' |
3128 |
2969 |
0.949 |
199 |
974 |
|
|
3 |
A' |
3107 |
2943 |
0.947 |
199 |
975 |
|
|
4 |
A' |
1883 |
1754 |
0.931 |
199 |
976 |
|
|
5 |
A' |
1549 |
1454 |
0.939 |
199 |
977 |
|
|
6 |
A' |
1517 |
1445 |
0.953 |
199 |
978 |
|
|
7 |
A' |
1445 |
1371 |
0.949 |
199 |
979 |
|
|
8 |
A' |
1291 |
1207 |
0.935 |
199 |
980 |
|
|
9 |
A' |
1230 |
1166 |
0.948 |
199 |
981 |
|
|
10 |
A' |
986 |
925 |
0.938 |
199 |
982 |
|
|
11 |
A' |
795 |
767 |
0.965 |
199 |
983 |
|
|
12 |
A' |
317 |
318 |
1.002 |
199 |
984 |
|
|
13 |
A" |
3192 |
3012 |
0.944 |
199 |
985 |
|
|
14 |
A" |
1541 |
1443 |
0.937 |
199 |
986 |
|
|
15 |
A" |
1208 |
1168 |
0.967 |
199 |
987 |
|
|
16 |
A" |
1065 |
1032 |
0.969 |
199 |
988 |
|
|
17 |
A" |
342 |
332 |
0.970 |
199 |
989 |
|
|
18 |
A" |
160 |
130 |
0.811 |
199 |
990 |
C3H3NO |
Isoxazole |
1 |
A' |
3330 |
3160 |
0.949 |
200 |
991 |
|
|
2 |
A' |
3307 |
3128 |
0.946 |
200 |
992 |
|
|
3 |
A' |
3287 |
3086 |
0.939 |
200 |
993 |
|
|
4 |
A' |
1667 |
1561 |
0.936 |
200 |
994 |
|
|
5 |
A' |
1533 |
1433 |
0.935 |
200 |
995 |
|
|
6 |
A' |
1443 |
1371 |
0.950 |
200 |
996 |
|
|
7 |
A' |
1289 |
1218 |
0.945 |
200 |
997 |
|
|
8 |
A' |
1206 |
1130 |
0.937 |
200 |
998 |
|
|
9 |
A' |
1151 |
1096 |
0.952 |
200 |
999 |
|
|
10 |
A' |
1074 |
1024 |
0.954 |
200 |
1000 |
|
|
11 |
A' |
981 |
920 |
0.937 |
200 |
1001 |
|
|
12 |
A' |
939 |
900 |
0.959 |
200 |
1002 |
|
|
13 |
A' |
934 |
857 |
0.918 |
200 |
1003 |
|
|
14 |
A" |
884 |
890 |
1.006 |
200 |
1004 |
|
|
15 |
A" |
854 |
866 |
1.014 |
200 |
1005 |
|
|
16 |
A" |
782 |
765 |
0.978 |
200 |
1006 |
|
|
17 |
A" |
646 |
631 |
0.976 |
200 |
1007 |
|
|
18 |
A" |
603 |
592 |
0.981 |
200 |
1008 |
C3H3NO |
Oxazole |
1 |
A' |
3343 |
3170 |
0.948 |
201 |
1009 |
|
|
2 |
A' |
3322 |
3144 |
0.947 |
201 |
1010 |
|
|
3 |
A' |
3308 |
3141 |
0.950 |
201 |
1011 |
|
|
4 |
A' |
1647 |
1537 |
0.933 |
201 |
1012 |
|
|
5 |
A' |
1597 |
1504 |
0.942 |
201 |
1013 |
|
|
6 |
A' |
1407 |
1324 |
0.941 |
201 |
1014 |
|
|
7 |
A' |
1309 |
1252 |
0.957 |
201 |
1015 |
|
|
8 |
A' |
1233 |
1139 |
0.924 |
201 |
1016 |
|
|
9 |
A' |
1153 |
1086 |
0.942 |
201 |
1017 |
|
|
10 |
A' |
1143 |
1078 |
0.943 |
201 |
1018 |
|
|
11 |
A' |
1109 |
1046 |
0.943 |
201 |
1019 |
|
|
12 |
A' |
941 |
899 |
0.956 |
201 |
1020 |
|
|
13 |
A' |
927 |
854 |
0.922 |
201 |
1021 |
|
|
14 |
A" |
859 |
907 |
1.056 |
201 |
1022 |
|
|
15 |
A" |
840 |
830 |
0.988 |
201 |
1023 |
|
|
16 |
A" |
763 |
750 |
0.983 |
201 |
1024 |
|
|
17 |
A" |
665 |
647 |
0.973 |
201 |
1025 |
|
|
18 |
A" |
620 |
607 |
0.978 |
201 |
1026 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3121 |
2974 |
0.953 |
202 |
1027 |
|
|
2 |
A1 |
1497 |
1412 |
0.943 |
202 |
1028 |
|
|
3 |
A1 |
1353 |
1278 |
0.944 |
202 |
1029 |
|
|
4 |
A1 |
858 |
828 |
0.965 |
202 |
1030 |
|
|
5 |
A1 |
611 |
606 |
0.992 |
202 |
1031 |
|
|
6 |
A2 |
246 |
225 |
0.914 |
202 |
1032 |
|
|
7 |
E |
3217 |
3042 |
0.946 |
202 |
1033 |
|
|
8 |
E |
1536 |
1450 |
0.944 |
202 |
1034 |
|
|
9 |
E |
1335 |
1230 |
0.921 |
202 |
1035 |
|
|
10 |
E |
1025 |
964 |
0.940 |
202 |
1036 |
|
|
11 |
E |
545 |
540 |
0.992 |
202 |
1037 |
|
|
12 |
E |
369 |
365 |
0.990 |
202 |
1038 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1520 |
1420 |
0.934 |
203 |
1039 |
|
|
2 |
A1g |
826 |
809 |
0.979 |
203 |
1040 |
|
|
3 |
A1g |
357 |
349 |
0.977 |
203 |
1041 |
|
|
4 |
A1u |
67 |
68 |
1.014 |
203 |
1042 |
|
|
5 |
A2u |
1169 |
1117 |
0.955 |
203 |
1043 |
|
|
6 |
A2u |
716 |
714 |
0.997 |
203 |
1044 |
|
|
7 |
Eg |
1333 |
1237 |
0.928 |
203 |
1045 |
|
|
8 |
Eg |
629 |
620 |
0.985 |
203 |
1046 |
|
|
9 |
Eg |
384 |
380 |
0.989 |
203 |
1047 |
|
|
10 |
Eu |
1341 |
1251 |
0.933 |
203 |
1048 |
|
|
11 |
Eu |
524 |
523 |
0.998 |
203 |
1049 |
|
|
12 |
Eu |
216 |
216 |
1.001 |
203 |
1050 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3166 |
2967 |
0.937 |
204 |
1051 |
|
|
2 |
A' |
3133 |
2946 |
0.940 |
204 |
1052 |
|
|
3 |
A' |
3086 |
2881 |
0.934 |
204 |
1053 |
|
|
4 |
A' |
1554 |
1463 |
0.942 |
204 |
1054 |
|
|
5 |
A' |
1546 |
1448 |
0.937 |
204 |
1055 |
|
|
6 |
A' |
1472 |
1385 |
0.941 |
204 |
1056 |
|
|
7 |
A' |
1386 |
1289 |
0.930 |
204 |
1057 |
|
|
8 |
A' |
1128 |
1081 |
0.958 |
204 |
1058 |
|
|
9 |
A' |
1028 |
974 |
0.947 |
204 |
1059 |
|
|
10 |
A' |
718 |
677 |
0.943 |
204 |
1060 |
|
|
11 |
A' |
343 |
336 |
0.979 |
204 |
1061 |
|
|
12 |
A" |
3198 |
3014 |
0.942 |
204 |
1062 |
|
|
13 |
A" |
3176 |
2986 |
0.940 |
204 |
1063 |
|
|
14 |
A" |
1539 |
1448 |
0.941 |
204 |
1064 |
|
|
15 |
A" |
1321 |
1251 |
0.947 |
204 |
1065 |
|
|
16 |
A" |
1130 |
974 |
0.862 |
204 |
1066 |
|
|
17 |
A" |
811 |
786 |
0.969 |
204 |
1067 |
|
|
18 |
A" |
275 |
251 |
0.913 |
204 |
1068 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3145 |
2957 |
0.940 |
205 |
1069 |
|
|
1 |
A |
3191 |
3005 |
0.942 |
205 |
1070 |
|
|
2 |
A |
3134 |
2957 |
0.944 |
205 |
1071 |
|
|
2 |
Ag |
1546 |
1445 |
0.935 |
205 |
1072 |
|
|
3 |
Ag |
1416 |
1304 |
0.921 |
205 |
1073 |
|
|
3 |
A |
1531 |
1433 |
0.936 |
205 |
1074 |
|
|
4 |
A |
1410 |
1315 |
0.933 |
205 |
1075 |
|
|
4 |
Ag |
1107 |
1052 |
0.951 |
205 |
1076 |
|
|
5 |
Ag |
829 |
754 |
0.909 |
205 |
1077 |
|
|
5 |
A |
1284 |
1207 |
0.940 |
205 |
1078 |
|
|
6 |
A |
1098 |
1027 |
0.935 |
205 |
1079 |
|
|
6 |
Ag |
313 |
300 |
0.958 |
205 |
1080 |
|
|
7 |
Au |
3221 |
3005 |
0.933 |
205 |
1081 |
|
|
7 |
A |
1005 |
948 |
0.943 |
205 |
1082 |
|
|
8 |
A |
706 |
669 |
0.947 |
205 |
1083 |
|
|
8 |
Au |
1201 |
1123 |
0.935 |
205 |
1084 |
|
|
9 |
Au |
801 |
773 |
0.966 |
205 |
1085 |
|
|
9 |
A |
269 |
272 |
1.011 |
205 |
1086 |
|
|
10 |
A |
121 |
125 |
1.032 |
205 |
1087 |
|
|
10 |
Au |
126 |
123 |
0.974 |
205 |
1088 |
|
|
11 |
Bg |
3202 |
3005 |
0.939 |
205 |
1089 |
|
|
11 |
B |
3201 |
3005 |
0.939 |
205 |
1090 |
|
|
12 |
B |
3126 |
2957 |
0.946 |
205 |
1091 |
|
|
12 |
Bg |
1343 |
1264 |
0.941 |
205 |
1092 |
|
|
13 |
Bg |
1064 |
989 |
0.929 |
205 |
1093 |
|
|
13 |
B |
1527 |
1436 |
0.940 |
205 |
1094 |
|
|
14 |
B |
1389 |
1292 |
0.930 |
205 |
1095 |
|
|
14 |
Bu |
3151 |
2983 |
0.947 |
205 |
1096 |
|
|
15 |
Bu |
1547 |
1461 |
0.945 |
205 |
1097 |
|
|
15 |
B |
1215 |
1146 |
0.943 |
205 |
1098 |
|
|
16 |
B |
941 |
890 |
0.946 |
205 |
1099 |
|
|
16 |
Bu |
1320 |
1232 |
0.933 |
205 |
1100 |
|
|
17 |
Bu |
782 |
728 |
0.931 |
205 |
1101 |
|
|
17 |
B |
736 |
693 |
0.941 |
205 |
1102 |
|
|
18 |
B |
425 |
410 |
0.965 |
205 |
1103 |
|
|
18 |
Bu |
225 |
222 |
0.989 |
205 |
1104 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3106 |
2951 |
0.950 |
206 |
1105 |
|
|
2 |
A1 |
1475 |
1386 |
0.939 |
206 |
1106 |
|
|
3 |
A1 |
1137 |
1075 |
0.946 |
206 |
1107 |
|
|
4 |
A1 |
549 |
526 |
0.957 |
206 |
1108 |
|
|
5 |
A1 |
364 |
344 |
0.945 |
206 |
1109 |
|
|
6 |
A2 |
326 |
214 |
0.656 |
206 |
1110 |
|
|
7 |
E |
3201 |
3014 |
0.942 |
206 |
1111 |
|
|
8 |
E |
1532 |
1457 |
0.951 |
206 |
1112 |
|
|
9 |
E |
1156 |
1088 |
0.941 |
206 |
1113 |
|
|
10 |
E |
785 |
724 |
0.923 |
206 |
1114 |
|
|
11 |
E |
359 |
351 |
0.977 |
206 |
1115 |
|
|
12 |
E |
255 |
239 |
0.937 |
206 |
1116 |
C3H6 |
Cyclopropane |
1 |
A1' |
3190 |
3038 |
0.952 |
207 |
1117 |
|
|
2 |
A1' |
1584 |
1479 |
0.934 |
207 |
1118 |
|
|
3 |
A1' |
1260 |
1188 |
0.943 |
207 |
1119 |
|
|
4 |
A1" |
1192 |
1126 |
0.945 |
207 |
1120 |
|
|
5 |
A2' |
1126 |
1070 |
0.950 |
207 |
1121 |
|
|
6 |
A2" |
3276 |
3103 |
0.947 |
207 |
1122 |
|
|
7 |
A2" |
882 |
854 |
0.968 |
207 |
1123 |
|
|
8 |
E' |
3179 |
3025 |
0.951 |
207 |
1124 |
|
|
9 |
E' |
1525 |
1438 |
0.943 |
207 |
1125 |
|
|
10 |
E' |
1118 |
1029 |
0.921 |
207 |
1126 |
|
|
11 |
E' |
930 |
866 |
0.932 |
207 |
1127 |
|
|
12 |
E" |
3258 |
3082 |
0.946 |
207 |
1128 |
|
|
13 |
E" |
1252 |
1188 |
0.949 |
207 |
1129 |
|
|
14 |
E" |
769 |
739 |
0.960 |
207 |
1130 |
CH2CHCH3 |
Propene |
1 |
A' |
3266 |
3090 |
0.946 |
208 |
1131 |
|
|
2 |
A' |
3186 |
3013 |
0.946 |
208 |
1132 |
|
|
3 |
A' |
3175 |
2991 |
0.942 |
208 |
1133 |
|
|
4 |
A' |
3154 |
2954 |
0.937 |
208 |
1134 |
|
|
5 |
A' |
3068 |
2871 |
0.936 |
208 |
1135 |
|
|
6 |
A' |
1761 |
1650 |
0.937 |
208 |
1136 |
|
|
7 |
A' |
1549 |
1470 |
0.949 |
208 |
1137 |
|
|
8 |
A' |
1498 |
1420 |
0.948 |
208 |
1138 |
|
|
9 |
A' |
1461 |
1378 |
0.943 |
208 |
1139 |
|
|
10 |
A' |
1357 |
1297 |
0.956 |
208 |
1140 |
|
|
11 |
A' |
1225 |
1171 |
0.956 |
208 |
1141 |
|
|
12 |
A' |
973 |
963 |
0.989 |
208 |
1142 |
|
|
13 |
A' |
954 |
920 |
0.965 |
208 |
1143 |
|
|
14 |
A' |
432 |
428 |
0.990 |
208 |
1144 |
|
|
15 |
A" |
3133 |
2954 |
0.943 |
208 |
1145 |
|
|
16 |
A" |
1534 |
1443 |
0.941 |
208 |
1146 |
|
|
17 |
A" |
1103 |
1045 |
0.948 |
208 |
1147 |
|
|
18 |
A" |
1029 |
991 |
0.963 |
208 |
1148 |
|
|
19 |
A" |
934 |
912 |
0.976 |
208 |
1149 |
|
|
20 |
A" |
591 |
578 |
0.978 |
208 |
1150 |
|
|
21 |
A" |
195 |
174 |
0.894 |
208 |
1151 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3705 |
3523 |
0.951 |
209 |
1152 |
|
|
2 |
A' |
3314 |
3155 |
0.952 |
209 |
1153 |
|
|
3 |
A' |
3296 |
3137 |
0.952 |
209 |
1154 |
|
|
4 |
A' |
3284 |
3126 |
0.952 |
209 |
1155 |
|
|
5 |
A' |
1624 |
1531 |
0.943 |
209 |
1156 |
|
|
6 |
A' |
1548 |
1447 |
0.935 |
209 |
1157 |
|
|
7 |
A' |
1484 |
1395 |
0.940 |
209 |
1158 |
|
|
8 |
A' |
1433 |
1358 |
0.948 |
209 |
1159 |
|
|
9 |
A' |
1324 |
1254 |
0.947 |
209 |
1160 |
|
|
10 |
A' |
1226 |
1159 |
0.946 |
209 |
1161 |
|
|
11 |
A' |
1181 |
1121 |
0.949 |
209 |
1162 |
|
|
12 |
A' |
1092 |
1054 |
0.965 |
209 |
1163 |
|
|
13 |
A' |
1087 |
1009 |
0.928 |
209 |
1164 |
|
|
14 |
A' |
956 |
924 |
0.967 |
209 |
1165 |
|
|
15 |
A' |
936 |
908 |
0.970 |
209 |
1166 |
|
|
16 |
A" |
864 |
879 |
1.017 |
209 |
1167 |
|
|
17 |
A" |
818 |
833 |
1.019 |
209 |
1168 |
|
|
18 |
A" |
753 |
745 |
0.990 |
209 |
1169 |
|
|
19 |
A" |
700 |
674 |
0.963 |
209 |
1170 |
|
|
20 |
A" |
631 |
623 |
0.987 |
209 |
1171 |
|
|
21 |
A" |
510 |
516 |
1.013 |
209 |
1172 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3700 |
3517 |
0.951 |
210 |
1173 |
|
|
2 |
A' |
3319 |
3143 |
0.947 |
210 |
1174 |
|
|
3 |
A' |
3292 |
3123 |
0.949 |
210 |
1175 |
|
|
4 |
A' |
3290 |
3110 |
0.945 |
210 |
1176 |
|
|
5 |
A' |
1618 |
1448 |
0.895 |
210 |
1177 |
|
|
6 |
A' |
1565 |
1404 |
0.897 |
210 |
1178 |
|
|
7 |
A' |
1508 |
1328 |
0.880 |
210 |
1179 |
|
|
8 |
A' |
1418 |
1265 |
0.892 |
210 |
1180 |
|
|
9 |
A' |
1317 |
1188 |
0.902 |
210 |
1181 |
|
|
10 |
A' |
1191 |
1098 |
0.922 |
210 |
1182 |
|
|
11 |
A' |
1187 |
1062 |
0.894 |
210 |
1183 |
|
|
12 |
A' |
1136 |
1013 |
0.892 |
210 |
1184 |
|
|
13 |
A' |
1110 |
988 |
0.890 |
210 |
1185 |
|
|
14 |
A' |
957 |
923 |
0.964 |
210 |
1186 |
|
|
15 |
A' |
920 |
898 |
0.976 |
210 |
1187 |
|
|
16 |
A" |
839 |
831 |
0.990 |
210 |
1188 |
|
|
17 |
A" |
816 |
758 |
0.929 |
210 |
1189 |
|
|
18 |
A" |
719 |
674 |
0.937 |
210 |
1190 |
|
|
19 |
A" |
685 |
663 |
0.968 |
210 |
1191 |
|
|
20 |
A" |
641 |
621 |
0.968 |
210 |
1192 |
|
|
21 |
A" |
493 |
539 |
1.094 |
210 |
1193 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3178 |
2996 |
0.943 |
211 |
1194 |
|
|
2 |
A1 |
3035 |
2817 |
0.928 |
211 |
1195 |
|
|
3 |
A1 |
1570 |
1464 |
0.932 |
211 |
1196 |
|
|
4 |
A1 |
1539 |
1452 |
0.943 |
211 |
1197 |
|
|
5 |
A1 |
1302 |
1244 |
0.955 |
211 |
1198 |
|
|
6 |
A1 |
983 |
928 |
0.944 |
211 |
1199 |
|
|
7 |
A1 |
431 |
418 |
0.970 |
211 |
1200 |
|
|
8 |
A2 |
3088 |
2952 |
0.956 |
211 |
1201 |
|
|
9 |
A2 |
1536 |
1464 |
0.953 |
211 |
1202 |
|
|
10 |
A2 |
1190 |
1150 |
0.967 |
211 |
1203 |
|
|
11 |
A2 |
213 |
203 |
0.955 |
211 |
1204 |
|
|
12 |
B1 |
3085 |
2925 |
0.948 |
211 |
1205 |
|
|
13 |
B1 |
1547 |
1464 |
0.946 |
211 |
1206 |
|
|
14 |
B1 |
1227 |
1179 |
0.961 |
211 |
1207 |
|
|
15 |
B1 |
263 |
242 |
0.919 |
211 |
1208 |
|
|
16 |
B2 |
3176 |
2996 |
0.943 |
211 |
1209 |
|
|
17 |
B2 |
3025 |
2817 |
0.931 |
211 |
1210 |
|
|
18 |
B2 |
1553 |
1464 |
0.943 |
211 |
1211 |
|
|
19 |
B2 |
1505 |
1452 |
0.965 |
211 |
1212 |
|
|
20 |
B2 |
1250 |
1227 |
0.981 |
211 |
1213 |
|
|
21 |
B2 |
1153 |
1102 |
0.955 |
211 |
1214 |
C4H4O |
Furan |
1 |
A1 |
3325 |
3161 |
0.951 |
212 |
1215 |
|
|
2 |
A1 |
3296 |
3140 |
0.953 |
212 |
1216 |
|
|
3 |
A1 |
1576 |
1491 |
0.946 |
212 |
1217 |
|
|
4 |
A1 |
1464 |
1384 |
0.945 |
212 |
1218 |
|
|
5 |
A1 |
1196 |
1140 |
0.953 |
212 |
1219 |
|
|
6 |
A1 |
1116 |
1066 |
0.955 |
212 |
1220 |
|
|
7 |
A1 |
1045 |
995 |
0.952 |
212 |
1221 |
|
|
8 |
A1 |
895 |
871 |
0.973 |
212 |
1222 |
|
|
9 |
A2 |
808 |
838 |
1.038 |
212 |
1223 |
|
|
10 |
A2 |
728 |
728 |
0.999 |
212 |
1224 |
|
|
11 |
A2 |
586 |
603 |
1.028 |
212 |
1225 |
|
|
12 |
B1 |
824 |
863 |
1.047 |
212 |
1226 |
|
|
13 |
B1 |
764 |
745 |
0.976 |
212 |
1227 |
|
|
14 |
B1 |
617 |
613 |
0.994 |
212 |
1228 |
|
|
15 |
B2 |
3319 |
3154 |
0.950 |
212 |
1229 |
|
|
16 |
B2 |
3285 |
3129 |
0.953 |
212 |
1230 |
|
|
17 |
B2 |
1661 |
1556 |
0.937 |
212 |
1231 |
|
|
18 |
B2 |
1324 |
1267 |
0.957 |
212 |
1232 |
|
|
19 |
B2 |
1273 |
1180 |
0.927 |
212 |
1233 |
|
|
20 |
B2 |
1102 |
1040 |
0.944 |
212 |
1234 |
|
|
21 |
B2 |
900 |
873 |
0.970 |
212 |
1235 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3138 |
3001 |
0.956 |
213 |
1236 |
|
|
2 |
A' |
3129 |
2935 |
0.938 |
213 |
1237 |
|
|
3 |
A' |
1998 |
1882 |
0.942 |
213 |
1238 |
|
|
4 |
A' |
1580 |
1475 |
0.933 |
213 |
1239 |
|
|
5 |
A' |
1515 |
1427 |
0.942 |
213 |
1240 |
|
|
6 |
A' |
1395 |
1319 |
0.946 |
213 |
1241 |
|
|
7 |
A' |
1274 |
1199 |
0.941 |
213 |
1242 |
|
|
8 |
A' |
1171 |
1093 |
0.934 |
213 |
1243 |
|
|
9 |
A' |
1052 |
1005 |
0.955 |
213 |
1244 |
|
|
10 |
A' |
1009 |
924 |
0.916 |
213 |
1245 |
|
|
11 |
A' |
929 |
891 |
0.959 |
213 |
1246 |
|
|
12 |
A' |
773 |
746 |
0.965 |
213 |
1247 |
|
|
13 |
A' |
508 |
513 |
1.010 |
213 |
1248 |
|
|
14 |
A" |
3202 |
3028 |
0.946 |
213 |
1249 |
|
|
15 |
A" |
3187 |
3000 |
0.941 |
213 |
1250 |
|
|
16 |
A" |
1233 |
1184 |
0.960 |
213 |
1251 |
|
|
17 |
A" |
1188 |
1139 |
0.959 |
213 |
1252 |
|
|
18 |
A" |
1096 |
1046 |
0.954 |
213 |
1253 |
|
|
19 |
A" |
826 |
790 |
0.956 |
213 |
1254 |
|
|
20 |
A" |
528 |
490 |
0.928 |
213 |
1255 |
|
|
21 |
A" |
177 |
113 |
0.638 |
213 |
1256 |
CH3CH2SH |
ethanethiol |
1 |
A |
3176 |
2980 |
0.938 |
214 |
1257 |
|
|
1 |
A' |
3165 |
2966 |
0.937 |
214 |
1258 |
|
|
2 |
A' |
3109 |
2872 |
0.924 |
214 |
1259 |
|
|
2 |
A |
3158 |
2967 |
0.940 |
214 |
1260 |
|
|
3 |
A |
3149 |
2930 |
0.930 |
214 |
1261 |
|
|
3 |
A' |
3085 |
2872 |
0.931 |
214 |
1262 |
|
|
4 |
A' |
2727 |
2580 |
0.946 |
214 |
1263 |
|
|
4 |
A |
3109 |
2902 |
0.934 |
214 |
1264 |
|
|
5 |
A |
3078 |
2875 |
0.934 |
214 |
1265 |
|
|
5 |
A' |
1557 |
1453 |
0.933 |
214 |
1266 |
|
|
6 |
A' |
1549 |
1453 |
0.938 |
214 |
1267 |
|
|
6 |
A |
2721 |
2591 |
0.952 |
214 |
1268 |
|
|
7 |
A |
1552 |
1462 |
0.942 |
214 |
1269 |
|
|
7 |
A' |
1472 |
1385 |
0.941 |
214 |
1270 |
|
|
8 |
A' |
1372 |
1309 |
0.954 |
214 |
1271 |
|
|
8 |
A |
1545 |
1452 |
0.940 |
214 |
1272 |
|
|
9 |
A |
1536 |
1437 |
0.935 |
214 |
1273 |
|
|
9 |
A' |
1153 |
1097 |
0.951 |
214 |
1274 |
|
|
10 |
A' |
1035 |
978 |
0.944 |
214 |
1275 |
|
|
10 |
A |
1471 |
1377 |
0.936 |
214 |
1276 |
|
|
11 |
A |
1376 |
1269 |
0.922 |
214 |
1277 |
|
|
11 |
A' |
899 |
870 |
0.968 |
214 |
1278 |
|
|
12 |
A' |
712 |
660 |
0.927 |
214 |
1279 |
|
|
12 |
A |
1326 |
1246 |
0.940 |
214 |
1280 |
|
|
13 |
A |
1170 |
1093 |
0.934 |
214 |
1281 |
|
|
13 |
A' |
315 |
332 |
1.055 |
214 |
1282 |
|
|
14 |
A" |
3175 |
2966 |
0.934 |
214 |
1283 |
|
|
14 |
A |
1110 |
1051 |
0.947 |
214 |
1284 |
|
|
15 |
A |
1029 |
970 |
0.943 |
214 |
1285 |
|
|
15 |
A" |
3155 |
2930 |
0.929 |
214 |
1286 |
|
|
16 |
A" |
1546 |
1453 |
0.940 |
214 |
1287 |
|
|
16 |
A |
906 |
867 |
0.957 |
214 |
1288 |
|
|
17 |
A |
765 |
735 |
0.960 |
214 |
1289 |
|
|
17 |
A" |
1314 |
1269 |
0.965 |
214 |
1290 |
|
|
18 |
A" |
1097 |
1049 |
0.956 |
214 |
1291 |
|
|
18 |
A |
700 |
658 |
0.940 |
214 |
1292 |
|
|
19 |
A |
340 |
319 |
0.938 |
214 |
1293 |
|
|
19 |
A" |
817 |
745 |
0.912 |
214 |
1294 |
|
|
20 |
A |
273 |
|
|
214 |
1295 |
|
|
21 |
A |
223 |
|
|
214 |
1296 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3187 |
2997 |
0.940 |
215 |
1297 |
|
|
2 |
A1 |
3084 |
2925 |
0.948 |
215 |
1298 |
|
|
3 |
A1 |
1543 |
1447 |
0.938 |
215 |
1299 |
|
|
4 |
A1 |
1447 |
1337 |
0.924 |
215 |
1300 |
|
|
5 |
A1 |
1100 |
1030 |
0.937 |
215 |
1301 |
|
|
6 |
A1 |
734 |
695 |
0.947 |
215 |
1302 |
|
|
7 |
A1 |
280 |
280 |
0.999 |
215 |
1303 |
|
|
8 |
A2 |
3173 |
2970 |
0.936 |
215 |
1304 |
|
|
9 |
A2 |
1515 |
1427 |
0.942 |
215 |
1305 |
|
|
10 |
A2 |
1005 |
946 |
0.941 |
215 |
1306 |
|
|
11 |
A2 |
182 |
175 |
0.963 |
215 |
1307 |
|
|
12 |
B1 |
3167 |
2970 |
0.938 |
215 |
1308 |
|
|
13 |
B1 |
1526 |
1439 |
0.943 |
215 |
1309 |
|
|
14 |
B1 |
1041 |
973 |
0.934 |
215 |
1310 |
|
|
15 |
B1 |
189 |
183 |
0.966 |
215 |
1311 |
|
|
16 |
B2 |
3187 |
2999 |
0.941 |
215 |
1312 |
|
|
17 |
B2 |
3087 |
2919 |
0.946 |
215 |
1313 |
|
|
18 |
B2 |
1534 |
1442 |
0.940 |
215 |
1314 |
|
|
19 |
B2 |
1423 |
1315 |
0.924 |
215 |
1315 |
|
|
20 |
B2 |
961 |
903 |
0.940 |
215 |
1316 |
|
|
21 |
B2 |
791 |
742 |
0.938 |
215 |
1317 |
C4H4S |
Thiophene |
1 |
A1 |
3292 |
3126 |
0.950 |
216 |
1318 |
|
|
2 |
A1 |
3256 |
3098 |
0.951 |
216 |
1319 |
|
|
3 |
A1 |
1508 |
1409 |
0.934 |
216 |
1320 |
|
|
4 |
A1 |
1447 |
1360 |
0.940 |
216 |
1321 |
|
|
5 |
A1 |
1144 |
1083 |
0.947 |
216 |
1322 |
|
|
6 |
A1 |
1077 |
1036 |
0.962 |
216 |
1323 |
|
|
7 |
A1 |
866 |
872 |
1.007 |
216 |
1324 |
|
|
8 |
A1 |
627 |
608 |
0.970 |
216 |
1325 |
|
|
9 |
A2 |
871 |
867 |
0.996 |
216 |
1326 |
|
|
10 |
A2 |
696 |
688 |
0.988 |
216 |
1327 |
|
|
11 |
A2 |
552 |
567 |
1.027 |
216 |
1328 |
|
|
12 |
B1 |
876 |
839 |
0.957 |
216 |
1329 |
|
|
13 |
B1 |
730 |
712 |
0.976 |
216 |
1330 |
|
|
14 |
B1 |
451 |
452 |
1.003 |
216 |
1331 |
|
|
15 |
B2 |
3290 |
3125 |
0.950 |
216 |
1332 |
|
|
16 |
B2 |
3243 |
3086 |
0.952 |
216 |
1333 |
|
|
17 |
B2 |
1623 |
1504 |
0.926 |
216 |
1334 |
|
|
18 |
B2 |
1320 |
1256 |
0.952 |
216 |
1335 |
|
|
19 |
B2 |
1145 |
1085 |
0.948 |
216 |
1336 |
|
|
20 |
B2 |
910 |
903 |
0.992 |
216 |
1337 |
|
|
21 |
B2 |
774 |
751 |
0.970 |
216 |
1338 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3272 |
3087 |
0.943 |
217 |
1339 |
|
|
2 |
Ag |
3190 |
3003 |
0.941 |
217 |
1340 |
|
|
3 |
Ag |
3173 |
2992 |
0.943 |
217 |
1341 |
|
|
4 |
Ag |
1769 |
1630 |
0.921 |
217 |
1342 |
|
|
5 |
Ag |
1514 |
1438 |
0.950 |
217 |
1343 |
|
|
6 |
Ag |
1346 |
1280 |
0.951 |
217 |
1344 |
|
|
7 |
Ag |
1260 |
1196 |
0.949 |
217 |
1345 |
|
|
8 |
Ag |
917 |
894 |
0.975 |
217 |
1346 |
|
|
9 |
Ag |
522 |
512 |
0.980 |
217 |
1347 |
|
|
10 |
Au |
1045 |
1013 |
0.969 |
217 |
1348 |
|
|
11 |
Au |
929 |
908 |
0.978 |
217 |
1349 |
|
|
12 |
Au |
531 |
522 |
0.984 |
217 |
1350 |
|
|
13 |
Au |
153 |
162 |
1.055 |
217 |
1351 |
|
|
14 |
Bg |
995 |
976 |
0.981 |
217 |
1352 |
|
|
15 |
Bg |
929 |
912 |
0.981 |
217 |
1353 |
|
|
16 |
Bg |
770 |
770 |
1.000 |
217 |
1354 |
|
|
17 |
Bu |
3273 |
3101 |
0.948 |
217 |
1355 |
|
|
18 |
Bu |
3189 |
3055 |
0.958 |
217 |
1356 |
|
|
19 |
Bu |
3180 |
2984 |
0.938 |
217 |
1357 |
|
|
20 |
Bu |
1698 |
1596 |
0.940 |
217 |
1358 |
|
|
21 |
Bu |
1452 |
1381 |
0.951 |
217 |
1359 |
|
|
22 |
Bu |
1352 |
1294 |
0.957 |
217 |
1360 |
|
|
23 |
Bu |
1026 |
990 |
0.965 |
217 |
1361 |
|
|
24 |
Bu |
300 |
301 |
1.003 |
217 |
1362 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3076 |
2916 |
0.948 |
218 |
1363 |
|
|
2 |
A1' |
2402 |
2240 |
0.932 |
218 |
1364 |
|
|
3 |
A1' |
1471 |
1380 |
0.938 |
218 |
1365 |
|
|
4 |
A1' |
736 |
725 |
0.985 |
218 |
1366 |
|
|
6 |
A2" |
3077 |
2938 |
0.955 |
218 |
1367 |
|
|
7 |
A2" |
1467 |
1382 |
0.942 |
218 |
1368 |
|
|
8 |
A2" |
1195 |
1152 |
0.964 |
218 |
1369 |
|
|
9 |
E' |
3152 |
2973 |
0.943 |
218 |
1370 |
|
|
10 |
E' |
1537 |
1456 |
0.947 |
218 |
1371 |
|
|
11 |
E' |
1090 |
1054 |
0.967 |
218 |
1372 |
|
|
12 |
E' |
198 |
213 |
1.076 |
218 |
1373 |
|
|
13 |
E" |
3152 |
2966 |
0.941 |
218 |
1374 |
|
|
14 |
E" |
1536 |
1448 |
0.942 |
218 |
1375 |
|
|
15 |
E" |
1056 |
1029 |
0.975 |
218 |
1376 |
|
|
16 |
E" |
241 |
371 |
1.541 |
218 |
1377 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3181 |
3061 |
0.962 |
219 |
1378 |
|
|
2 |
A' |
3177 |
3010 |
0.947 |
219 |
1379 |
|
|
3 |
A' |
3167 |
2965 |
0.936 |
219 |
1380 |
|
|
4 |
A' |
3074 |
2905 |
0.945 |
219 |
1381 |
|
|
5 |
A' |
2099 |
1970 |
0.939 |
219 |
1382 |
|
|
6 |
A' |
1555 |
1453 |
0.934 |
219 |
1383 |
|
|
7 |
A' |
1525 |
1437 |
0.943 |
219 |
1384 |
|
|
8 |
A' |
1466 |
1389 |
0.947 |
219 |
1385 |
|
|
9 |
A' |
1410 |
1330 |
0.943 |
219 |
1386 |
|
|
10 |
A' |
1181 |
1132 |
0.959 |
219 |
1387 |
|
|
11 |
A' |
1128 |
1074 |
0.952 |
219 |
1388 |
|
|
12 |
A' |
906 |
876 |
0.967 |
219 |
1389 |
|
|
13 |
A' |
891 |
859 |
0.964 |
219 |
1390 |
|
|
14 |
A' |
571 |
555 |
0.973 |
219 |
1391 |
|
|
15 |
A' |
210 |
210 |
1.002 |
219 |
1392 |
|
|
16 |
A" |
3253 |
3061 |
0.941 |
219 |
1393 |
|
|
17 |
A" |
3140 |
2965 |
0.944 |
219 |
1394 |
|
|
18 |
A" |
1537 |
1453 |
0.945 |
219 |
1395 |
|
|
19 |
A" |
1097 |
1110 |
1.012 |
219 |
1396 |
|
|
20 |
A" |
1055 |
1011 |
0.958 |
219 |
1397 |
|
|
21 |
A" |
909 |
842 |
0.926 |
219 |
1398 |
|
|
22 |
A" |
543 |
523 |
0.963 |
219 |
1399 |
|
|
23 |
A" |
334 |
322 |
0.963 |
219 |
1400 |
C4H6 |
Cyclobutene |
1 |
A1 |
3250 |
3060 |
0.941 |
220 |
1401 |
|
|
2 |
A1 |
3091 |
2935 |
0.950 |
220 |
1402 |
|
|
3 |
A1 |
1678 |
1570 |
0.936 |
220 |
1403 |
|
|
4 |
A1 |
1553 |
1450 |
0.934 |
220 |
1404 |
|
|
5 |
A1 |
1271 |
1276 |
1.004 |
220 |
1405 |
|
|
6 |
A1 |
1169 |
1186 |
1.015 |
220 |
1406 |
|
|
7 |
A1 |
1035 |
1113 |
1.075 |
220 |
1407 |
|
|
8 |
A1 |
931 |
886 |
0.952 |
220 |
1408 |
|
|
9 |
A2 |
3130 |
2955 |
0.944 |
220 |
1409 |
|
|
10 |
A2 |
1207 |
1276 |
1.057 |
220 |
1410 |
|
|
11 |
A2 |
1070 |
1081 |
1.011 |
220 |
1411 |
|
|
12 |
A2 |
913 |
850 |
0.931 |
220 |
1412 |
|
|
13 |
A2 |
309 |
325 |
1.051 |
220 |
1413 |
|
|
14 |
B1 |
3143 |
2955 |
0.940 |
220 |
1414 |
|
|
15 |
B1 |
1130 |
1074 |
0.950 |
220 |
1415 |
|
|
16 |
B1 |
896 |
846 |
0.945 |
220 |
1416 |
|
|
17 |
B1 |
662 |
635 |
0.959 |
220 |
1417 |
|
|
18 |
B2 |
3219 |
3047 |
0.947 |
220 |
1418 |
|
|
19 |
B2 |
3085 |
2916 |
0.945 |
220 |
1419 |
|
|
20 |
B2 |
1530 |
1427 |
0.933 |
220 |
1420 |
|
|
21 |
B2 |
1364 |
1294 |
0.949 |
220 |
1421 |
|
|
22 |
B2 |
1274 |
1214 |
0.953 |
220 |
1422 |
|
|
23 |
B2 |
934 |
888 |
0.951 |
220 |
1423 |
|
|
24 |
B2 |
872 |
740 |
0.848 |
220 |
1424 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3177 |
3010 |
0.947 |
221 |
1425 |
|
|
2 |
A1 |
3163 |
3002 |
0.949 |
221 |
1426 |
|
|
3 |
A1 |
1891 |
1743 |
0.922 |
221 |
1427 |
|
|
4 |
A1 |
1539 |
1437 |
0.934 |
221 |
1428 |
|
|
5 |
A1 |
1488 |
1410 |
0.947 |
221 |
1429 |
|
|
6 |
A1 |
1106 |
1036 |
0.936 |
221 |
1430 |
|
|
7 |
A1 |
1086 |
1002 |
0.923 |
221 |
1431 |
|
|
8 |
A1 |
769 |
723 |
0.940 |
221 |
1432 |
|
|
9 |
A2 |
3235 |
3051 |
0.943 |
221 |
1433 |
|
|
10 |
A2 |
1206 |
1144 |
0.949 |
221 |
1434 |
|
|
11 |
A2 |
983 |
937 |
0.953 |
221 |
1435 |
|
|
12 |
A2 |
636 |
616 |
0.969 |
221 |
1436 |
|
|
13 |
B1 |
3246 |
3071 |
0.946 |
221 |
1437 |
|
|
14 |
B1 |
1132 |
1072 |
0.947 |
221 |
1438 |
|
|
15 |
B1 |
916 |
889 |
0.971 |
221 |
1439 |
|
|
16 |
B1 |
785 |
748 |
0.953 |
221 |
1440 |
|
|
17 |
B1 |
287 |
360 |
1.254 |
221 |
1441 |
|
|
18 |
B2 |
3259 |
3086 |
0.947 |
221 |
1442 |
|
|
19 |
B2 |
3159 |
2999 |
0.949 |
221 |
1443 |
|
|
20 |
B2 |
1503 |
1353 |
0.900 |
221 |
1444 |
|
|
21 |
B2 |
1184 |
1174 |
0.992 |
221 |
1445 |
|
|
22 |
B2 |
1117 |
1125 |
1.007 |
221 |
1446 |
|
|
23 |
B2 |
937 |
792 |
0.846 |
221 |
1447 |
|
|
24 |
B2 |
361 |
290 |
0.803 |
221 |
1448 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3483 |
3345 |
0.960 |
222 |
1449 |
|
|
2 |
A' |
3147 |
2985 |
0.948 |
222 |
1450 |
|
|
3 |
A' |
3083 |
2840 |
0.921 |
222 |
1451 |
|
|
4 |
A' |
3065 |
2860 |
0.933 |
222 |
1452 |
|
|
5 |
A' |
1732 |
1622 |
0.937 |
222 |
1453 |
|
|
6 |
A' |
1560 |
1487 |
0.953 |
222 |
1454 |
|
|
7 |
A' |
1543 |
1465 |
0.949 |
222 |
1455 |
|
|
8 |
A' |
1466 |
1378 |
0.940 |
222 |
1456 |
|
|
9 |
A' |
1425 |
1397 |
0.981 |
222 |
1457 |
|
|
10 |
A' |
1200 |
1016 |
0.847 |
222 |
1458 |
|
|
11 |
A' |
1114 |
1086 |
0.975 |
222 |
1459 |
|
|
12 |
A' |
952 |
892 |
0.937 |
222 |
1460 |
|
|
13 |
A' |
909 |
773 |
0.850 |
222 |
1461 |
|
|
14 |
A' |
413 |
403 |
0.976 |
222 |
1462 |
|
|
15 |
A" |
3572 |
3412 |
0.955 |
222 |
1463 |
|
|
16 |
A" |
3148 |
2924 |
0.929 |
222 |
1464 |
|
|
17 |
A" |
3121 |
2906 |
0.931 |
222 |
1465 |
|
|
18 |
A" |
1548 |
1455 |
0.940 |
222 |
1466 |
|
|
19 |
A" |
1428 |
1238 |
0.867 |
222 |
1467 |
|
|
20 |
A" |
1315 |
1293 |
0.984 |
222 |
1468 |
|
|
21 |
A" |
1035 |
1117 |
1.079 |
222 |
1469 |
|
|
22 |
A" |
796 |
816 |
1.025 |
222 |
1470 |
|
|
23 |
A" |
317 |
259 |
0.817 |
222 |
1471 |
|
|
24 |
A" |
268 |
218 |
0.814 |
222 |
1472 |
C4H5N |
Pyrrole |
1 |
A1 |
3707 |
3531 |
0.952 |
223 |
1473 |
|
|
2 |
A1 |
3303 |
3149 |
0.953 |
223 |
1474 |
|
|
3 |
A1 |
3281 |
3128 |
0.953 |
223 |
1475 |
|
|
4 |
A1 |
1556 |
1472 |
0.946 |
223 |
1476 |
|
|
5 |
A1 |
1475 |
1401 |
0.950 |
223 |
1477 |
|
|
6 |
A1 |
1204 |
1148 |
0.954 |
223 |
1478 |
|
|
7 |
A1 |
1128 |
1075 |
0.953 |
223 |
1479 |
|
|
8 |
A1 |
1067 |
1017 |
0.953 |
223 |
1480 |
|
|
9 |
A1 |
912 |
882 |
0.967 |
223 |
1481 |
|
|
10 |
A2 |
814 |
864 |
1.062 |
223 |
1482 |
|
|
11 |
A2 |
677 |
692 |
1.023 |
223 |
1483 |
|
|
12 |
A2 |
606 |
614 |
1.013 |
223 |
1484 |
|
|
13 |
B1 |
804 |
827 |
1.028 |
223 |
1485 |
|
|
14 |
B1 |
731 |
722 |
0.988 |
223 |
1486 |
|
|
15 |
B1 |
639 |
621 |
0.972 |
223 |
1487 |
|
|
16 |
B1 |
437 |
475 |
1.086 |
223 |
1488 |
|
|
17 |
B2 |
3297 |
3143 |
0.953 |
223 |
1489 |
|
|
18 |
B2 |
3270 |
3119 |
0.954 |
223 |
1490 |
|
|
19 |
B2 |
1635 |
1519 |
0.929 |
223 |
1491 |
|
|
20 |
B2 |
1530 |
1424 |
0.931 |
223 |
1492 |
|
|
21 |
B2 |
1346 |
1288 |
0.958 |
223 |
1493 |
|
|
22 |
B2 |
1200 |
1134 |
0.945 |
223 |
1494 |
|
|
23 |
B2 |
1104 |
1049 |
0.950 |
223 |
1495 |
|
|
24 |
B2 |
890 |
866 |
0.973 |
223 |
1496 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3287 |
3120 |
0.949 |
224 |
1497 |
|
|
2 |
A' |
3224 |
3052 |
0.947 |
224 |
1498 |
|
|
3 |
A' |
3197 |
3044 |
0.952 |
224 |
1499 |
|
|
4 |
A' |
2381 |
2264 |
0.951 |
224 |
1500 |
|
|
5 |
A' |
1566 |
1468 |
0.938 |
224 |
1501 |
|
|
6 |
A' |
1434 |
1344 |
0.937 |
224 |
1502 |
|
|
7 |
A' |
1260 |
1195 |
0.948 |
224 |
1503 |
|
|
8 |
A' |
1173 |
1125 |
0.959 |
224 |
1504 |
|
|
9 |
A' |
1125 |
1049 |
0.932 |
224 |
1505 |
|
|
10 |
A' |
998 |
941 |
0.943 |
224 |
1506 |
|
|
11 |
A' |
836 |
808 |
0.966 |
224 |
1507 |
|
|
12 |
A' |
780 |
736 |
0.944 |
224 |
1508 |
|
|
13 |
A' |
532 |
527 |
0.991 |
224 |
1509 |
|
|
14 |
A' |
213 |
222 |
1.042 |
224 |
1510 |
|
|
15 |
A" |
3276 |
3094 |
0.944 |
224 |
1511 |
|
|
16 |
A" |
3191 |
3040 |
0.953 |
224 |
1512 |
|
|
17 |
A" |
1519 |
1442 |
0.950 |
224 |
1513 |
|
|
18 |
A" |
1237 |
1180 |
0.954 |
224 |
1514 |
|
|
19 |
A" |
1158 |
1070 |
0.924 |
224 |
1515 |
|
|
20 |
A" |
1132 |
1088 |
0.961 |
224 |
1516 |
|
|
21 |
A" |
964 |
880 |
0.913 |
224 |
1517 |
|
|
22 |
A" |
864 |
821 |
0.950 |
224 |
1518 |
|
|
23 |
A" |
546 |
543 |
0.994 |
224 |
1519 |
|
|
24 |
A" |
216 |
222 |
1.026 |
224 |
1520 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3233 |
3055 |
0.945 |
225 |
1521 |
|
|
2 |
Ag |
1687 |
1580 |
0.936 |
225 |
1522 |
|
|
3 |
Ag |
1288 |
1233 |
0.957 |
225 |
1523 |
|
|
4 |
Ag |
1064 |
1016 |
0.955 |
225 |
1524 |
|
|
5 |
Ag |
615 |
602 |
0.979 |
225 |
1525 |
|
|
6 |
Au |
980 |
960 |
0.980 |
225 |
1526 |
|
|
7 |
Au |
365 |
350 |
0.959 |
225 |
1527 |
|
|
8 |
B1g |
951 |
927 |
0.975 |
225 |
1528 |
|
|
9 |
B1u |
3212 |
3012 |
0.938 |
225 |
1529 |
|
|
10 |
B1u |
1558 |
1483 |
0.952 |
225 |
1530 |
|
|
11 |
B1u |
1190 |
1130 |
0.949 |
225 |
1531 |
|
|
12 |
B1u |
1057 |
1018 |
0.963 |
225 |
1532 |
|
|
13 |
B2g |
961 |
983 |
1.023 |
225 |
1533 |
|
|
14 |
B2g |
756 |
756 |
1.000 |
225 |
1534 |
|
|
15 |
B2u |
3227 |
3069 |
0.951 |
225 |
1535 |
|
|
16 |
B2u |
1479 |
1411 |
0.954 |
225 |
1536 |
|
|
17 |
B2u |
1178 |
1149 |
0.975 |
225 |
1537 |
|
|
18 |
B2u |
1125 |
1063 |
0.945 |
225 |
1538 |
|
|
19 |
B3g |
3211 |
3040 |
0.947 |
225 |
1539 |
|
|
20 |
B3g |
1634 |
1525 |
0.933 |
225 |
1540 |
|
|
21 |
B3g |
1403 |
1346 |
0.960 |
225 |
1541 |
|
|
22 |
B3g |
727 |
704 |
0.969 |
225 |
1542 |
|
|
23 |
B3u |
810 |
785 |
0.969 |
225 |
1543 |
|
|
24 |
B3u |
434 |
418 |
0.964 |
225 |
1544 |
CH3COCH3 |
Acetone |
1 |
A1 |
3201 |
3019 |
0.943 |
226 |
1545 |
|
|
2 |
A1 |
3083 |
2937 |
0.953 |
226 |
1546 |
|
|
3 |
A1 |
1872 |
1731 |
0.925 |
226 |
1547 |
|
|
4 |
A1 |
1528 |
1435 |
0.939 |
226 |
1548 |
|
|
5 |
A1 |
1445 |
1364 |
0.944 |
226 |
1549 |
|
|
6 |
A1 |
1118 |
1066 |
0.954 |
226 |
1550 |
|
|
7 |
A1 |
819 |
777 |
0.949 |
226 |
1551 |
|
|
8 |
A1 |
385 |
385 |
1.000 |
226 |
1552 |
|
|
9 |
A2 |
3147 |
2963 |
0.941 |
226 |
1553 |
|
|
10 |
A2 |
1519 |
1426 |
0.939 |
226 |
1554 |
|
|
11 |
A2 |
926 |
877 |
0.948 |
226 |
1555 |
|
|
12 |
A2 |
68 |
77 |
1.138 |
226 |
1556 |
|
|
13 |
B1 |
3153 |
2972 |
0.943 |
226 |
1557 |
|
|
14 |
B1 |
1539 |
1454 |
0.945 |
226 |
1558 |
|
|
15 |
B1 |
1160 |
1091 |
0.941 |
226 |
1559 |
|
|
16 |
B1 |
495 |
484 |
0.977 |
226 |
1560 |
|
|
17 |
B1 |
142 |
125 |
0.881 |
226 |
1561 |
|
|
18 |
B2 |
3200 |
3019 |
0.943 |
226 |
1562 |
|
|
19 |
B2 |
3078 |
2937 |
0.954 |
226 |
1563 |
|
|
20 |
B2 |
1521 |
1410 |
0.927 |
226 |
1564 |
|
|
21 |
B2 |
1453 |
1364 |
0.939 |
226 |
1565 |
|
|
22 |
B2 |
1290 |
1216 |
0.942 |
226 |
1566 |
|
|
23 |
B2 |
933 |
891 |
0.955 |
226 |
1567 |
|
|
24 |
B2 |
545 |
530 |
0.973 |
226 |
1568 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3790 |
3675 |
0.970 |
227 |
1569 |
|
|
2 |
A |
3269 |
3102 |
0.949 |
227 |
1570 |
|
|
3 |
A |
3203 |
3022 |
0.944 |
227 |
1571 |
|
|
4 |
A |
3183 |
2995 |
0.941 |
227 |
1572 |
|
|
5 |
A |
3065 |
2934 |
0.957 |
227 |
1573 |
|
|
6 |
A |
3022 |
2866 |
0.948 |
227 |
1574 |
|
|
7 |
A |
1764 |
1654 |
0.938 |
227 |
1575 |
|
|
8 |
A |
1574 |
1453 |
0.923 |
227 |
1576 |
|
|
9 |
A |
1520 |
1414 |
0.930 |
227 |
1577 |
|
|
10 |
A |
1466 |
1384 |
0.943 |
227 |
1578 |
|
|
11 |
A |
1342 |
1320 |
0.984 |
227 |
1579 |
|
|
12 |
A |
1306 |
1293 |
0.990 |
227 |
1580 |
|
|
13 |
A |
1276 |
1191 |
0.933 |
227 |
1581 |
|
|
14 |
A |
1192 |
1132 |
0.949 |
227 |
1582 |
|
|
15 |
A |
1116 |
1110 |
0.995 |
227 |
1583 |
|
|
16 |
A |
1030 |
1038 |
1.007 |
227 |
1584 |
|
|
17 |
A |
1001 |
995 |
0.994 |
227 |
1585 |
|
|
18 |
A |
949 |
919 |
0.968 |
227 |
1586 |
|
|
19 |
A |
943 |
885 |
0.938 |
227 |
1587 |
|
|
20 |
A |
658 |
606 |
0.921 |
227 |
1588 |
|
|
22 |
A |
339 |
377 |
1.115 |
227 |
1589 |
|
|
23 |
A |
280 |
277 |
0.991 |
227 |
1590 |
|
|
24 |
A |
111 |
188 |
1.692 |
227 |
1591 |
CH3CH2CHO |
Propanal |
1 |
A' |
3173 |
2981 |
0.939 |
228 |
1592 |
|
|
2 |
A' |
3094 |
2904 |
0.939 |
228 |
1593 |
|
|
3 |
A' |
3061 |
2895 |
0.946 |
228 |
1594 |
|
|
4 |
A' |
2975 |
2809 |
0.944 |
228 |
1595 |
|
|
5 |
A' |
1869 |
1743 |
0.933 |
228 |
1596 |
|
|
6 |
A' |
1552 |
1460 |
0.941 |
228 |
1597 |
|
|
7 |
A' |
1522 |
1416 |
0.930 |
228 |
1598 |
|
|
8 |
A' |
1479 |
1390 |
0.940 |
228 |
1599 |
|
|
9 |
A' |
1458 |
1376 |
0.944 |
228 |
1600 |
|
|
10 |
A' |
1423 |
1335 |
0.938 |
228 |
1601 |
|
|
11 |
A' |
1150 |
1093 |
0.951 |
228 |
1602 |
|
|
12 |
A' |
1037 |
993 |
0.958 |
228 |
1603 |
|
|
13 |
A' |
893 |
848 |
0.949 |
228 |
1604 |
|
|
14 |
A' |
688 |
668 |
0.971 |
228 |
1605 |
|
|
15 |
A' |
271 |
271 |
1.000 |
228 |
1606 |
|
|
16 |
A" |
3179 |
2992 |
0.941 |
228 |
1607 |
|
|
17 |
A" |
3095 |
2942 |
0.950 |
228 |
1608 |
|
|
18 |
A" |
1548 |
1451 |
0.937 |
228 |
1609 |
|
|
19 |
A" |
1318 |
1250 |
0.948 |
228 |
1610 |
|
|
20 |
A" |
1187 |
1118 |
0.942 |
228 |
1611 |
|
|
21 |
A" |
926 |
892 |
0.964 |
228 |
1612 |
|
|
22 |
A" |
704 |
660 |
0.938 |
228 |
1613 |
|
|
23 |
A" |
241 |
220 |
0.914 |
228 |
1614 |
|
|
24 |
A" |
140 |
135 |
0.965 |
228 |
1615 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3198 |
3018 |
0.944 |
229 |
1616 |
|
|
2 |
A |
3157 |
2985 |
0.945 |
229 |
1617 |
|
|
3 |
A |
3125 |
2958 |
0.947 |
229 |
1618 |
|
|
4 |
A |
3058 |
2945 |
0.963 |
229 |
1619 |
|
|
5 |
A |
3053 |
2922 |
0.957 |
229 |
1620 |
|
|
6 |
A |
2379 |
2245 |
0.944 |
229 |
1621 |
|
|
7 |
A |
1559 |
1472 |
0.944 |
229 |
1622 |
|
|
8 |
A |
1545 |
1452 |
0.940 |
229 |
1623 |
|
|
9 |
A |
1540 |
1439 |
0.935 |
229 |
1624 |
|
|
10 |
A |
1523 |
1431 |
0.940 |
229 |
1625 |
|
|
11 |
A |
1428 |
1368 |
0.958 |
229 |
1626 |
|
|
12 |
A |
1342 |
1287 |
0.959 |
229 |
1627 |
|
|
13 |
A |
1256 |
1199 |
0.955 |
229 |
1628 |
|
|
14 |
A |
1213 |
1161 |
0.957 |
229 |
1629 |
|
|
15 |
A |
1197 |
1127 |
0.941 |
229 |
1630 |
|
|
16 |
A |
1063 |
1016 |
0.956 |
229 |
1631 |
|
|
17 |
A |
979 |
925 |
0.944 |
229 |
1632 |
|
|
18 |
A |
925 |
890 |
0.962 |
229 |
1633 |
|
|
19 |
A |
603 |
586 |
0.972 |
229 |
1634 |
|
|
20 |
A |
405 |
404 |
0.998 |
229 |
1635 |
|
|
21 |
A |
355 |
347 |
0.977 |
229 |
1636 |
|
|
22 |
A |
260 |
243 |
0.935 |
229 |
1637 |
|
|
23 |
A |
178 |
170 |
0.955 |
229 |
1638 |
|
|
24 |
A |
120 |
113 |
0.945 |
229 |
1639 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3199 |
2990 |
0.935 |
230 |
1640 |
|
|
2 |
A |
3184 |
2983 |
0.937 |
230 |
1641 |
|
|
3 |
A |
3095 |
2913 |
0.941 |
230 |
1642 |
|
|
4 |
A |
1530 |
1426 |
0.932 |
230 |
1643 |
|
|
5 |
A |
1517 |
1419 |
0.935 |
230 |
1644 |
|
|
6 |
A |
1432 |
1311 |
0.915 |
230 |
1645 |
|
|
7 |
A |
1029 |
955 |
0.928 |
230 |
1646 |
|
|
8 |
A |
1023 |
949 |
0.928 |
230 |
1647 |
|
|
9 |
A |
747 |
694 |
0.929 |
230 |
1648 |
|
|
10 |
A |
523 |
509 |
0.973 |
230 |
1649 |
|
|
11 |
A |
241 |
240 |
0.996 |
230 |
1650 |
|
|
12 |
A |
158 |
134 |
0.850 |
230 |
1651 |
|
|
13 |
A |
97 |
117 |
1.201 |
230 |
1652 |
|
|
14 |
B |
3199 |
2990 |
0.935 |
230 |
1653 |
|
|
15 |
B |
3184 |
2983 |
0.937 |
230 |
1654 |
|
|
16 |
B |
3093 |
2915 |
0.942 |
230 |
1655 |
|
|
17 |
B |
1534 |
1430 |
0.932 |
230 |
1656 |
|
|
18 |
B |
1510 |
1415 |
0.937 |
230 |
1657 |
|
|
19 |
B |
1425 |
1303 |
0.914 |
230 |
1658 |
|
|
20 |
B |
1029 |
955 |
0.928 |
230 |
1659 |
|
|
21 |
B |
1020 |
949 |
0.930 |
230 |
1660 |
|
|
22 |
B |
742 |
691 |
0.931 |
230 |
1661 |
|
|
23 |
B |
271 |
274 |
1.011 |
230 |
1662 |
|
|
24 |
B |
169 |
134 |
0.793 |
230 |
1663 |
C3H8 |
Propane |
1 |
A1 |
3152 |
2977 |
0.944 |
231 |
1664 |
|
|
2 |
A1 |
3072 |
2962 |
0.964 |
231 |
1665 |
|
|
3 |
A1 |
3071 |
2887 |
0.940 |
231 |
1666 |
|
|
4 |
A1 |
1567 |
1476 |
0.942 |
231 |
1667 |
|
|
5 |
A1 |
1547 |
1462 |
0.945 |
231 |
1668 |
|
|
6 |
A1 |
1477 |
1392 |
0.943 |
231 |
1669 |
|
|
7 |
A1 |
1217 |
1158 |
0.951 |
231 |
1670 |
|
|
8 |
A1 |
908 |
869 |
0.957 |
231 |
1671 |
|
|
9 |
A1 |
378 |
369 |
0.976 |
231 |
1672 |
|
|
10 |
A2 |
3143 |
2967 |
0.944 |
231 |
1673 |
|
|
11 |
A2 |
1544 |
1451 |
0.940 |
231 |
1674 |
|
|
12 |
A2 |
1353 |
1278 |
0.945 |
231 |
1675 |
|
|
13 |
A2 |
936 |
940 |
1.004 |
231 |
1676 |
|
|
14 |
A2 |
229 |
216 |
0.941 |
231 |
1677 |
|
|
15 |
B1 |
3152 |
2973 |
0.943 |
231 |
1678 |
|
|
16 |
B1 |
3106 |
2968 |
0.956 |
231 |
1679 |
|
|
17 |
B1 |
1560 |
1472 |
0.943 |
231 |
1680 |
|
|
18 |
B1 |
1261 |
1192 |
0.945 |
231 |
1681 |
|
|
19 |
B1 |
769 |
748 |
0.973 |
231 |
1682 |
|
|
20 |
B1 |
285 |
268 |
0.941 |
231 |
1683 |
|
|
21 |
B2 |
3150 |
2968 |
0.942 |
231 |
1684 |
|
|
22 |
B2 |
3069 |
2887 |
0.941 |
231 |
1685 |
|
|
23 |
B2 |
1550 |
1464 |
0.944 |
231 |
1686 |
|
|
24 |
B2 |
1467 |
1378 |
0.940 |
231 |
1687 |
|
|
25 |
B2 |
1415 |
1338 |
0.945 |
231 |
1688 |
|
|
26 |
B2 |
1104 |
1054 |
0.954 |
231 |
1689 |
|
|
27 |
B2 |
957 |
922 |
0.963 |
231 |
1690 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3266 |
3091 |
0.947 |
232 |
1691 |
|
|
2 |
A1 |
3241 |
3075 |
0.949 |
232 |
1692 |
|
|
3 |
A1 |
3066 |
2886 |
0.941 |
232 |
1693 |
|
|
4 |
A1 |
1626 |
1500 |
0.922 |
232 |
1694 |
|
|
5 |
A1 |
1491 |
1378 |
0.924 |
232 |
1695 |
|
|
6 |
A1 |
1445 |
1365 |
0.945 |
232 |
1696 |
|
|
7 |
A1 |
1163 |
1106 |
0.951 |
232 |
1697 |
|
|
8 |
A1 |
1039 |
994 |
0.957 |
232 |
1698 |
|
|
9 |
A1 |
956 |
915 |
0.957 |
232 |
1699 |
|
|
10 |
A1 |
822 |
802 |
0.976 |
232 |
1700 |
|
|
11 |
A2 |
1164 |
1100 |
0.945 |
232 |
1701 |
|
|
12 |
A2 |
907 |
941 |
1.037 |
232 |
1702 |
|
|
13 |
A2 |
718 |
700 |
0.975 |
232 |
1703 |
|
|
14 |
A2 |
509 |
516 |
1.014 |
232 |
1704 |
|
|
15 |
B1 |
3102 |
2900 |
0.935 |
232 |
1705 |
|
|
16 |
B1 |
966 |
925 |
0.958 |
232 |
1706 |
|
|
17 |
B1 |
933 |
891 |
0.955 |
232 |
1707 |
|
|
18 |
B1 |
685 |
664 |
0.969 |
232 |
1708 |
|
|
19 |
B1 |
347 |
350 |
1.008 |
232 |
1709 |
|
|
20 |
B2 |
3259 |
3105 |
0.953 |
232 |
1710 |
|
|
21 |
B2 |
3232 |
3043 |
0.942 |
232 |
1711 |
|
|
22 |
B2 |
1695 |
1580 |
0.932 |
232 |
1712 |
|
|
23 |
B2 |
1361 |
1292 |
0.949 |
232 |
1713 |
|
|
24 |
B2 |
1322 |
1239 |
0.937 |
232 |
1714 |
|
|
25 |
B2 |
1147 |
1090 |
0.950 |
232 |
1715 |
|
|
26 |
B2 |
1006 |
959 |
0.953 |
232 |
1716 |
|
|
27 |
B2 |
826 |
805 |
0.974 |
232 |
1717 |
C3H7N |
Cyclopropylamine |
1 |
A' |
3497 |
3348 |
0.957 |
233 |
1718 |
|
|
2 |
A' |
3278 |
3100 |
0.946 |
233 |
1719 |
|
|
3 |
A' |
3188 |
3032 |
0.951 |
233 |
1720 |
|
|
4 |
A' |
3123 |
2975 |
0.952 |
233 |
1721 |
|
|
5 |
A' |
1726 |
1617 |
0.937 |
233 |
1722 |
|
|
6 |
A' |
1570 |
1456 |
0.927 |
233 |
1723 |
|
|
7 |
A' |
1468 |
1374 |
0.936 |
233 |
1724 |
|
|
8 |
A' |
1285 |
1214 |
0.945 |
233 |
1725 |
|
|
9 |
A' |
1217 |
1168 |
0.960 |
233 |
1726 |
|
|
10 |
A' |
1114 |
1150 |
1.032 |
233 |
1727 |
|
|
11 |
A' |
1054 |
1020 |
0.968 |
233 |
1728 |
|
|
12 |
A' |
915 |
989 |
1.081 |
233 |
1729 |
|
|
13 |
A' |
851 |
805 |
0.946 |
233 |
1730 |
|
|
14 |
A' |
801 |
762 |
0.951 |
233 |
1731 |
|
|
15 |
A' |
420 |
408 |
0.971 |
233 |
1732 |
|
|
16 |
A" |
3585 |
3412 |
0.952 |
233 |
1733 |
|
|
17 |
A" |
3267 |
3100 |
0.949 |
233 |
1734 |
|
|
18 |
A" |
3181 |
3023 |
0.950 |
233 |
1735 |
|
|
19 |
A" |
1506 |
1424 |
0.946 |
233 |
1736 |
|
|
20 |
A" |
1319 |
1104 |
0.837 |
233 |
1737 |
|
|
21 |
A" |
1236 |
1045 |
0.845 |
233 |
1738 |
|
|
22 |
A" |
1175 |
1026 |
0.874 |
233 |
1739 |
|
|
23 |
A" |
1117 |
940 |
0.842 |
233 |
1740 |
|
|
24 |
A" |
947 |
884 |
0.933 |
233 |
1741 |
|
|
25 |
A" |
875 |
830 |
0.948 |
233 |
1742 |
|
|
26 |
A" |
409 |
396 |
0.967 |
233 |
1743 |
|
|
27 |
A" |
291 |
254 |
0.872 |
233 |
1744 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3217 |
3035 |
0.943 |
234 |
1745 |
|
|
2 |
A' |
3216 |
3031 |
0.943 |
234 |
1746 |
|
|
3 |
A' |
3104 |
2966 |
0.956 |
234 |
1747 |
|
|
4 |
A' |
3102 |
2964 |
0.956 |
234 |
1748 |
|
|
5 |
A' |
1899 |
1771 |
0.933 |
234 |
1749 |
|
|
6 |
A' |
1551 |
1460 |
0.942 |
234 |
1750 |
|
|
7 |
A' |
1529 |
1440 |
0.942 |
234 |
1751 |
|
|
8 |
A' |
1522 |
1430 |
0.940 |
234 |
1752 |
|
|
9 |
A' |
1458 |
1375 |
0.943 |
234 |
1753 |
|
|
10 |
A' |
1347 |
1248 |
0.927 |
234 |
1754 |
|
|
11 |
A' |
1244 |
1159 |
0.932 |
234 |
1755 |
|
|
12 |
A' |
1129 |
1060 |
0.939 |
234 |
1756 |
|
|
13 |
A' |
1026 |
980 |
0.955 |
234 |
1757 |
|
|
14 |
A' |
892 |
844 |
0.946 |
234 |
1758 |
|
|
15 |
A' |
662 |
639 |
0.965 |
234 |
1759 |
|
|
16 |
A' |
434 |
429 |
0.989 |
234 |
1760 |
|
|
17 |
A' |
295 |
303 |
1.026 |
234 |
1761 |
|
|
18 |
A" |
3189 |
3005 |
0.942 |
234 |
1762 |
|
|
19 |
A" |
3178 |
2994 |
0.942 |
234 |
1763 |
|
|
20 |
A" |
1540 |
1460 |
0.948 |
234 |
1764 |
|
|
21 |
A" |
1527 |
1430 |
0.937 |
234 |
1765 |
|
|
22 |
A" |
1208 |
1187 |
0.983 |
234 |
1766 |
|
|
23 |
A" |
1102 |
1036 |
0.940 |
234 |
1767 |
|
|
24 |
A" |
615 |
607 |
0.986 |
234 |
1768 |
|
|
25 |
A" |
182 |
187 |
1.025 |
234 |
1769 |
|
|
26 |
A" |
159 |
136 |
0.858 |
234 |
1770 |
|
|
27 |
A" |
85 |
110 |
1.301 |
234 |
1771 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3210 |
3022 |
0.941 |
235 |
1772 |
|
|
2 |
A |
3186 |
3004 |
0.943 |
235 |
1773 |
|
|
3 |
A |
3179 |
2991 |
0.941 |
235 |
1774 |
|
|
4 |
A |
3150 |
2970 |
0.943 |
235 |
1775 |
|
|
5 |
A |
3142 |
2949 |
0.939 |
235 |
1776 |
|
|
6 |
A |
3094 |
2908 |
0.940 |
235 |
1777 |
|
|
7 |
A |
1550 |
1462 |
0.943 |
235 |
1778 |
|
|
8 |
A |
1545 |
1459 |
0.945 |
235 |
1779 |
|
|
9 |
A |
1534 |
1446 |
0.943 |
235 |
1780 |
|
|
10 |
A |
1475 |
1391 |
0.943 |
235 |
1781 |
|
|
11 |
A |
1429 |
1347 |
0.943 |
235 |
1782 |
|
|
12 |
A |
1386 |
1286 |
0.928 |
235 |
1783 |
|
|
13 |
A |
1324 |
1238 |
0.935 |
235 |
1784 |
|
|
14 |
A |
1271 |
1181 |
0.929 |
235 |
1785 |
|
|
15 |
A |
1190 |
1120 |
0.941 |
235 |
1786 |
|
|
16 |
A |
1139 |
1076 |
0.945 |
235 |
1787 |
|
|
17 |
A |
1077 |
1023 |
0.949 |
235 |
1788 |
|
|
18 |
A |
952 |
890 |
0.935 |
235 |
1789 |
|
|
19 |
A |
910 |
850 |
0.934 |
235 |
1790 |
|
|
20 |
A |
806 |
750 |
0.931 |
235 |
1791 |
|
|
21 |
A |
730 |
685 |
0.938 |
235 |
1792 |
|
|
22 |
A |
426 |
417 |
0.979 |
235 |
1793 |
|
|
23 |
A |
368 |
358 |
0.973 |
235 |
1794 |
|
|
24 |
A |
295 |
285 |
0.967 |
235 |
1795 |
|
|
25 |
A |
263 |
250 |
0.952 |
235 |
1796 |
|
|
26 |
A |
216 |
203 |
0.939 |
235 |
1797 |
|
|
27 |
A |
117 |
108 |
0.920 |
235 |
1798 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3182 |
2989 |
0.939 |
236 |
1799 |
|
|
2 |
A1 |
3162 |
2941 |
0.930 |
236 |
1800 |
|
|
3 |
A1 |
3065 |
2911 |
0.950 |
236 |
1801 |
|
|
4 |
A1 |
1776 |
1661 |
0.935 |
236 |
1802 |
|
|
5 |
A1 |
1555 |
1470 |
0.945 |
236 |
1803 |
|
|
6 |
A1 |
1494 |
1416 |
0.948 |
236 |
1804 |
|
|
7 |
A1 |
1463 |
1366 |
0.933 |
236 |
1805 |
|
|
8 |
A1 |
1114 |
1064 |
0.955 |
236 |
1806 |
|
|
9 |
A1 |
839 |
801 |
0.955 |
236 |
1807 |
|
|
10 |
A1 |
384 |
383 |
0.997 |
236 |
1808 |
|
|
11 |
A2 |
3123 |
2970 |
0.951 |
236 |
1809 |
|
|
12 |
A2 |
1525 |
1459 |
0.957 |
236 |
1810 |
|
|
13 |
A2 |
1049 |
1076 |
1.026 |
236 |
1811 |
|
|
14 |
A2 |
714 |
|
|
236 |
1812 |
|
|
15 |
A2 |
170 |
193 |
1.132 |
236 |
1813 |
|
|
16 |
B1 |
3126 |
2945 |
0.942 |
236 |
1814 |
|
|
17 |
B1 |
1541 |
1444 |
0.937 |
236 |
1815 |
|
|
18 |
B1 |
1141 |
1079 |
0.946 |
236 |
1816 |
|
|
19 |
B1 |
915 |
890 |
0.973 |
236 |
1817 |
|
|
20 |
B1 |
432 |
429 |
0.992 |
236 |
1818 |
|
|
21 |
B1 |
203 |
196 |
0.966 |
236 |
1819 |
|
|
22 |
B2 |
3261 |
3086 |
0.946 |
236 |
1820 |
|
|
23 |
B2 |
3161 |
2980 |
0.943 |
236 |
1821 |
|
|
24 |
B2 |
3061 |
2893 |
0.945 |
236 |
1822 |
|
|
25 |
B2 |
1543 |
1458 |
0.945 |
236 |
1823 |
|
|
26 |
B2 |
1470 |
1381 |
0.940 |
236 |
1824 |
|
|
27 |
B2 |
1343 |
1282 |
0.954 |
236 |
1825 |
|
|
28 |
B2 |
1009 |
1043 |
1.033 |
236 |
1826 |
|
|
29 |
B2 |
995 |
974 |
0.978 |
236 |
1827 |
|
|
30 |
B2 |
442 |
430 |
0.973 |
236 |
1828 |
CH3CHCHCH3 |
2-Butene, (Z)- |
1 |
A1 |
3193 |
3033 |
0.950 |
237 |
1829 |
|
|
2 |
A1 |
3179 |
2965 |
0.933 |
237 |
1830 |
|
|
3 |
A1 |
3074 |
2878 |
0.936 |
237 |
1831 |
|
|
4 |
A1 |
1789 |
1669 |
0.933 |
237 |
1832 |
|
|
5 |
A1 |
1553 |
1448 |
0.932 |
237 |
1833 |
|
|
6 |
A1 |
1478 |
1397 |
0.945 |
237 |
1834 |
|
|
7 |
A1 |
1330 |
1261 |
0.948 |
237 |
1835 |
|
|
8 |
A1 |
1059 |
986 |
0.931 |
237 |
1836 |
|
|
9 |
A1 |
895 |
880 |
0.984 |
237 |
1837 |
|
|
10 |
A1 |
304 |
290 |
0.955 |
237 |
1838 |
|
|
11 |
A2 |
3130 |
2988 |
0.955 |
237 |
1839 |
|
|
12 |
A2 |
1536 |
1464 |
0.953 |
237 |
1840 |
|
|
13 |
A2 |
1090 |
1037 |
0.951 |
237 |
1841 |
|
|
14 |
A2 |
1002 |
880 |
0.878 |
237 |
1842 |
|
|
15 |
A2 |
387 |
396 |
1.023 |
237 |
1843 |
|
|
17 |
B1 |
3130 |
2965 |
0.947 |
237 |
1844 |
|
|
18 |
B1 |
1541 |
1448 |
0.940 |
237 |
1845 |
|
|
19 |
B1 |
1102 |
986 |
0.895 |
237 |
1846 |
|
|
20 |
B1 |
709 |
673 |
0.949 |
237 |
1847 |
|
|
22 |
B2 |
3174 |
3033 |
0.956 |
237 |
1848 |
|
|
23 |
B2 |
3159 |
2965 |
0.939 |
237 |
1849 |
|
|
24 |
B2 |
3070 |
2900 |
0.945 |
237 |
1850 |
|
|
25 |
B2 |
1544 |
1448 |
0.938 |
237 |
1851 |
|
|
26 |
B2 |
1489 |
1420 |
0.953 |
237 |
1852 |
|
|
27 |
B2 |
1439 |
1397 |
0.971 |
237 |
1853 |
|
|
28 |
B2 |
1188 |
1135 |
0.955 |
237 |
1854 |
|
|
29 |
B2 |
1015 |
986 |
0.972 |
237 |
1855 |
|
|
30 |
B2 |
575 |
583 |
1.014 |
237 |
1856 |
C6H6 |
Benzene |
1 |
A1g |
3232 |
3062 |
0.947 |
238 |
1857 |
|
|
2 |
A1g |
1037 |
992 |
0.956 |
238 |
1858 |
|
|
3 |
A2g |
1399 |
1326 |
0.948 |
238 |
1859 |
|
|
4 |
A2u |
692 |
673 |
0.972 |
238 |
1860 |
|
|
5 |
B1u |
3197 |
3068 |
0.960 |
238 |
1861 |
|
|
6 |
B1u |
1031 |
1010 |
0.980 |
238 |
1862 |
|
|
7 |
B2g |
914 |
995 |
1.088 |
238 |
1863 |
|
|
8 |
B2g |
571 |
703 |
1.231 |
238 |
1864 |
|
|
9 |
B2u |
1334 |
1310 |
0.982 |
238 |
1865 |
|
|
10 |
B2u |
1197 |
1150 |
0.961 |
238 |
1866 |
|
|
11 |
E1g |
856 |
849 |
0.992 |
238 |
1867 |
|
|
12 |
E1u |
3222 |
3063 |
0.951 |
238 |
1868 |
|
|
13 |
E1u |
1553 |
1486 |
0.957 |
238 |
1869 |
|
|
14 |
E1u |
1089 |
1038 |
0.953 |
238 |
1870 |
|
|
15 |
E2g |
3206 |
3047 |
0.950 |
238 |
1871 |
|
|
16 |
E2g |
1697 |
1596 |
0.940 |
238 |
1872 |
|
|
17 |
E2g |
1231 |
1178 |
0.957 |
238 |
1873 |
|
|
18 |
E2g |
626 |
606 |
0.968 |
238 |
1874 |
|
|
19 |
E2u |
923 |
975 |
1.056 |
238 |
1875 |
|
|
20 |
E2u |
404 |
410 |
1.015 |
238 |
1876 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3273 |
3088 |
0.943 |
239 |
1877 |
|
|
2 |
A |
3198 |
3017 |
0.943 |
239 |
1878 |
|
|
3 |
A |
3185 |
3011 |
0.945 |
239 |
1879 |
|
|
4 |
A |
3180 |
2990 |
0.940 |
239 |
1880 |
|
|
5 |
A |
3167 |
2974 |
0.939 |
239 |
1881 |
|
|
6 |
A |
3136 |
2967 |
0.946 |
239 |
1882 |
|
|
7 |
A |
3085 |
2927 |
0.949 |
239 |
1883 |
|
|
8 |
A |
1756 |
1645 |
0.937 |
239 |
1884 |
|
|
9 |
A |
1546 |
1452 |
0.939 |
239 |
1885 |
|
|
10 |
A |
1539 |
1447 |
0.940 |
239 |
1886 |
|
|
11 |
A |
1500 |
1424 |
0.949 |
239 |
1887 |
|
|
12 |
A |
1467 |
1375 |
0.937 |
239 |
1888 |
|
|
13 |
A |
1374 |
1297 |
0.944 |
239 |
1889 |
|
|
14 |
A |
1350 |
1283 |
0.951 |
239 |
1890 |
|
|
15 |
A |
1323 |
1233 |
0.932 |
239 |
1891 |
|
|
16 |
A |
1236 |
1174 |
0.950 |
239 |
1892 |
|
|
17 |
A |
1151 |
1090 |
0.947 |
239 |
1893 |
|
|
18 |
A |
1084 |
1025 |
0.945 |
239 |
1894 |
|
|
19 |
A |
1025 |
988 |
0.964 |
239 |
1895 |
|
|
20 |
A |
1009 |
966 |
0.957 |
239 |
1896 |
|
|
21 |
A |
953 |
931 |
0.977 |
239 |
1897 |
|
|
22 |
A |
908 |
864 |
0.952 |
239 |
1898 |
|
|
23 |
A |
751 |
708 |
0.943 |
239 |
1899 |
|
|
24 |
A |
664 |
625 |
0.942 |
239 |
1900 |
|
|
25 |
A |
473 |
456 |
0.963 |
239 |
1901 |
|
|
26 |
A |
332 |
319 |
0.962 |
239 |
1902 |
|
|
27 |
A |
313 |
305 |
0.974 |
239 |
1903 |
|
|
28 |
A |
292 |
283 |
0.968 |
239 |
1904 |
|
|
29 |
A |
264 |
245 |
0.927 |
239 |
1905 |
|
|
30 |
A |
96 |
92 |
0.958 |
239 |
1906 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3277 |
3095 |
0.944 |
240 |
1907 |
|
|
2 |
A' |
3266 |
3095 |
0.948 |
240 |
1908 |
|
|
3 |
A' |
3199 |
3000 |
0.938 |
240 |
1909 |
|
|
4 |
A' |
3185 |
3000 |
0.942 |
240 |
1910 |
|
|
5 |
A' |
3177 |
3000 |
0.944 |
240 |
1911 |
|
|
6 |
A' |
3167 |
2984 |
0.942 |
240 |
1912 |
|
|
7 |
A' |
3073 |
2904 |
0.945 |
240 |
1913 |
|
|
8 |
A' |
1766 |
1638 |
0.927 |
240 |
1914 |
|
|
9 |
A' |
1710 |
1607 |
0.940 |
240 |
1915 |
|
|
10 |
A' |
1555 |
1464 |
0.941 |
240 |
1916 |
|
|
11 |
A' |
1505 |
1420 |
0.943 |
240 |
1917 |
|
|
12 |
A' |
1479 |
1389 |
0.939 |
240 |
1918 |
|
|
13 |
A' |
1458 |
1363 |
0.935 |
240 |
1919 |
|
|
14 |
A' |
1373 |
1313 |
0.957 |
240 |
1920 |
|
|
15 |
A' |
1358 |
1303 |
0.960 |
240 |
1921 |
|
|
16 |
A' |
1117 |
1072 |
0.960 |
240 |
1922 |
|
|
17 |
A' |
1035 |
1012 |
0.977 |
240 |
1923 |
|
|
18 |
A' |
990 |
953 |
0.962 |
240 |
1924 |
|
|
19 |
A' |
809 |
770 |
0.951 |
240 |
1925 |
|
|
20 |
A' |
540 |
530 |
0.981 |
240 |
1926 |
|
|
21 |
A' |
431 |
396 |
0.920 |
240 |
1927 |
|
|
22 |
A' |
286 |
196 |
0.684 |
240 |
1928 |
|
|
23 |
A" |
3140 |
2949 |
0.939 |
240 |
1929 |
|
|
24 |
A" |
1534 |
1451 |
0.946 |
240 |
1930 |
|
|
25 |
A" |
1097 |
1034 |
0.943 |
240 |
1931 |
|
|
26 |
A" |
1020 |
991 |
0.972 |
240 |
1932 |
|
|
27 |
A" |
928 |
907 |
0.978 |
240 |
1933 |
|
|
28 |
A" |
915 |
907 |
0.992 |
240 |
1934 |
|
|
29 |
A" |
782 |
757 |
0.968 |
240 |
1935 |
|
|
30 |
A" |
644 |
615 |
0.954 |
240 |
1936 |
|
|
31 |
A" |
394 |
290 |
0.736 |
240 |
1937 |
|
|
32 |
A" |
211 |
153 |
0.724 |
240 |
1938 |
C5H8 |
Cyclopentene |
1 |
A' |
3240 |
3066 |
0.946 |
241 |
1939 |
|
|
2 |
A' |
3146 |
2958 |
0.940 |
241 |
1940 |
|
|
3 |
A' |
3114 |
2916 |
0.936 |
241 |
1941 |
|
|
4 |
A' |
3091 |
2902 |
0.939 |
241 |
1942 |
|
|
5 |
A' |
3060 |
2852 |
0.932 |
241 |
1943 |
|
|
6 |
A' |
1728 |
1616 |
0.935 |
241 |
1944 |
|
|
7 |
A' |
1568 |
1467 |
0.936 |
241 |
1945 |
|
|
8 |
A' |
1541 |
1449 |
0.940 |
241 |
1946 |
|
|
9 |
A' |
1382 |
1302 |
0.942 |
241 |
1947 |
|
|
10 |
A' |
1270 |
1284 |
1.011 |
241 |
1948 |
|
|
11 |
A' |
1162 |
1213 |
1.044 |
241 |
1949 |
|
|
12 |
A' |
1105 |
1048 |
0.948 |
241 |
1950 |
|
|
13 |
A' |
1007 |
964 |
0.958 |
241 |
1951 |
|
|
14 |
A' |
940 |
962 |
1.023 |
241 |
1952 |
|
|
15 |
A' |
855 |
904 |
1.057 |
241 |
1953 |
|
|
16 |
A' |
726 |
692 |
0.953 |
241 |
1954 |
|
|
17 |
A' |
615 |
603 |
0.980 |
241 |
1955 |
|
|
18 |
A' |
166 |
254 |
1.526 |
241 |
1956 |
|
|
19 |
A" |
3216 |
3039 |
0.945 |
241 |
1957 |
|
|
20 |
A" |
3111 |
2967 |
0.954 |
241 |
1958 |
|
|
21 |
A" |
3060 |
2927 |
0.956 |
241 |
1959 |
|
|
22 |
A" |
1550 |
1467 |
0.946 |
241 |
1960 |
|
|
23 |
A" |
1422 |
1432 |
1.007 |
241 |
1961 |
|
|
24 |
A" |
1372 |
1356 |
0.988 |
241 |
1962 |
|
|
25 |
A" |
1347 |
1302 |
0.967 |
241 |
1963 |
|
|
26 |
A" |
1263 |
1297 |
1.027 |
241 |
1964 |
|
|
27 |
A" |
1184 |
1207 |
1.019 |
241 |
1965 |
|
|
28 |
A" |
1079 |
1113 |
1.032 |
241 |
1966 |
|
|
29 |
A" |
964 |
1082 |
1.122 |
241 |
1967 |
|
|
30 |
A" |
948 |
937 |
0.989 |
241 |
1968 |
|
|
31 |
A" |
923 |
800 |
0.867 |
241 |
1969 |
|
|
32 |
A" |
790 |
702 |
0.889 |
241 |
1970 |
|
|
33 |
A" |
392 |
387 |
0.987 |
241 |
1971 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3265 |
3080 |
0.943 |
242 |
1972 |
|
|
2 |
A |
3187 |
3012 |
0.945 |
242 |
1973 |
|
|
3 |
A |
3174 |
3012 |
0.949 |
242 |
1974 |
|
|
4 |
A |
3057 |
2900 |
0.949 |
242 |
1975 |
|
|
5 |
A |
1759 |
1644 |
0.935 |
242 |
1976 |
|
|
6 |
A |
1535 |
1433 |
0.934 |
242 |
1977 |
|
|
7 |
A |
1490 |
1413 |
0.948 |
242 |
1978 |
|
|
8 |
A |
1350 |
1295 |
0.959 |
242 |
1979 |
|
|
9 |
A |
1296 |
1263 |
0.975 |
242 |
1980 |
|
|
10 |
A |
1115 |
1120 |
1.005 |
242 |
1981 |
|
|
11 |
A |
1030 |
995 |
0.966 |
242 |
1982 |
|
|
12 |
A |
942 |
918 |
0.974 |
242 |
1983 |
|
|
13 |
A |
937 |
876 |
0.935 |
242 |
1984 |
|
|
14 |
A |
685 |
562 |
0.820 |
242 |
1985 |
|
|
15 |
A |
379 |
421 |
1.110 |
242 |
1986 |
|
|
16 |
A |
303 |
137 |
0.452 |
242 |
1987 |
|
|
17 |
A |
87 |
102 |
1.170 |
242 |
1988 |
C5H8 |
1,3-Pentadiene, (E)- |
1 |
A' |
3271 |
3090 |
0.945 |
243 |
1989 |
|
|
2 |
A' |
3189 |
3015 |
0.946 |
243 |
1990 |
|
|
3 |
A' |
3177 |
3015 |
0.949 |
243 |
1991 |
|
|
4 |
A' |
3171 |
3015 |
0.951 |
243 |
1992 |
|
|
5 |
A' |
3167 |
3015 |
0.952 |
243 |
1993 |
|
|
6 |
A' |
3153 |
2940 |
0.933 |
243 |
1994 |
|
|
7 |
A' |
3066 |
2919 |
0.952 |
243 |
1995 |
|
|
8 |
A' |
1789 |
1661 |
0.929 |
243 |
1996 |
|
|
9 |
A' |
1718 |
1610 |
0.937 |
243 |
1997 |
|
|
10 |
A' |
1548 |
1433 |
0.926 |
243 |
1998 |
|
|
11 |
A' |
1493 |
1422 |
0.952 |
243 |
1999 |
|
|
12 |
A' |
1470 |
1385 |
0.942 |
243 |
2000 |
|
|
13 |
A' |
1371 |
1316 |
0.960 |
243 |
2001 |
|
|
14 |
A' |
1354 |
1299 |
0.959 |
243 |
2002 |
|
|
15 |
A' |
1334 |
1280 |
0.959 |
243 |
2003 |
|
|
16 |
A' |
1239 |
1166 |
0.941 |
243 |
2004 |
|
|
17 |
A' |
1131 |
1037 |
0.917 |
243 |
2005 |
|
|
18 |
A' |
1015 |
985 |
0.970 |
243 |
2006 |
|
|
19 |
A' |
934 |
862 |
0.923 |
243 |
2007 |
|
|
20 |
A' |
489 |
483 |
0.988 |
243 |
2008 |
|
|
21 |
A' |
460 |
418 |
0.908 |
243 |
2009 |
|
|
22 |
A' |
200 |
212 |
1.059 |
243 |
2010 |
|
|
23 |
A" |
3129 |
2971 |
0.949 |
243 |
2011 |
|
|
24 |
A" |
1532 |
1453 |
0.948 |
243 |
2012 |
|
|
25 |
A" |
1097 |
1017 |
0.927 |
243 |
2013 |
|
|
26 |
A" |
1037 |
1002 |
0.967 |
243 |
2014 |
|
|
27 |
A" |
985 |
912 |
0.926 |
243 |
2015 |
|
|
28 |
A" |
923 |
899 |
0.974 |
243 |
2016 |
|
|
29 |
A" |
832 |
820 |
0.985 |
243 |
2017 |
|
|
30 |
A" |
639 |
615 |
0.962 |
243 |
2018 |
|
|
33 |
A" |
125 |
129 |
1.035 |
243 |
2019 |
C5H8 |
Spiropentane |
1 |
A1 |
3169 |
3000 |
0.947 |
244 |
2020 |
|
|
2 |
A1 |
1550 |
1423 |
0.918 |
244 |
2021 |
|
|
3 |
A1 |
1138 |
1160 |
1.019 |
244 |
2022 |
|
|
4 |
A1 |
1093 |
1037 |
0.949 |
244 |
2023 |
|
|
5 |
A1 |
626 |
588 |
0.939 |
244 |
2024 |
|
|
6 |
A2 |
3243 |
3070 |
0.947 |
244 |
2025 |
|
|
7 |
A2 |
1207 |
1174 |
0.972 |
244 |
2026 |
|
|
8 |
A2 |
868 |
919 |
1.058 |
244 |
2027 |
|
|
9 |
B1 |
3243 |
3066 |
0.945 |
244 |
2028 |
|
|
10 |
B1 |
1219 |
1166 |
0.957 |
244 |
2029 |
|
|
11 |
B1 |
1056 |
888 |
0.841 |
244 |
2030 |
|
|
12 |
B1 |
303 |
300 |
0.990 |
244 |
2031 |
|
|
13 |
B2 |
3169 |
3000 |
0.947 |
244 |
2032 |
|
|
14 |
B2 |
1657 |
1521 |
0.918 |
244 |
2033 |
|
|
15 |
B2 |
1484 |
1415 |
0.953 |
244 |
2034 |
|
|
16 |
B2 |
1070 |
990 |
0.926 |
244 |
2035 |
|
|
17 |
B2 |
948 |
872 |
0.920 |
244 |
2036 |
|
|
18 |
E |
3255 |
3067 |
0.942 |
244 |
2037 |
|
|
19 |
E |
3164 |
2985 |
0.943 |
244 |
2038 |
|
|
20 |
E |
1513 |
1431 |
0.946 |
244 |
2039 |
|
|
21 |
E |
1231 |
1150 |
0.934 |
244 |
2040 |
|
|
22 |
E |
1118 |
1049 |
0.938 |
244 |
2041 |
|
|
23 |
E |
929 |
870 |
0.937 |
244 |
2042 |
|
|
24 |
E |
813 |
780 |
0.960 |
244 |
2043 |
|
|
25 |
E |
318 |
308 |
0.969 |
244 |
2044 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3117 |
2953 |
0.947 |
245 |
2045 |
|
|
2 |
A1 |
2994 |
2775 |
0.927 |
245 |
2046 |
|
|
3 |
A1 |
1557 |
1459 |
0.937 |
245 |
2047 |
|
|
4 |
A1 |
1532 |
1444 |
0.942 |
245 |
2048 |
|
|
5 |
A1 |
1250 |
1186 |
0.949 |
245 |
2049 |
|
|
6 |
A1 |
868 |
828 |
0.955 |
245 |
2050 |
|
|
7 |
A1 |
381 |
367 |
0.962 |
245 |
2051 |
|
|
8 |
A2 |
3157 |
2977 |
0.943 |
245 |
2052 |
|
|
9 |
A2 |
1544 |
1453 |
0.941 |
245 |
2053 |
|
|
10 |
A2 |
1091 |
1046 |
0.959 |
245 |
2054 |
|
|
11 |
A2 |
254 |
255 |
1.002 |
245 |
2055 |
|
|
12 |
E |
3162 |
2981 |
0.943 |
245 |
2056 |
|
|
13 |
E |
3113 |
2953 |
0.949 |
245 |
2057 |
|
|
14 |
E |
2984 |
2776 |
0.930 |
245 |
2058 |
|
|
15 |
E |
1563 |
1471 |
0.941 |
245 |
2059 |
|
|
16 |
E |
1536 |
1444 |
0.940 |
245 |
2060 |
|
|
17 |
E |
1491 |
1409 |
0.945 |
245 |
2061 |
|
|
18 |
E |
1354 |
1275 |
0.942 |
245 |
2062 |
|
|
19 |
E |
1151 |
1103 |
0.959 |
245 |
2063 |
|
|
20 |
E |
1096 |
1043 |
0.952 |
245 |
2064 |
|
|
21 |
E |
438 |
424 |
0.967 |
245 |
2065 |
|
|
22 |
E |
284 |
281 |
0.989 |
245 |
2066 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3162 |
2974 |
0.940 |
246 |
2067 |
|
|
2 |
A' |
3153 |
2953 |
0.937 |
246 |
2068 |
|
|
3 |
A' |
3106 |
2940 |
0.947 |
246 |
2069 |
|
|
4 |
A' |
3074 |
2876 |
0.936 |
246 |
2070 |
|
|
5 |
A' |
2945 |
2757 |
0.936 |
246 |
2071 |
|
|
6 |
A' |
1869 |
1752 |
0.937 |
246 |
2072 |
|
|
7 |
A' |
1562 |
1474 |
0.944 |
246 |
2073 |
|
|
8 |
A' |
1557 |
1449 |
0.931 |
246 |
2074 |
|
|
9 |
A' |
1476 |
1399 |
0.948 |
246 |
2075 |
|
|
10 |
A' |
1459 |
1381 |
0.946 |
246 |
2076 |
|
|
11 |
A' |
1363 |
1329 |
0.975 |
246 |
2077 |
|
|
12 |
A' |
1226 |
1182 |
0.964 |
246 |
2078 |
|
|
13 |
A' |
1218 |
1138 |
0.935 |
246 |
2079 |
|
|
14 |
A' |
964 |
922 |
0.957 |
246 |
2080 |
|
|
15 |
A' |
872 |
800 |
0.918 |
246 |
2081 |
|
|
16 |
A' |
557 |
632 |
1.134 |
246 |
2082 |
|
|
17 |
A' |
362 |
395 |
1.091 |
246 |
2083 |
|
|
18 |
A' |
340 |
272 |
0.800 |
246 |
2084 |
|
|
19 |
A' |
242 |
212 |
0.876 |
246 |
2085 |
|
|
20 |
A" |
3161 |
2990 |
0.946 |
246 |
2086 |
|
|
21 |
A" |
3148 |
2982 |
0.947 |
246 |
2087 |
|
|
22 |
A" |
3072 |
2885 |
0.939 |
246 |
2088 |
|
|
23 |
A" |
1545 |
1467 |
0.949 |
246 |
2089 |
|
|
24 |
A" |
1541 |
1452 |
0.942 |
246 |
2090 |
|
|
25 |
A" |
1455 |
1437 |
0.987 |
246 |
2091 |
|
|
26 |
A" |
1394 |
1290 |
0.925 |
246 |
2092 |
|
|
27 |
A" |
1179 |
1109 |
0.941 |
246 |
2093 |
|
|
28 |
A" |
1018 |
965 |
0.948 |
246 |
2094 |
|
|
29 |
A" |
978 |
942 |
0.963 |
246 |
2095 |
|
|
30 |
A" |
956 |
933 |
0.976 |
246 |
2096 |
|
|
31 |
A" |
336 |
351 |
1.043 |
246 |
2097 |
|
|
32 |
A" |
221 |
227 |
1.028 |
246 |
2098 |
|
|
33 |
A" |
60 |
75 |
1.253 |
246 |
2099 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
437 |
1442 |
3.302 |
247 |
2100 |
|
|
|
Ag |
872 |
1151 |
1.320 |
247 |
2101 |
|
|
|
Au |
1330 |
1257 |
0.945 |
247 |
2102 |
|
|
|
Bg |
1552 |
1300 |
0.837 |
247 |
2103 |
|
|
|
Bu |
3064 |
2870 |
0.937 |
247 |
2104 |
|
|
|
Bu |
3070 |
2853 |
0.929 |
247 |
2105 |
|
|
|
Bu |
3151 |
271 |
0.086 |
247 |
2106 |
C4H9N |
Pyrrolidine |
1 |
A' |
3529 |
3356 |
0.951 |
248 |
2107 |
|
|
2 |
A' |
3161 |
2975 |
0.941 |
248 |
2108 |
|
|
3 |
A' |
3126 |
2927 |
0.936 |
248 |
2109 |
|
|
4 |
A' |
3108 |
2889 |
0.929 |
248 |
2110 |
|
|
5 |
A' |
2994 |
2824 |
0.943 |
248 |
2111 |
|
|
6 |
A' |
1587 |
1484 |
0.935 |
248 |
2112 |
|
|
7 |
A' |
1563 |
1447 |
0.926 |
248 |
2113 |
|
|
8 |
A' |
1442 |
1292 |
0.896 |
248 |
2114 |
|
|
9 |
A' |
1365 |
1273 |
0.933 |
248 |
2115 |
|
|
10 |
A' |
1286 |
1228 |
0.955 |
248 |
2116 |
|
|
11 |
A' |
1268 |
1181 |
0.932 |
248 |
2117 |
|
|
12 |
A' |
1109 |
974 |
0.878 |
248 |
2118 |
|
|
13 |
A' |
1039 |
920 |
0.886 |
248 |
2119 |
|
|
14 |
A' |
979 |
901 |
0.921 |
248 |
2120 |
|
|
15 |
A' |
938 |
871 |
0.928 |
248 |
2121 |
|
|
16 |
A' |
924 |
832 |
0.900 |
248 |
2122 |
|
|
17 |
A' |
797 |
789 |
0.990 |
248 |
2123 |
|
|
18 |
A' |
598 |
579 |
0.968 |
248 |
2124 |
|
|
19 |
A' |
307 |
299 |
0.973 |
248 |
2125 |
|
|
20 |
A" |
3142 |
2967 |
0.944 |
248 |
2126 |
|
|
21 |
A" |
3122 |
2916 |
0.934 |
248 |
2127 |
|
|
22 |
A" |
3099 |
2879 |
0.929 |
248 |
2128 |
|
|
23 |
A" |
2990 |
2818 |
0.942 |
248 |
2129 |
|
|
24 |
A" |
1569 |
1459 |
0.930 |
248 |
2130 |
|
|
25 |
A" |
1542 |
1412 |
0.916 |
248 |
2131 |
|
|
26 |
A" |
1481 |
1341 |
0.905 |
248 |
2132 |
|
|
27 |
A" |
1369 |
1268 |
0.926 |
248 |
2133 |
|
|
28 |
A" |
1344 |
1211 |
0.901 |
248 |
2134 |
|
|
29 |
A" |
1284 |
1203 |
0.937 |
248 |
2135 |
|
|
30 |
A" |
1237 |
1171 |
0.947 |
248 |
2136 |
|
|
31 |
A" |
1172 |
1099 |
0.938 |
248 |
2137 |
|
|
32 |
A" |
1139 |
1023 |
0.898 |
248 |
2138 |
|
|
33 |
A" |
967 |
883 |
0.913 |
248 |
2139 |
|
|
34 |
A" |
897 |
848 |
0.945 |
248 |
2140 |
|
|
35 |
A" |
644 |
600 |
0.932 |
248 |
2141 |
|
|
36 |
A" |
66 |
65 |
0.981 |
248 |
2142 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3482 |
3345 |
0.961 |
249 |
2143 |
|
|
2 |
A' |
3179 |
2975 |
0.936 |
249 |
2144 |
|
|
3 |
A' |
3148 |
2950 |
0.937 |
249 |
2145 |
|
|
4 |
A' |
3116 |
2918 |
0.936 |
249 |
2146 |
|
|
5 |
A' |
3098 |
2905 |
0.938 |
249 |
2147 |
|
|
6 |
A' |
3026 |
2887 |
0.954 |
249 |
2148 |
|
|
7 |
A' |
1723 |
1614 |
0.937 |
249 |
2149 |
|
|
8 |
A' |
1562 |
1467 |
0.939 |
249 |
2150 |
|
|
9 |
A' |
1533 |
1443 |
0.941 |
249 |
2151 |
|
|
10 |
A' |
1439 |
1390 |
0.966 |
249 |
2152 |
|
|
11 |
A' |
1339 |
1291 |
0.964 |
249 |
2153 |
|
|
12 |
A' |
1275 |
1237 |
0.970 |
249 |
2154 |
|
|
13 |
A' |
1203 |
1137 |
0.945 |
249 |
2155 |
|
|
14 |
A' |
1127 |
1120 |
0.994 |
249 |
2156 |
|
|
15 |
A' |
1004 |
1050 |
1.046 |
249 |
2157 |
|
|
16 |
A' |
935 |
965 |
1.032 |
249 |
2158 |
|
|
17 |
A' |
915 |
788 |
0.861 |
249 |
2159 |
|
|
18 |
A' |
864 |
752 |
0.871 |
249 |
2160 |
|
|
19 |
A' |
692 |
606 |
0.876 |
249 |
2161 |
|
|
20 |
A' |
416 |
448 |
1.076 |
249 |
2162 |
|
|
21 |
A' |
187 |
174 |
0.929 |
249 |
2163 |
|
|
22 |
A" |
3571 |
3411 |
0.955 |
249 |
2164 |
|
|
23 |
A" |
3151 |
2970 |
0.942 |
249 |
2165 |
|
|
24 |
A" |
3093 |
2957 |
0.956 |
249 |
2166 |
|
|
25 |
A" |
1527 |
1452 |
0.951 |
249 |
2167 |
|
|
26 |
A" |
1396 |
1213 |
0.869 |
249 |
2168 |
|
|
27 |
A" |
1315 |
1185 |
0.901 |
249 |
2169 |
|
|
28 |
A" |
1296 |
1168 |
0.901 |
249 |
2170 |
|
|
29 |
A" |
1259 |
1036 |
0.823 |
249 |
2171 |
|
|
30 |
A" |
1199 |
|
|
249 |
2172 |
|
|
31 |
A" |
1062 |
925 |
0.871 |
249 |
2173 |
|
|
32 |
A" |
975 |
912 |
0.935 |
249 |
2174 |
|
|
33 |
A" |
953 |
883 |
0.926 |
249 |
2175 |
|
|
34 |
A" |
800 |
788 |
0.986 |
249 |
2176 |
|
|
35 |
A" |
397 |
354 |
0.891 |
249 |
2177 |
|
|
36 |
A" |
298 |
240 |
0.805 |
249 |
2178 |
C8H8 |
cubane |
10 |
T1u |
3161 |
2978 |
0.942 |
250 |
2179 |
|
|
11 |
T1u |
1309 |
1230 |
0.940 |
250 |
2180 |
|
|
12 |
T1u |
888 |
853 |
0.961 |
250 |
2181 |
|
|
13 |
T2g |
3154 |
2970 |
0.942 |
250 |
2182 |
|
|
14 |
T2g |
1252 |
1182 |
0.944 |
250 |
2183 |
|
|
15 |
T2g |
864 |
821 |
0.950 |
250 |
2184 |
|
|
16 |
T2g |
674 |
665 |
0.986 |
250 |
2185 |
|
|
17 |
T2u |
1114 |
1036 |
0.930 |
250 |
2186 |
|
|
18 |
T2u |
868 |
829 |
0.955 |
250 |
2187 |
C5H12 |
Pentane |
1 |
A1 |
3151 |
2973 |
0.944 |
251 |
2188 |
|
|
2 |
A1 |
3071 |
2892 |
0.942 |
251 |
2189 |
|
|
3 |
A1 |
3065 |
2866 |
0.935 |
251 |
2190 |
|
|
4 |
A1 |
3048 |
2866 |
0.940 |
251 |
2191 |
|
|
5 |
A1 |
1568 |
1480 |
0.944 |
251 |
2192 |
|
|
6 |
A1 |
1551 |
1463 |
0.943 |
251 |
2193 |
|
|
7 |
A1 |
1546 |
1450 |
0.938 |
251 |
2194 |
|
|
8 |
A1 |
1472 |
1379 |
0.937 |
251 |
2195 |
|
|
9 |
A1 |
1415 |
1346 |
0.951 |
251 |
2196 |
|
|
10 |
A1 |
1201 |
1144 |
0.953 |
251 |
2197 |
|
|
11 |
A1 |
1091 |
1036 |
0.949 |
251 |
2198 |
|
|
12 |
A1 |
903 |
867 |
0.960 |
251 |
2199 |
|
|
13 |
A1 |
409 |
401 |
0.980 |
251 |
2200 |
|
|
14 |
A1 |
184 |
179 |
0.974 |
251 |
2201 |
|
|
15 |
A2 |
3147 |
2967 |
0.943 |
251 |
2202 |
|
|
16 |
A2 |
3097 |
2908 |
0.939 |
251 |
2203 |
|
|
17 |
A2 |
1553 |
1462 |
0.941 |
251 |
2204 |
|
|
18 |
A2 |
1366 |
1346 |
0.985 |
251 |
2205 |
|
|
19 |
A2 |
1308 |
1269 |
0.970 |
251 |
2206 |
|
|
20 |
A2 |
1021 |
993 |
0.973 |
251 |
2207 |
|
|
21 |
A2 |
785 |
766 |
0.976 |
251 |
2208 |
|
|
22 |
A2 |
259 |
210 |
0.811 |
251 |
2209 |
|
|
23 |
A2 |
109 |
131 |
1.206 |
251 |
2210 |
|
|
24 |
B1 |
3148 |
2965 |
0.942 |
251 |
2211 |
|
|
25 |
B1 |
3112 |
2930 |
0.942 |
251 |
2212 |
|
|
26 |
B1 |
3080 |
2930 |
0.951 |
251 |
2213 |
|
|
27 |
B1 |
1552 |
1469 |
0.946 |
251 |
2214 |
|
|
28 |
B1 |
1363 |
1303 |
0.956 |
251 |
2215 |
|
|
29 |
B1 |
1255 |
1170 |
0.932 |
251 |
2216 |
|
|
30 |
B1 |
893 |
858 |
0.961 |
251 |
2217 |
|
|
31 |
B1 |
745 |
727 |
0.976 |
251 |
2218 |
|
|
32 |
B1 |
250 |
215 |
0.860 |
251 |
2219 |
|
|
33 |
B1 |
116 |
88 |
0.757 |
251 |
2220 |
|
|
34 |
B2 |
3151 |
2965 |
0.941 |
251 |
2221 |
|
|
35 |
B2 |
3070 |
2879 |
0.938 |
251 |
2222 |
|
|
36 |
B2 |
3059 |
2866 |
0.937 |
251 |
2223 |
|
|
37 |
B2 |
1560 |
1476 |
0.946 |
251 |
2224 |
|
|
38 |
B2 |
1545 |
1456 |
0.942 |
251 |
2225 |
|
|
39 |
B2 |
1470 |
1389 |
0.945 |
251 |
2226 |
|
|
40 |
B2 |
1464 |
1379 |
0.942 |
251 |
2227 |
|
|
41 |
B2 |
1327 |
1269 |
0.956 |
251 |
2228 |
|
|
42 |
B2 |
1120 |
1073 |
0.958 |
251 |
2229 |
|
|
43 |
B2 |
1077 |
1024 |
0.951 |
251 |
2230 |
|
|
44 |
B2 |
961 |
910 |
0.947 |
251 |
2231 |
|
|
45 |
B2 |
407 |
406 |
0.996 |
251 |
2232 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3070 |
2909 |
0.948 |
252 |
2233 |
|
|
2 |
A1 |
1491 |
1381 |
0.926 |
252 |
2234 |
|
|
3 |
A1 |
757 |
733 |
0.968 |
252 |
2235 |
|
|
4 |
A2 |
217 |
198 |
0.911 |
252 |
2236 |
|
|
5 |
E |
3140 |
2955 |
0.941 |
252 |
2237 |
|
|
6 |
E |
1544 |
1451 |
0.940 |
252 |
2238 |
|
|
7 |
E |
1120 |
999 |
0.892 |
252 |
2239 |
|
|
8 |
E |
342 |
335 |
0.981 |
252 |
2240 |
|
|
9 |
T1 |
3139 |
2975 |
0.948 |
252 |
2241 |
|
|
10 |
T1 |
1536 |
1461 |
0.951 |
252 |
2242 |
|
|
11 |
T1 |
987 |
932 |
0.944 |
252 |
2243 |
|
|
12 |
T1 |
290 |
203 |
0.699 |
252 |
2244 |
|
|
13 |
T2 |
3146 |
2959 |
0.940 |
252 |
2245 |
|
|
14 |
T2 |
3061 |
2876 |
0.940 |
252 |
2246 |
|
|
15 |
T2 |
1569 |
1475 |
0.940 |
252 |
2247 |
|
|
16 |
T2 |
1456 |
1372 |
0.942 |
252 |
2248 |
|
|
17 |
T2 |
1336 |
1256 |
0.940 |
252 |
2249 |
|
|
18 |
T2 |
970 |
925 |
0.953 |
252 |
2250 |
|
|
19 |
T2 |
429 |
418 |
0.974 |
252 |
2251 |
C6H12 |
Cyclohexane |
1 |
A1g |
3106 |
2930 |
0.943 |
253 |
2252 |
|
|
2 |
A1g |
3057 |
2852 |
0.933 |
253 |
2253 |
|
|
3 |
A1g |
1568 |
1465 |
0.934 |
253 |
2254 |
|
|
4 |
A1g |
1226 |
1157 |
0.944 |
253 |
2255 |
|
|
5 |
A1g |
835 |
802 |
0.961 |
253 |
2256 |
|
|
6 |
A1g |
391 |
383 |
0.980 |
253 |
2257 |
|
|
7 |
A1u |
1428 |
1383 |
0.969 |
253 |
2258 |
|
|
8 |
A1u |
1171 |
1157 |
0.988 |
253 |
2259 |
|
|
9 |
A1u |
1145 |
1057 |
0.923 |
253 |
2260 |
|
|
10 |
A2g |
1385 |
1437 |
1.038 |
253 |
2261 |
|
|
11 |
A2g |
1099 |
1090 |
0.992 |
253 |
2262 |
|
|
12 |
A2u |
3116 |
2915 |
0.935 |
253 |
2263 |
|
|
13 |
A2u |
3058 |
2860 |
0.935 |
253 |
2264 |
|
|
14 |
A2u |
1553 |
1437 |
0.925 |
253 |
2265 |
|
|
15 |
A2u |
1072 |
1030 |
0.961 |
253 |
2266 |
|
|
16 |
A2u |
536 |
523 |
0.976 |
253 |
2267 |
|
|
17 |
Eg |
3108 |
2930 |
0.943 |
253 |
2268 |
|
|
18 |
Eg |
3056 |
2897 |
0.948 |
253 |
2269 |
|
|
19 |
Eg |
1541 |
1443 |
0.937 |
253 |
2270 |
|
|
20 |
Eg |
1435 |
1347 |
0.938 |
253 |
2271 |
|
|
21 |
Eg |
1330 |
1266 |
0.952 |
253 |
2272 |
|
|
22 |
Eg |
1074 |
1027 |
0.957 |
253 |
2273 |
|
|
23 |
Eg |
818 |
785 |
0.960 |
253 |
2274 |
|
|
24 |
Eg |
437 |
426 |
0.974 |
253 |
2275 |
|
|
25 |
Eu |
3103 |
2933 |
0.945 |
253 |
2276 |
|
|
26 |
Eu |
3053 |
2863 |
0.938 |
253 |
2277 |
|
|
27 |
Eu |
1548 |
1457 |
0.941 |
253 |
2278 |
|
|
28 |
Eu |
1428 |
1355 |
0.949 |
253 |
2279 |
|
|
29 |
Eu |
1322 |
1261 |
0.954 |
253 |
2280 |
|
|
30 |
Eu |
944 |
907 |
0.960 |
253 |
2281 |
|
|
31 |
Eu |
899 |
863 |
0.960 |
253 |
2282 |
|
|
32 |
Eu |
240 |
248 |
1.032 |
253 |
2283 |