H2 |
Hydrogen diatomic |
1 |
Σg |
4999 |
4161 |
0.832 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1694 |
1360 |
0.803 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
372 |
346 |
0.931 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1964 |
1133 |
0.577 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
467 |
158 |
0.337 |
5 |
5 |
BH |
Boron monohydride |
1 |
Σ |
2513 |
2269 |
0.903 |
6 |
6 |
CH |
Methylidyne |
1 |
Σ |
2833 |
2733 |
0.965 |
7 |
7 |
|
|
1 |
Σ |
3283 |
|
|
7 |
8 |
C2 |
Carbon diatomic |
1 |
Σg |
1996 |
1827 |
0.916 |
8 |
9 |
SiH |
Silylidyne |
1 |
Σ |
2348 |
1971 |
0.840 |
9 |
10 |
NH |
Imidogen |
1 |
Σ |
3146 |
3126 |
0.994 |
10 |
11 |
CN |
Cyano radical |
1 |
Σ |
2081 |
2042 |
0.982 |
11 |
12 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2125 |
2330 |
1.096 |
12 |
13 |
|
|
1 |
Σg |
1392 |
1733 |
1.245 |
12 |
14 |
PN |
Phosphorus mononitride |
1 |
Σ |
1364 |
1323 |
0.970 |
13 |
15 |
P2 |
Phosphorus diatomic |
1 |
Σg |
908 |
775 |
0.853 |
14 |
16 |
OH |
Hydroxyl radical |
1 |
Σ |
3460 |
3570 |
1.032 |
15 |
17 |
BeO |
beryllium oxide |
1 |
Σ |
1590 |
1435 |
0.902 |
16 |
18 |
BO |
boron monoxide |
1 |
Σ |
1931 |
1862 |
0.964 |
17 |
19 |
CO |
Carbon monoxide |
1 |
Σ |
2017 |
2143 |
1.062 |
18 |
20 |
|
|
1 |
Σ |
1729 |
|
|
18 |
21 |
MgO |
magnesium oxide |
1 |
Σ |
1039 |
775 |
0.746 |
19 |
22 |
SiO |
Silicon monoxide |
1 |
Σ |
1233 |
1230 |
0.997 |
20 |
23 |
HS |
Mercapto radical |
1 |
Σ |
2873 |
2599 |
0.905 |
21 |
24 |
BS |
boron sulfide |
1 |
Σ |
1346 |
1167 |
0.867 |
22 |
25 |
SO |
Sulfur monoxide |
1 |
Σ |
1113 |
1138 |
1.023 |
23 |
26 |
|
|
1 |
Σ |
1103 |
1054 |
0.956 |
23 |
27 |
AlS |
Aluminum sulfide |
1 |
Σ |
761 |
610 |
0.802 |
24 |
28 |
SiS |
silicon monosulfide |
1 |
Σ |
853 |
744 |
0.873 |
25 |
29 |
S2 |
Sulfur diatomic |
1 |
Σg |
779 |
720 |
0.925 |
26 |
30 |
HF |
Hydrogen fluoride |
1 |
Σ |
3738 |
3961 |
1.060 |
27 |
31 |
LiF |
lithium fluoride |
1 |
Σ |
1102 |
896 |
0.813 |
28 |
32 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1404 |
|
|
29 |
33 |
CF |
Fluoromethylidyne |
1 |
Σ |
1365 |
1286 |
0.942 |
30 |
34 |
NF |
nitrogen fluoride |
1 |
Σ |
1342 |
1123 |
0.837 |
31 |
35 |
F2 |
Fluorine diatomic |
1 |
Σg |
1334 |
894 |
0.670 |
32 |
36 |
NaF |
sodium fluoride |
1 |
Σ |
843 |
529 |
0.627 |
33 |
37 |
AlF |
Aluminum monofluoride |
1 |
Σ |
906 |
793 |
0.875 |
34 |
38 |
SiF |
silicon monofluoride |
1 |
Σ |
904 |
848 |
0.937 |
35 |
39 |
SF |
Monosulfur monofluoride |
1 |
Σ |
931 |
829 |
0.890 |
36 |
40 |
HCl |
Hydrogen chloride |
1 |
Σ |
2996 |
2886 |
0.963 |
37 |
41 |
LiCl |
lithium chloride |
1 |
Σ |
786 |
634 |
0.807 |
38 |
42 |
BeCl |
beryllium monochloride |
1 |
Σ |
929 |
847 |
0.911 |
39 |
43 |
ClO |
Monochlorine monoxide |
1 |
Σ |
869 |
843 |
0.970 |
40 |
44 |
ClF |
Chlorine monofluoride |
1 |
Σ |
842 |
773 |
0.919 |
41 |
45 |
NaCl |
Sodium Chloride |
1 |
Σ |
520 |
361 |
0.694 |
42 |
46 |
AlCl |
Aluminum monochloride |
1 |
Σ |
528 |
478 |
0.904 |
43 |
47 |
SCl |
sulfur monochloride |
1 |
Σ |
608 |
577 |
0.948 |
44 |
48 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
582 |
554 |
0.952 |
45 |
49 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2556 |
2159 |
0.845 |
46 |
50 |
|
|
3 |
Πu |
748 |
698 |
0.933 |
46 |
51 |
MgH2 |
magnesium dihydride |
2 |
Σu |
2296 |
1572 |
0.685 |
47 |
52 |
|
|
3 |
Πu |
550 |
440 |
0.800 |
47 |
53 |
BH2 |
boron dihydride |
2 |
A1 |
1184 |
954 |
0.805 |
48 |
54 |
SiH2 |
silicon dihydride |
1 |
A1 |
2396 |
1996 |
0.833 |
49 |
55 |
|
|
2 |
A1 |
1285 |
999 |
0.777 |
49 |
56 |
|
|
3 |
B2 |
2426 |
1993 |
0.821 |
49 |
57 |
NH2 |
Amino radical |
1 |
A1 |
3188 |
3219 |
1.010 |
50 |
58 |
|
|
2 |
A1 |
1793 |
1497 |
0.835 |
50 |
59 |
|
|
3 |
B2 |
3364 |
3301 |
0.981 |
50 |
60 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3527 |
3312 |
0.939 |
51 |
61 |
|
|
2 |
Σ |
2119 |
2089 |
0.986 |
51 |
62 |
|
|
3 |
Π |
760 |
712 |
0.937 |
51 |
63 |
H2O |
Water |
1 |
A1 |
3495 |
3657 |
1.046 |
52 |
64 |
|
|
2 |
A1 |
1984 |
1595 |
0.804 |
52 |
65 |
|
|
3 |
B2 |
3711 |
3756 |
1.012 |
52 |
66 |
HCO |
Formyl radical |
1 |
A' |
2845 |
2434 |
0.856 |
53 |
67 |
|
|
2 |
A' |
1821 |
1868 |
1.026 |
53 |
68 |
|
|
3 |
A' |
1124 |
1081 |
0.962 |
53 |
69 |
HNO |
Nitrosyl hydride |
1 |
A' |
2696 |
2684 |
0.995 |
54 |
70 |
|
|
2 |
A' |
1551 |
1565 |
1.009 |
54 |
71 |
|
|
3 |
A' |
1512 |
1501 |
0.993 |
54 |
72 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3118 |
3436 |
1.102 |
55 |
73 |
|
|
2 |
A' |
1451 |
1392 |
0.959 |
55 |
74 |
|
|
3 |
A' |
1235 |
1098 |
0.889 |
55 |
75 |
CO2 |
Carbon dioxide |
1 |
Σg |
1232 |
1333 |
1.082 |
56 |
76 |
|
|
2 |
Σu |
2349 |
2349 |
1.000 |
56 |
77 |
|
|
3 |
Πu |
476 |
667 |
1.401 |
56 |
78 |
N2O |
Nitrous oxide |
1 |
Σ |
2158 |
2224 |
1.031 |
57 |
79 |
|
|
2 |
Σ |
1189 |
1285 |
1.081 |
57 |
80 |
|
|
3 |
Π |
425 |
589 |
1.385 |
57 |
81 |
SiO2 |
silicon dioxide |
2 |
Σu |
1304 |
1416 |
1.086 |
58 |
82 |
|
|
3 |
Πu |
129 |
273 |
2.109 |
58 |
83 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2885 |
2615 |
0.906 |
59 |
84 |
|
|
2 |
A1 |
1425 |
1183 |
0.830 |
59 |
85 |
|
|
3 |
B2 |
2937 |
2626 |
0.894 |
59 |
86 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2145 |
2062 |
0.961 |
60 |
87 |
|
|
2 |
Σ |
899 |
859 |
0.955 |
60 |
88 |
|
|
3 |
Π |
433 |
520 |
1.200 |
60 |
89 |
SO2 |
Sulfur dioxide |
1 |
A1 |
958 |
1151 |
1.202 |
61 |
90 |
|
|
2 |
A1 |
392 |
518 |
1.322 |
61 |
91 |
|
|
3 |
B2 |
995 |
1362 |
1.369 |
61 |
92 |
CS2 |
Carbon disulfide |
1 |
Σg |
697 |
658 |
0.944 |
62 |
93 |
|
|
2 |
Σu |
1777 |
1535 |
0.864 |
62 |
94 |
|
|
3 |
Πu |
376 |
397 |
1.056 |
62 |
95 |
SSO |
Disulfur monoxide |
1 |
A' |
983 |
1166 |
1.187 |
63 |
96 |
|
|
2 |
A' |
648 |
679 |
1.048 |
63 |
97 |
|
|
3 |
A' |
320 |
380 |
1.189 |
63 |
98 |
HOF |
Hypofluorous acid |
1 |
A' |
3385 |
3578 |
1.057 |
64 |
99 |
|
|
2 |
A' |
1405 |
1362 |
0.970 |
64 |
100 |
|
|
3 |
A' |
1240 |
893 |
0.720 |
64 |
101 |
CF2 |
Difluoromethylene |
1 |
A1 |
1248 |
1225 |
0.981 |
65 |
102 |
|
|
2 |
A1 |
591 |
667 |
1.129 |
65 |
103 |
|
|
3 |
B2 |
1197 |
1114 |
0.931 |
65 |
104 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1577 |
1844 |
1.169 |
66 |
105 |
|
|
2 |
A' |
1074 |
766 |
0.713 |
66 |
106 |
|
|
3 |
A' |
591 |
520 |
0.880 |
66 |
107 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1221 |
1075 |
0.881 |
67 |
108 |
|
|
2 |
A1 |
508 |
573 |
1.128 |
67 |
109 |
|
|
3 |
B2 |
1167 |
942 |
0.807 |
67 |
110 |
F2O |
Difluorine monoxide |
1 |
A1 |
1214 |
928 |
0.764 |
68 |
111 |
|
|
2 |
A1 |
461 |
461 |
1.000 |
68 |
112 |
|
|
3 |
B2 |
1143 |
831 |
0.727 |
68 |
113 |
HOCl |
hypochlorous acid |
1 |
A' |
3530 |
3609 |
1.022 |
69 |
114 |
|
|
2 |
A' |
1301 |
1239 |
0.952 |
69 |
115 |
|
|
3 |
A' |
811 |
724 |
0.893 |
69 |
116 |
ClCN |
chlorocyanogen |
1 |
Σ |
2240 |
2216 |
0.989 |
70 |
117 |
|
|
2 |
Σ |
696 |
744 |
1.068 |
70 |
118 |
|
|
3 |
Π |
356 |
378 |
1.062 |
70 |
119 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1691 |
1800 |
1.064 |
71 |
120 |
|
|
2 |
A' |
678 |
596 |
0.879 |
71 |
121 |
|
|
3 |
A' |
393 |
332 |
0.844 |
71 |
122 |
OClO |
Chlorine dioxide |
1 |
A1 |
705 |
946 |
1.341 |
72 |
123 |
|
|
2 |
A1 |
240 |
448 |
1.865 |
72 |
124 |
|
|
3 |
B2 |
543 |
1110 |
2.043 |
72 |
125 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
736 |
639 |
0.868 |
73 |
126 |
|
|
2 |
A1 |
267 |
296 |
1.109 |
73 |
127 |
|
|
3 |
B2 |
765 |
686 |
0.897 |
73 |
128 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
565 |
522 |
0.923 |
74 |
129 |
|
|
2 |
A1 |
201 |
201 |
0.998 |
74 |
130 |
|
|
3 |
B2 |
560 |
509 |
0.909 |
74 |
131 |
BH3 |
boron trihydride |
2 |
A2" |
1212 |
1148 |
0.947 |
75 |
132 |
|
|
3 |
E' |
3075 |
2602 |
0.846 |
75 |
133 |
|
|
4 |
E' |
1331 |
1197 |
0.899 |
75 |
134 |
C2H2 |
Acetylene |
1 |
Σg |
3677 |
3374 |
0.918 |
76 |
135 |
|
|
2 |
Σg |
2170 |
1974 |
0.910 |
76 |
136 |
|
|
3 |
Σu |
3536 |
3289 |
0.930 |
76 |
137 |
|
|
4 |
Πg |
659 |
612 |
0.929 |
76 |
138 |
|
|
5 |
Πu |
800 |
730 |
0.913 |
76 |
139 |
NH3 |
Ammonia |
1 |
A1 |
3284 |
3337 |
1.016 |
77 |
140 |
|
|
2 |
A1 |
1396 |
950 |
0.681 |
77 |
141 |
|
|
3 |
E |
3547 |
3444 |
0.971 |
77 |
142 |
|
|
4 |
E |
1904 |
1627 |
0.855 |
77 |
143 |
C2N2 |
Cyanogen |
1 |
Σg |
2269 |
2330 |
1.027 |
78 |
144 |
|
|
2 |
Σg |
844 |
846 |
1.002 |
78 |
145 |
|
|
3 |
Σu |
2122 |
2158 |
1.017 |
78 |
146 |
|
|
4 |
Πg |
552 |
503 |
0.912 |
78 |
147 |
|
|
5 |
Πu |
225 |
234 |
1.040 |
78 |
148 |
PH3 |
Phosphine |
1 |
A1 |
2676 |
2323 |
0.868 |
79 |
149 |
|
|
2 |
A1 |
1293 |
992 |
0.767 |
79 |
150 |
|
|
3 |
E |
2737 |
2328 |
0.851 |
79 |
151 |
|
|
4 |
E |
1361 |
1118 |
0.821 |
79 |
152 |
P4 |
Phosphorus tetramer |
1 |
A1 |
744 |
601 |
0.807 |
80 |
153 |
|
|
2 |
E |
439 |
361 |
0.821 |
80 |
154 |
|
|
3 |
T2 |
566 |
467 |
0.825 |
80 |
155 |
H2CO |
Formaldehyde |
1 |
A1 |
3034 |
2782 |
0.917 |
81 |
156 |
|
|
2 |
A1 |
1818 |
1746 |
0.960 |
81 |
157 |
|
|
3 |
A1 |
1584 |
1500 |
0.947 |
81 |
158 |
|
|
4 |
B1 |
1097 |
1167 |
1.064 |
81 |
159 |
|
|
5 |
B2 |
3131 |
2843 |
0.908 |
81 |
160 |
|
|
6 |
B2 |
1241 |
1249 |
1.006 |
81 |
161 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3425 |
3599 |
1.051 |
82 |
162 |
|
|
2 |
A |
1455 |
1402 |
0.964 |
82 |
163 |
|
|
3 |
A |
1148 |
877 |
0.764 |
82 |
164 |
|
|
4 |
A |
205 |
371 |
1.807 |
82 |
165 |
|
|
5 |
B |
3434 |
3608 |
1.051 |
82 |
166 |
|
|
6 |
B |
1352 |
1266 |
0.936 |
82 |
167 |
HNCO |
Isocyanic acid |
1 |
A' |
3509 |
3538 |
1.008 |
83 |
168 |
|
|
2 |
A' |
2274 |
2269 |
0.998 |
83 |
169 |
|
|
3 |
A' |
1215 |
1327 |
1.092 |
83 |
170 |
|
|
4 |
A' |
935 |
777 |
0.831 |
83 |
171 |
|
|
5 |
A' |
480 |
577 |
1.204 |
83 |
172 |
|
|
6 |
A" |
509 |
656 |
1.290 |
83 |
173 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2132 |
2060 |
0.966 |
84 |
174 |
|
|
2 |
Σg |
657 |
585 |
0.891 |
84 |
175 |
|
|
3 |
Σu |
1963 |
1898 |
0.967 |
84 |
176 |
|
|
4 |
Πg |
526 |
410 |
0.780 |
84 |
177 |
|
|
5 |
Πu |
209 |
213 |
1.020 |
84 |
178 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3176 |
2971 |
0.935 |
85 |
179 |
|
|
2 |
A1 |
1650 |
1456 |
0.882 |
85 |
180 |
|
|
3 |
A1 |
1185 |
1059 |
0.894 |
85 |
181 |
|
|
4 |
B1 |
990 |
990 |
1.000 |
85 |
182 |
|
|
5 |
B2 |
3298 |
3025 |
0.917 |
85 |
183 |
|
|
6 |
B2 |
1082 |
991 |
0.916 |
85 |
184 |
H2S2 |
Disulfane |
1 |
A |
2815 |
2556 |
0.908 |
86 |
185 |
|
|
2 |
A |
971 |
882 |
0.908 |
86 |
186 |
|
|
3 |
A |
591 |
515 |
0.870 |
86 |
187 |
|
|
4 |
A |
355 |
417 |
1.176 |
86 |
188 |
|
|
5 |
B |
2819 |
2559 |
0.908 |
86 |
189 |
|
|
6 |
B |
982 |
878 |
0.894 |
86 |
190 |
SO3 |
Sulfur trioxide |
1 |
A1' |
773 |
1065 |
1.379 |
87 |
191 |
|
|
2 |
A2" |
169 |
498 |
2.942 |
87 |
192 |
|
|
3 |
E' |
979 |
1391 |
1.421 |
87 |
193 |
|
|
4 |
E' |
273 |
530 |
1.944 |
87 |
194 |
BHF2 |
Difluoroborane |
1 |
A1 |
2911 |
2621 |
0.900 |
88 |
195 |
|
|
2 |
A1 |
1209 |
1164 |
0.963 |
88 |
196 |
|
|
3 |
A1 |
542 |
542 |
1.000 |
88 |
197 |
|
|
4 |
B1 |
894 |
924 |
1.033 |
88 |
198 |
|
|
5 |
B2 |
1577 |
1402 |
0.889 |
88 |
199 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1869 |
1928 |
1.032 |
89 |
200 |
|
|
2 |
A1 |
936 |
965 |
1.031 |
89 |
201 |
|
|
3 |
A1 |
483 |
584 |
1.209 |
89 |
202 |
|
|
4 |
B1 |
603 |
774 |
1.284 |
89 |
203 |
|
|
5 |
B2 |
1298 |
1249 |
0.962 |
89 |
204 |
|
|
6 |
B2 |
517 |
626 |
1.211 |
89 |
205 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
890 |
888 |
0.998 |
90 |
206 |
|
|
2 |
A2" |
604 |
691 |
1.145 |
90 |
207 |
|
|
3 |
E' |
1529 |
1449 |
0.948 |
90 |
208 |
|
|
4 |
E' |
462 |
480 |
1.038 |
90 |
209 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1253 |
1523 |
1.215 |
91 |
210 |
|
|
2 |
Ag |
1160 |
1018 |
0.877 |
91 |
211 |
|
|
3 |
Ag |
559 |
603 |
1.079 |
91 |
212 |
|
|
4 |
Au |
299 |
364 |
1.218 |
91 |
213 |
|
|
5 |
Bu |
1229 |
991 |
0.806 |
91 |
214 |
|
|
6 |
Bu |
330 |
423 |
1.283 |
91 |
215 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1012 |
1089 |
1.076 |
92 |
216 |
|
|
2 |
A1 |
596 |
701 |
1.177 |
92 |
217 |
|
|
3 |
E |
1270 |
1260 |
0.992 |
92 |
218 |
|
|
4 |
E |
431 |
509 |
1.181 |
92 |
219 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1110 |
1032 |
0.930 |
93 |
220 |
|
|
2 |
A1 |
564 |
647 |
1.147 |
93 |
221 |
|
|
3 |
E |
1054 |
907 |
0.861 |
93 |
222 |
|
|
4 |
E |
403 |
492 |
1.221 |
93 |
223 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
699 |
690 |
0.987 |
94 |
224 |
|
|
2 |
A2" |
209 |
297 |
1.422 |
94 |
225 |
|
|
3 |
E' |
1023 |
935 |
0.914 |
94 |
226 |
|
|
4 |
E' |
214 |
263 |
1.227 |
94 |
227 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
845 |
892 |
1.056 |
95 |
228 |
|
|
2 |
A1 |
393 |
487 |
1.239 |
95 |
229 |
|
|
3 |
E |
813 |
860 |
1.058 |
95 |
230 |
|
|
4 |
E |
292 |
344 |
1.180 |
95 |
231 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
3012 |
2617 |
0.869 |
96 |
232 |
|
|
2 |
A1 |
773 |
740 |
0.958 |
96 |
233 |
|
|
4 |
B1 |
779 |
784 |
1.006 |
96 |
234 |
|
|
5 |
B2 |
1195 |
1089 |
0.911 |
96 |
235 |
|
|
6 |
B2 |
992 |
892 |
0.899 |
96 |
236 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1263 |
1267 |
1.003 |
97 |
237 |
|
|
2 |
A1 |
676 |
793 |
1.173 |
97 |
238 |
|
|
3 |
A1 |
376 |
364 |
0.968 |
97 |
239 |
|
|
4 |
B1 |
494 |
652 |
1.319 |
97 |
240 |
|
|
5 |
B2 |
1691 |
1684 |
0.996 |
97 |
241 |
|
|
6 |
B2 |
333 |
408 |
1.226 |
97 |
242 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
570 |
752 |
1.319 |
98 |
243 |
|
|
2 |
A1 |
464 |
529 |
1.140 |
98 |
244 |
|
|
3 |
A1 |
210 |
328 |
1.559 |
98 |
245 |
|
|
4 |
B1 |
215 |
328 |
1.529 |
98 |
246 |
|
|
5 |
B2 |
729 |
702 |
0.963 |
98 |
247 |
|
|
6 |
B2 |
275 |
442 |
1.609 |
98 |
248 |
CCl2O |
Phosgene |
1 |
A1 |
1887 |
1827 |
0.968 |
99 |
249 |
|
|
2 |
A1 |
569 |
567 |
0.997 |
99 |
250 |
|
|
3 |
A1 |
269 |
285 |
1.060 |
99 |
251 |
|
|
4 |
B1 |
499 |
580 |
1.161 |
99 |
252 |
|
|
5 |
B2 |
861 |
849 |
0.986 |
99 |
253 |
|
|
6 |
B2 |
402 |
440 |
1.094 |
99 |
254 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
888 |
820 |
0.923 |
100 |
255 |
|
|
2 |
A1 |
522 |
500 |
0.959 |
100 |
256 |
|
|
3 |
A1 |
212 |
250 |
1.181 |
100 |
257 |
|
|
4 |
B1 |
208 |
260 |
1.248 |
100 |
258 |
|
|
5 |
B2 |
1050 |
900 |
0.857 |
100 |
259 |
|
|
6 |
B2 |
188 |
200 |
1.064 |
100 |
260 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
489 |
471 |
0.964 |
101 |
261 |
|
|
2 |
A2" |
439 |
460 |
1.049 |
101 |
262 |
|
|
3 |
E' |
1057 |
956 |
0.904 |
101 |
263 |
|
|
4 |
E' |
257 |
243 |
0.944 |
101 |
264 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
996 |
850 |
0.854 |
102 |
265 |
|
|
2 |
A1 |
465 |
450 |
0.968 |
102 |
266 |
|
|
3 |
A1 |
157 |
150 |
0.953 |
102 |
267 |
|
|
4 |
B1 |
206 |
220 |
1.068 |
102 |
268 |
|
|
5 |
B2 |
692 |
610 |
0.882 |
102 |
269 |
|
|
6 |
B2 |
201 |
200 |
0.995 |
102 |
270 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
416 |
375 |
0.901 |
103 |
271 |
|
|
2 |
A2" |
193 |
183 |
0.948 |
103 |
272 |
|
|
3 |
E' |
706 |
595 |
0.842 |
103 |
273 |
|
|
4 |
E' |
153 |
150 |
0.978 |
103 |
274 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
539 |
504 |
0.935 |
104 |
275 |
|
|
2 |
A1 |
233 |
252 |
1.080 |
104 |
276 |
|
|
3 |
E |
536 |
482 |
0.899 |
104 |
277 |
|
|
4 |
E |
167 |
198 |
1.183 |
104 |
278 |
CH4 |
Methane |
1 |
A1 |
3225 |
2917 |
0.904 |
105 |
279 |
|
|
2 |
E |
1725 |
1534 |
0.889 |
105 |
280 |
|
|
3 |
T2 |
3463 |
3019 |
0.872 |
105 |
281 |
|
|
4 |
T2 |
1494 |
1306 |
0.874 |
105 |
282 |
SiH4 |
Silane |
1 |
A1 |
2586 |
2187 |
0.846 |
106 |
283 |
|
|
2 |
E |
1123 |
975 |
0.868 |
106 |
284 |
|
|
3 |
T2 |
2662 |
2191 |
0.823 |
106 |
285 |
|
|
4 |
T2 |
1015 |
914 |
0.900 |
106 |
286 |
CH2NH |
Methanimine |
1 |
A' |
3386 |
3263 |
0.964 |
107 |
287 |
|
|
2 |
A' |
3325 |
3024 |
0.909 |
107 |
288 |
|
|
3 |
A' |
3211 |
2914 |
0.907 |
107 |
289 |
|
|
4 |
A' |
1706 |
1638 |
0.960 |
107 |
290 |
|
|
5 |
A' |
1519 |
1452 |
0.956 |
107 |
291 |
|
|
6 |
A' |
1442 |
1344 |
0.932 |
107 |
292 |
|
|
7 |
A' |
1080 |
1058 |
0.980 |
107 |
293 |
|
|
8 |
A" |
1199 |
1127 |
0.940 |
107 |
294 |
|
|
9 |
A" |
1024 |
1061 |
1.036 |
107 |
295 |
CH2CO |
Ketene |
1 |
A1 |
3343 |
3070 |
0.919 |
108 |
296 |
|
|
2 |
A1 |
2256 |
2152 |
0.954 |
108 |
297 |
|
|
3 |
A1 |
1486 |
1388 |
0.934 |
108 |
298 |
|
|
4 |
A1 |
1158 |
1118 |
0.965 |
108 |
299 |
|
|
5 |
B1 |
628 |
588 |
0.936 |
108 |
300 |
|
|
6 |
B1 |
432 |
528 |
1.221 |
108 |
301 |
|
|
7 |
B2 |
3486 |
3166 |
0.908 |
108 |
302 |
|
|
8 |
B2 |
1018 |
977 |
0.959 |
108 |
303 |
|
|
9 |
B2 |
392 |
433 |
1.106 |
108 |
304 |
HCOOH |
Formic acid |
1 |
A' |
3540 |
3570 |
1.008 |
109 |
305 |
|
|
2 |
A' |
3157 |
2943 |
0.932 |
109 |
306 |
|
|
3 |
A' |
1829 |
1770 |
0.968 |
109 |
307 |
|
|
4 |
A' |
1436 |
1387 |
0.966 |
109 |
308 |
|
|
5 |
A' |
1350 |
1229 |
0.911 |
109 |
309 |
|
|
6 |
A' |
1076 |
1105 |
1.027 |
109 |
310 |
|
|
7 |
A' |
529 |
625 |
1.182 |
109 |
311 |
|
|
8 |
A" |
945 |
1033 |
1.093 |
109 |
312 |
|
|
9 |
A" |
684 |
638 |
0.933 |
109 |
313 |
HNO3 |
Nitric acid |
1 |
A' |
3493 |
3550 |
1.016 |
110 |
314 |
|
|
2 |
A' |
1679 |
1708 |
1.017 |
110 |
315 |
|
|
3 |
A' |
1272 |
1331 |
1.047 |
110 |
316 |
|
|
4 |
A' |
1247 |
1325 |
1.063 |
110 |
317 |
|
|
5 |
A' |
862 |
879 |
1.020 |
110 |
318 |
|
|
6 |
A' |
503 |
647 |
1.286 |
110 |
319 |
|
|
7 |
A' |
399 |
579 |
1.450 |
110 |
320 |
|
|
8 |
A" |
538 |
762 |
1.415 |
110 |
321 |
|
|
9 |
A" |
497 |
456 |
0.918 |
110 |
322 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2218 |
2196 |
0.990 |
111 |
323 |
|
|
2 |
Σg |
760 |
786 |
1.034 |
111 |
324 |
|
|
3 |
Σu |
2472 |
2258 |
0.914 |
111 |
325 |
|
|
4 |
Σu |
1552 |
1573 |
1.013 |
111 |
326 |
|
|
5 |
Πg |
484 |
573 |
1.185 |
111 |
327 |
|
|
6 |
Πu |
459 |
550 |
1.198 |
111 |
328 |
|
|
7 |
Πu |
124 |
61 |
0.492 |
111 |
329 |
CH3F |
Methyl fluoride |
1 |
A1 |
3107 |
2930 |
0.943 |
112 |
330 |
|
|
2 |
A1 |
1599 |
1464 |
0.915 |
112 |
331 |
|
|
3 |
A1 |
1166 |
1049 |
0.900 |
112 |
332 |
|
|
4 |
E |
3241 |
3006 |
0.928 |
112 |
333 |
|
|
5 |
E |
1618 |
1467 |
0.906 |
112 |
334 |
|
|
6 |
E |
1197 |
1182 |
0.988 |
112 |
335 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
2999 |
2948 |
0.983 |
113 |
336 |
|
|
2 |
A1 |
1599 |
1508 |
0.943 |
113 |
337 |
|
|
3 |
A1 |
1118 |
1111 |
0.994 |
113 |
338 |
|
|
4 |
A1 |
479 |
529 |
1.103 |
113 |
339 |
|
|
5 |
A2 |
1234 |
1262 |
1.022 |
113 |
340 |
|
|
6 |
B1 |
3069 |
3014 |
0.982 |
113 |
341 |
|
|
7 |
B1 |
1117 |
1178 |
1.055 |
113 |
342 |
|
|
8 |
B2 |
1485 |
1435 |
0.966 |
113 |
343 |
|
|
9 |
B2 |
1157 |
1090 |
0.942 |
113 |
344 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
2950 |
3036 |
1.029 |
114 |
345 |
|
|
2 |
A1 |
1064 |
1117 |
1.050 |
114 |
346 |
|
|
3 |
A1 |
612 |
700 |
1.143 |
114 |
347 |
|
|
4 |
E |
1387 |
1372 |
0.989 |
114 |
348 |
|
|
5 |
E |
1145 |
1152 |
1.006 |
114 |
349 |
|
|
6 |
E |
424 |
507 |
1.196 |
114 |
350 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
841 |
909 |
1.080 |
115 |
351 |
|
|
2 |
E |
341 |
435 |
1.275 |
115 |
352 |
|
|
3 |
T2 |
1265 |
1283 |
1.014 |
115 |
353 |
|
|
4 |
T2 |
515 |
631 |
1.225 |
115 |
354 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
673 |
800 |
1.189 |
116 |
355 |
|
|
2 |
E |
201 |
268 |
1.334 |
116 |
356 |
|
|
3 |
T2 |
951 |
1032 |
1.085 |
116 |
357 |
|
|
4 |
T2 |
291 |
389 |
1.335 |
116 |
358 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1179 |
1417 |
1.202 |
117 |
359 |
|
|
2 |
A1 |
686 |
873 |
1.273 |
117 |
360 |
|
|
3 |
A1 |
318 |
472 |
1.486 |
117 |
361 |
|
|
4 |
E |
817 |
991 |
1.213 |
117 |
362 |
|
|
5 |
E |
278 |
482 |
1.737 |
117 |
363 |
|
|
6 |
E |
204 |
336 |
1.647 |
117 |
364 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3244 |
2966 |
0.914 |
118 |
365 |
|
|
2 |
A1 |
1456 |
1355 |
0.930 |
118 |
366 |
|
|
3 |
A1 |
818 |
732 |
0.895 |
118 |
367 |
|
|
4 |
E |
3432 |
3042 |
0.886 |
118 |
368 |
|
|
5 |
E |
1591 |
1455 |
0.914 |
118 |
369 |
|
|
6 |
E |
1054 |
1015 |
0.963 |
118 |
370 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2578 |
2201 |
0.854 |
119 |
371 |
|
|
2 |
A1 |
1014 |
949 |
0.936 |
119 |
372 |
|
|
3 |
A1 |
588 |
551 |
0.938 |
119 |
373 |
|
|
4 |
E |
2644 |
2195 |
0.830 |
119 |
374 |
|
|
5 |
E |
1048 |
954 |
0.910 |
119 |
375 |
|
|
6 |
E |
701 |
664 |
0.947 |
119 |
376 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3263 |
2999 |
0.919 |
120 |
377 |
|
|
2 |
A1 |
1520 |
1467 |
0.965 |
120 |
378 |
|
|
3 |
A1 |
749 |
717 |
0.957 |
120 |
379 |
|
|
4 |
A1 |
270 |
282 |
1.043 |
120 |
380 |
|
|
5 |
A2 |
1182 |
1153 |
0.975 |
120 |
381 |
|
|
6 |
B1 |
3399 |
3040 |
0.894 |
120 |
382 |
|
|
7 |
B1 |
895 |
898 |
1.003 |
120 |
383 |
|
|
8 |
B2 |
1307 |
1268 |
0.970 |
120 |
384 |
|
|
9 |
B2 |
841 |
758 |
0.901 |
120 |
385 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1027 |
1105 |
1.076 |
121 |
386 |
|
|
2 |
A1 |
694 |
781 |
1.125 |
121 |
387 |
|
|
3 |
A1 |
394 |
476 |
1.208 |
121 |
388 |
|
|
4 |
E |
1322 |
1212 |
0.917 |
121 |
389 |
|
|
5 |
E |
476 |
563 |
1.184 |
121 |
390 |
|
|
6 |
E |
277 |
350 |
1.266 |
121 |
391 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2569 |
2224 |
0.866 |
122 |
392 |
|
|
2 |
A1 |
1011 |
954 |
0.944 |
122 |
393 |
|
|
3 |
A1 |
547 |
527 |
0.963 |
122 |
394 |
|
|
4 |
A1 |
182 |
188 |
1.030 |
122 |
395 |
|
|
5 |
A2 |
761 |
710 |
0.932 |
122 |
396 |
|
|
6 |
B1 |
2621 |
2237 |
0.854 |
122 |
397 |
|
|
7 |
B1 |
599 |
602 |
1.004 |
122 |
398 |
|
|
8 |
B2 |
912 |
876 |
0.961 |
122 |
399 |
|
|
9 |
B2 |
625 |
590 |
0.944 |
122 |
400 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
613 |
1061 |
1.732 |
123 |
401 |
|
|
2 |
A1 |
437 |
715 |
1.637 |
123 |
402 |
|
|
3 |
A1 |
175 |
549 |
3.141 |
123 |
403 |
|
|
4 |
E |
703 |
1315 |
1.869 |
123 |
404 |
|
|
5 |
E |
191 |
589 |
3.088 |
123 |
405 |
|
|
6 |
E |
124 |
405 |
3.264 |
123 |
406 |
CHCl3 |
Chloroform |
1 |
A1 |
3293 |
3034 |
0.921 |
124 |
407 |
|
|
2 |
A1 |
674 |
680 |
1.008 |
124 |
408 |
|
|
3 |
A1 |
354 |
366 |
1.034 |
124 |
409 |
|
|
4 |
E |
1225 |
1220 |
0.996 |
124 |
410 |
|
|
5 |
E |
831 |
774 |
0.931 |
124 |
411 |
|
|
6 |
E |
239 |
260 |
1.087 |
124 |
412 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1189 |
1101 |
0.926 |
125 |
413 |
|
|
2 |
A1 |
620 |
667 |
1.075 |
125 |
414 |
|
|
3 |
A1 |
403 |
458 |
1.137 |
125 |
415 |
|
|
4 |
A1 |
212 |
262 |
1.236 |
125 |
416 |
|
|
5 |
A2 |
267 |
322 |
1.208 |
125 |
417 |
|
|
6 |
B1 |
803 |
902 |
1.123 |
125 |
418 |
|
|
7 |
B1 |
384 |
437 |
1.138 |
125 |
419 |
|
|
8 |
B2 |
1358 |
1159 |
0.854 |
125 |
420 |
|
|
9 |
B2 |
377 |
446 |
1.183 |
125 |
421 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1314 |
1085 |
0.826 |
126 |
422 |
|
|
2 |
A1 |
519 |
535 |
1.032 |
126 |
423 |
|
|
3 |
A1 |
305 |
350 |
1.147 |
126 |
424 |
|
|
4 |
E |
823 |
847 |
1.029 |
126 |
425 |
|
|
5 |
E |
366 |
394 |
1.076 |
126 |
426 |
|
|
6 |
E |
208 |
241 |
1.157 |
126 |
427 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
939 |
1205 |
1.283 |
127 |
428 |
|
|
2 |
A1 |
407 |
577 |
1.417 |
127 |
429 |
|
|
3 |
A1 |
250 |
408 |
1.632 |
127 |
430 |
|
|
4 |
A1 |
106 |
218 |
2.055 |
127 |
431 |
|
|
5 |
A2 |
168 |
282 |
1.683 |
127 |
432 |
|
|
6 |
B1 |
423 |
586 |
1.384 |
127 |
433 |
|
|
7 |
B1 |
224 |
388 |
1.733 |
127 |
434 |
|
|
8 |
B2 |
1041 |
1434 |
1.377 |
127 |
435 |
|
|
9 |
B2 |
217 |
362 |
1.666 |
127 |
436 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2563 |
2261 |
0.882 |
128 |
437 |
|
|
2 |
A1 |
496 |
499 |
1.006 |
128 |
438 |
|
|
3 |
A1 |
235 |
254 |
1.081 |
128 |
439 |
|
|
4 |
E |
819 |
811 |
0.991 |
128 |
440 |
|
|
5 |
E |
624 |
600 |
0.962 |
128 |
441 |
|
|
6 |
E |
163 |
176 |
1.080 |
128 |
442 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
452 |
459 |
1.015 |
129 |
443 |
|
|
2 |
E |
193 |
217 |
1.124 |
129 |
444 |
|
|
3 |
T2 |
836 |
776 |
0.928 |
129 |
445 |
|
|
4 |
T2 |
290 |
314 |
1.082 |
129 |
446 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1191 |
1322 |
1.110 |
130 |
447 |
|
|
2 |
A1 |
433 |
481 |
1.111 |
130 |
448 |
|
|
3 |
A1 |
199 |
266 |
1.336 |
130 |
449 |
|
|
4 |
E |
519 |
590 |
1.136 |
130 |
450 |
|
|
5 |
E |
241 |
333 |
1.382 |
130 |
451 |
|
|
6 |
E |
137 |
187 |
1.369 |
130 |
452 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
410 |
424 |
1.035 |
131 |
453 |
|
|
2 |
E |
133 |
150 |
1.130 |
131 |
454 |
|
|
3 |
T2 |
641 |
621 |
0.968 |
131 |
455 |
|
|
4 |
T2 |
199 |
221 |
1.110 |
131 |
456 |
C2H4 |
Ethylene |
1 |
Ag |
3347 |
3026 |
0.904 |
132 |
457 |
|
|
2 |
Ag |
1796 |
1623 |
0.904 |
132 |
458 |
|
|
3 |
Ag |
1448 |
1342 |
0.927 |
132 |
459 |
|
|
4 |
Au |
1128 |
1023 |
0.907 |
132 |
460 |
|
|
5 |
B1u |
3318 |
2989 |
0.901 |
132 |
461 |
|
|
6 |
B1u |
1563 |
1444 |
0.923 |
132 |
462 |
|
|
7 |
B2g |
968 |
940 |
0.970 |
132 |
463 |
|
|
8 |
B2u |
3488 |
3105 |
0.890 |
132 |
464 |
|
|
9 |
B2u |
857 |
826 |
0.963 |
132 |
465 |
|
|
10 |
B3g |
3469 |
3086 |
0.890 |
132 |
466 |
|
|
11 |
B3g |
1294 |
1217 |
0.940 |
132 |
467 |
|
|
12 |
B3u |
994 |
949 |
0.955 |
132 |
468 |
C3H3 |
Propargyl radical |
1 |
A1 |
3597 |
3322 |
0.924 |
133 |
469 |
|
|
6 |
B1 |
608 |
687 |
1.131 |
133 |
470 |
|
|
7 |
B1 |
459 |
490 |
1.069 |
133 |
471 |
N2H4 |
Hydrazine |
1 |
A |
3470 |
3398 |
0.979 |
134 |
472 |
|
|
2 |
A |
3263 |
3329 |
1.020 |
134 |
473 |
|
|
3 |
A |
1808 |
1642 |
0.908 |
134 |
474 |
|
|
4 |
A |
1409 |
1275 |
0.905 |
134 |
475 |
|
|
5 |
A |
1139 |
1076 |
0.945 |
134 |
476 |
|
|
6 |
A |
1000 |
780 |
0.780 |
134 |
477 |
|
|
7 |
A |
357 |
377 |
1.055 |
134 |
478 |
|
|
8 |
B |
3448 |
3350 |
0.972 |
134 |
479 |
|
|
9 |
B |
3280 |
3314 |
1.010 |
134 |
480 |
|
|
10 |
B |
1788 |
1628 |
0.910 |
134 |
481 |
|
|
11 |
B |
1542 |
1275 |
0.827 |
134 |
482 |
|
|
12 |
B |
1163 |
966 |
0.831 |
134 |
483 |
CH3CN |
Acetonitrile |
1 |
A1 |
3234 |
2954 |
0.913 |
135 |
484 |
|
|
2 |
A1 |
2312 |
2267 |
0.981 |
135 |
485 |
|
|
3 |
A1 |
1497 |
1385 |
0.925 |
135 |
486 |
|
|
4 |
A1 |
931 |
920 |
0.989 |
135 |
487 |
|
|
5 |
E |
3392 |
3009 |
0.887 |
135 |
488 |
|
|
6 |
E |
1595 |
1448 |
0.908 |
135 |
489 |
|
|
7 |
E |
1103 |
1041 |
0.944 |
135 |
490 |
|
|
8 |
E |
359 |
362 |
1.008 |
135 |
491 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2320 |
2290 |
0.987 |
136 |
492 |
|
|
2 |
Σg |
2114 |
2119 |
1.002 |
136 |
493 |
|
|
3 |
Σg |
608 |
692 |
1.139 |
136 |
494 |
|
|
4 |
Σu |
2218 |
2241 |
1.010 |
136 |
495 |
|
|
5 |
Σu |
1166 |
1154 |
0.989 |
136 |
496 |
|
|
6 |
Πg |
540 |
504 |
0.933 |
136 |
497 |
|
|
7 |
Πg |
260 |
263 |
1.011 |
136 |
498 |
|
|
8 |
Πu |
501 |
472 |
0.942 |
136 |
499 |
|
|
9 |
Πu |
107 |
107 |
0.996 |
136 |
500 |
CH3OH |
Methyl alcohol |
1 |
A' |
3567 |
3681 |
1.032 |
137 |
501 |
|
|
2 |
A' |
3355 |
3000 |
0.894 |
137 |
502 |
|
|
3 |
A' |
3134 |
2844 |
0.908 |
137 |
503 |
|
|
4 |
A' |
1647 |
1477 |
0.897 |
137 |
504 |
|
|
5 |
A' |
1565 |
1455 |
0.930 |
137 |
505 |
|
|
6 |
A' |
1550 |
1345 |
0.867 |
137 |
506 |
|
|
7 |
A' |
1126 |
1060 |
0.941 |
137 |
507 |
|
|
8 |
A' |
1052 |
1033 |
0.982 |
137 |
508 |
|
|
9 |
A" |
3256 |
2960 |
0.909 |
137 |
509 |
|
|
10 |
A" |
1618 |
1477 |
0.913 |
137 |
510 |
|
|
11 |
A" |
1151 |
1165 |
1.012 |
137 |
511 |
|
|
12 |
A" |
414 |
200 |
0.484 |
137 |
512 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3069 |
2843 |
0.926 |
138 |
513 |
|
|
2 |
Ag |
1736 |
1745 |
1.005 |
138 |
514 |
|
|
3 |
Ag |
1399 |
1338 |
0.956 |
138 |
515 |
|
|
4 |
Ag |
980 |
1065 |
1.086 |
138 |
516 |
|
|
5 |
Ag |
515 |
551 |
1.070 |
138 |
517 |
|
|
6 |
Au |
723 |
801 |
1.107 |
138 |
518 |
|
|
7 |
Au |
130 |
127 |
0.978 |
138 |
519 |
|
|
8 |
Bg |
953 |
1048 |
1.100 |
138 |
520 |
|
|
9 |
Bu |
3069 |
2835 |
0.924 |
138 |
521 |
|
|
10 |
Bu |
1726 |
1732 |
1.003 |
138 |
522 |
|
|
11 |
Bu |
1353 |
1312 |
0.970 |
138 |
523 |
|
|
12 |
Bu |
303 |
339 |
1.118 |
138 |
524 |
CH3SH |
Methanethiol |
1 |
A' |
3408 |
3000 |
0.880 |
139 |
525 |
|
|
2 |
A' |
3219 |
2931 |
0.911 |
139 |
526 |
|
|
3 |
A' |
2876 |
2597 |
0.903 |
139 |
527 |
|
|
4 |
A' |
1652 |
1475 |
0.893 |
139 |
528 |
|
|
5 |
A' |
1509 |
1335 |
0.884 |
139 |
529 |
|
|
6 |
A' |
1201 |
1074 |
0.894 |
139 |
530 |
|
|
7 |
A' |
895 |
803 |
0.897 |
139 |
531 |
|
|
8 |
A' |
829 |
708 |
0.854 |
139 |
532 |
|
|
9 |
A" |
3371 |
3000 |
0.890 |
139 |
533 |
|
|
10 |
A" |
1638 |
1430 |
0.873 |
139 |
534 |
|
|
11 |
A" |
1045 |
976 |
0.934 |
139 |
535 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3505 |
3115 |
0.889 |
140 |
536 |
|
|
2 |
A' |
3349 |
3080 |
0.920 |
140 |
537 |
|
|
3 |
A' |
3273 |
3052 |
0.932 |
140 |
538 |
|
|
4 |
A' |
1786 |
1654 |
0.926 |
140 |
539 |
|
|
5 |
A' |
1520 |
1380 |
0.908 |
140 |
540 |
|
|
6 |
A' |
1368 |
1306 |
0.954 |
140 |
541 |
|
|
7 |
A' |
1246 |
1156 |
0.928 |
140 |
542 |
|
|
8 |
A' |
994 |
929 |
0.935 |
140 |
543 |
|
|
9 |
A' |
474 |
483 |
1.020 |
140 |
544 |
|
|
10 |
A" |
994 |
940 |
0.945 |
140 |
545 |
|
|
11 |
A" |
839 |
863 |
1.029 |
140 |
546 |
|
|
12 |
A" |
697 |
711 |
1.020 |
140 |
547 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3360 |
3070 |
0.914 |
141 |
548 |
|
|
2 |
A1 |
1772 |
1728 |
0.975 |
141 |
549 |
|
|
3 |
A1 |
1495 |
1360 |
0.910 |
141 |
550 |
|
|
4 |
A1 |
943 |
926 |
0.982 |
141 |
551 |
|
|
5 |
A1 |
485 |
550 |
1.134 |
141 |
552 |
|
|
6 |
A2 |
681 |
714 |
1.049 |
141 |
553 |
|
|
7 |
B1 |
739 |
803 |
1.087 |
141 |
554 |
|
|
8 |
B1 |
571 |
611 |
1.070 |
141 |
555 |
|
|
9 |
B2 |
3521 |
3154 |
0.896 |
141 |
556 |
|
|
10 |
B2 |
1429 |
1302 |
0.911 |
141 |
557 |
|
|
11 |
B2 |
987 |
955 |
0.968 |
141 |
558 |
|
|
12 |
B2 |
409 |
438 |
1.072 |
141 |
559 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2213 |
2275 |
1.028 |
142 |
560 |
|
|
2 |
A1 |
1044 |
1227 |
1.175 |
142 |
561 |
|
|
3 |
A1 |
726 |
802 |
1.104 |
142 |
562 |
|
|
4 |
A1 |
427 |
522 |
1.222 |
142 |
563 |
|
|
5 |
E |
1248 |
1214 |
0.973 |
142 |
564 |
|
|
6 |
E |
558 |
618 |
1.108 |
142 |
565 |
|
|
7 |
E |
386 |
463 |
1.198 |
142 |
566 |
|
|
8 |
E |
139 |
196 |
1.408 |
142 |
567 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1741 |
1872 |
1.075 |
143 |
568 |
|
|
2 |
Ag |
767 |
778 |
1.015 |
143 |
569 |
|
|
3 |
Ag |
347 |
394 |
1.136 |
143 |
570 |
|
|
4 |
Au |
162 |
190 |
1.170 |
143 |
571 |
|
|
5 |
B1u |
1188 |
1186 |
0.999 |
143 |
572 |
|
|
6 |
B1u |
489 |
558 |
1.140 |
143 |
573 |
|
|
7 |
B2g |
307 |
508 |
1.652 |
143 |
574 |
|
|
8 |
B2u |
1367 |
1337 |
0.978 |
143 |
575 |
|
|
9 |
B2u |
169 |
218 |
1.287 |
143 |
576 |
|
|
10 |
B3g |
1420 |
1340 |
0.944 |
143 |
577 |
|
|
11 |
B3g |
504 |
551 |
1.093 |
143 |
578 |
|
|
12 |
B3u |
375 |
406 |
1.083 |
143 |
579 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
652 |
816 |
1.251 |
144 |
580 |
|
|
2 |
A1' |
614 |
648 |
1.056 |
144 |
581 |
|
|
3 |
A2" |
936 |
947 |
1.011 |
144 |
582 |
|
|
4 |
A2" |
397 |
575 |
1.450 |
144 |
583 |
|
|
5 |
E' |
869 |
1024 |
1.179 |
144 |
584 |
|
|
6 |
E' |
358 |
533 |
1.490 |
144 |
585 |
|
|
7 |
E' |
63 |
174 |
2.781 |
144 |
586 |
|
|
8 |
E" |
349 |
520 |
1.492 |
144 |
587 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3492 |
3602 |
1.032 |
145 |
588 |
|
|
2 |
A |
1197 |
1486 |
1.241 |
145 |
589 |
|
|
3 |
A |
1044 |
1243 |
1.191 |
145 |
590 |
|
|
4 |
A |
923 |
1150 |
1.246 |
145 |
591 |
|
|
5 |
A |
664 |
896 |
1.350 |
145 |
592 |
|
|
6 |
A |
601 |
823 |
1.369 |
145 |
593 |
|
|
7 |
A |
276 |
562 |
2.036 |
145 |
594 |
|
|
8 |
A |
271 |
551 |
2.033 |
145 |
595 |
|
|
9 |
A |
263 |
518 |
1.971 |
145 |
596 |
|
|
10 |
A |
248 |
409 |
1.647 |
145 |
597 |
|
|
11 |
A |
174 |
390 |
2.247 |
145 |
598 |
|
|
12 |
A |
166 |
266 |
1.602 |
145 |
599 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3491 |
3121 |
0.894 |
146 |
600 |
|
|
2 |
A' |
3396 |
3086 |
0.909 |
146 |
601 |
|
|
3 |
A' |
3334 |
3030 |
0.909 |
146 |
602 |
|
|
4 |
A' |
1753 |
1608 |
0.917 |
146 |
603 |
|
|
5 |
A' |
1475 |
1368 |
0.928 |
146 |
604 |
|
|
6 |
A' |
1328 |
1279 |
0.963 |
146 |
605 |
|
|
7 |
A' |
1070 |
1030 |
0.963 |
146 |
606 |
|
|
8 |
A' |
765 |
720 |
0.941 |
146 |
607 |
|
|
9 |
A' |
384 |
395 |
1.028 |
146 |
608 |
|
|
10 |
A" |
1002 |
941 |
0.939 |
146 |
609 |
|
|
11 |
A" |
920 |
896 |
0.974 |
146 |
610 |
|
|
12 |
A" |
622 |
620 |
0.996 |
146 |
611 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3337 |
3035 |
0.909 |
147 |
612 |
|
|
2 |
A1 |
1737 |
1627 |
0.937 |
147 |
613 |
|
|
3 |
A1 |
1455 |
1400 |
0.962 |
147 |
614 |
|
|
4 |
A1 |
610 |
603 |
0.989 |
147 |
615 |
|
|
5 |
A1 |
276 |
299 |
1.083 |
147 |
616 |
|
|
6 |
A2 |
706 |
686 |
0.972 |
147 |
617 |
|
|
7 |
B1 |
884 |
875 |
0.990 |
147 |
618 |
|
|
8 |
B1 |
435 |
460 |
1.058 |
147 |
619 |
|
|
9 |
B2 |
3494 |
3130 |
0.896 |
147 |
620 |
|
|
10 |
B2 |
1156 |
1095 |
0.947 |
147 |
621 |
|
|
11 |
B2 |
834 |
800 |
0.959 |
147 |
622 |
|
|
12 |
B2 |
352 |
372 |
1.058 |
147 |
623 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3399 |
3077 |
0.905 |
148 |
624 |
|
|
2 |
A1 |
1728 |
1587 |
0.918 |
148 |
625 |
|
|
3 |
A1 |
1208 |
1179 |
0.976 |
148 |
626 |
|
|
4 |
A1 |
752 |
711 |
0.946 |
148 |
627 |
|
|
5 |
A1 |
150 |
173 |
1.155 |
148 |
628 |
|
|
6 |
A2 |
883 |
876 |
0.992 |
148 |
629 |
|
|
7 |
A2 |
391 |
406 |
1.038 |
148 |
630 |
|
|
8 |
B1 |
701 |
697 |
0.994 |
148 |
631 |
|
|
9 |
B2 |
3373 |
3072 |
0.911 |
148 |
632 |
|
|
10 |
B2 |
1347 |
1303 |
0.968 |
148 |
633 |
|
|
11 |
B2 |
898 |
857 |
0.954 |
148 |
634 |
|
|
12 |
B2 |
564 |
571 |
1.012 |
148 |
635 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3409 |
3073 |
0.901 |
149 |
636 |
|
|
2 |
Ag |
1716 |
1578 |
0.920 |
149 |
637 |
|
|
3 |
Ag |
1304 |
1274 |
0.977 |
149 |
638 |
|
|
4 |
Ag |
879 |
846 |
0.962 |
149 |
639 |
|
|
5 |
Ag |
345 |
350 |
1.015 |
149 |
640 |
|
|
6 |
Au |
942 |
900 |
0.955 |
149 |
641 |
|
|
7 |
Au |
207 |
227 |
1.095 |
149 |
642 |
|
|
8 |
Bg |
735 |
763 |
1.038 |
149 |
643 |
|
|
9 |
Bu |
3391 |
3090 |
0.911 |
149 |
644 |
|
|
10 |
Bu |
1224 |
1200 |
0.981 |
149 |
645 |
|
|
11 |
Bu |
884 |
828 |
0.937 |
149 |
646 |
|
|
12 |
Bu |
218 |
250 |
1.148 |
149 |
647 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3392 |
3082 |
0.909 |
150 |
648 |
|
|
2 |
A' |
1705 |
1586 |
0.930 |
150 |
649 |
|
|
3 |
A' |
1272 |
1247 |
0.980 |
150 |
650 |
|
|
4 |
A' |
992 |
931 |
0.939 |
150 |
651 |
|
|
5 |
A' |
887 |
840 |
0.947 |
150 |
652 |
|
|
6 |
A' |
630 |
630 |
1.001 |
150 |
653 |
|
|
7 |
A' |
377 |
384 |
1.019 |
150 |
654 |
|
|
8 |
A' |
253 |
277 |
1.094 |
150 |
655 |
|
|
9 |
A' |
151 |
178 |
1.182 |
150 |
656 |
|
|
10 |
A" |
774 |
780 |
1.007 |
150 |
657 |
|
|
11 |
A" |
423 |
451 |
1.066 |
150 |
658 |
|
|
12 |
A" |
196 |
215 |
1.098 |
150 |
659 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1212 |
1122 |
0.926 |
151 |
660 |
|
|
2 |
A1 |
424 |
401 |
0.946 |
151 |
661 |
|
|
3 |
A1 |
177 |
176 |
0.997 |
151 |
662 |
|
|
5 |
B2 |
775 |
728 |
0.939 |
151 |
663 |
|
|
6 |
B2 |
296 |
289 |
0.975 |
151 |
664 |
|
|
7 |
E |
1021 |
917 |
0.898 |
151 |
665 |
|
|
8 |
E |
494 |
512 |
1.036 |
151 |
666 |
|
|
9 |
E |
96 |
104 |
1.083 |
151 |
667 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1674 |
1571 |
0.938 |
152 |
668 |
|
|
2 |
Ag |
447 |
447 |
0.999 |
152 |
669 |
|
|
3 |
Ag |
213 |
237 |
1.115 |
152 |
670 |
|
|
4 |
Au |
94 |
110 |
1.169 |
152 |
671 |
|
|
5 |
B1u |
790 |
777 |
0.984 |
152 |
672 |
|
|
6 |
B1u |
288 |
310 |
1.077 |
152 |
673 |
|
|
7 |
B2g |
449 |
512 |
1.141 |
152 |
674 |
|
|
8 |
B2u |
977 |
908 |
0.930 |
152 |
675 |
|
|
9 |
B2u |
154 |
176 |
1.143 |
152 |
676 |
|
|
10 |
B3g |
1054 |
1000 |
0.948 |
152 |
677 |
|
|
11 |
B3g |
333 |
347 |
1.042 |
152 |
678 |
|
|
12 |
B3u |
273 |
288 |
1.056 |
152 |
679 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
371 |
394 |
1.062 |
153 |
680 |
|
|
2 |
A1' |
321 |
264 |
0.823 |
153 |
681 |
|
|
3 |
A2" |
554 |
465 |
0.839 |
153 |
682 |
|
|
4 |
A2" |
254 |
299 |
1.179 |
153 |
683 |
|
|
5 |
E' |
554 |
592 |
1.068 |
153 |
684 |
|
|
6 |
E' |
226 |
273 |
1.207 |
153 |
685 |
|
|
7 |
E' |
60 |
100 |
1.655 |
153 |
686 |
|
|
8 |
E" |
216 |
282 |
1.307 |
153 |
687 |
CH3CCH |
propyne |
1 |
A1 |
3619 |
3334 |
0.921 |
154 |
688 |
|
|
2 |
A1 |
3227 |
2918 |
0.904 |
154 |
689 |
|
|
3 |
A1 |
2353 |
2124 |
0.903 |
154 |
690 |
|
|
4 |
A1 |
1516 |
1382 |
0.912 |
154 |
691 |
|
|
5 |
A1 |
973 |
931 |
0.957 |
154 |
692 |
|
|
6 |
E |
3380 |
3008 |
0.890 |
154 |
693 |
|
|
7 |
E |
1612 |
1452 |
0.901 |
154 |
694 |
|
|
8 |
E |
1113 |
1053 |
0.946 |
154 |
695 |
|
|
9 |
E |
691 |
633 |
0.916 |
154 |
696 |
|
|
10 |
E |
337 |
328 |
0.973 |
154 |
697 |
CH2CCH2 |
allene |
1 |
A1 |
3298 |
3015 |
0.914 |
155 |
698 |
|
|
2 |
A1 |
1576 |
1443 |
0.916 |
155 |
699 |
|
|
3 |
A1 |
1149 |
1073 |
0.934 |
155 |
700 |
|
|
4 |
B1 |
932 |
865 |
0.928 |
155 |
701 |
|
|
5 |
B2 |
3299 |
3007 |
0.911 |
155 |
702 |
|
|
6 |
B2 |
2161 |
1957 |
0.905 |
155 |
703 |
|
|
7 |
B2 |
1517 |
1398 |
0.922 |
155 |
704 |
|
|
8 |
E |
3429 |
3086 |
0.900 |
155 |
705 |
|
|
9 |
E |
1067 |
999 |
0.936 |
155 |
706 |
|
|
10 |
E |
888 |
841 |
0.947 |
155 |
707 |
|
|
11 |
E |
355 |
355 |
1.001 |
155 |
708 |
C3H4 |
cyclopropene |
1 |
A1 |
3487 |
3158 |
0.906 |
156 |
709 |
|
|
2 |
A1 |
3257 |
2909 |
0.893 |
156 |
710 |
|
|
3 |
A1 |
1820 |
1653 |
0.908 |
156 |
711 |
|
|
4 |
A1 |
1621 |
1483 |
0.915 |
156 |
712 |
|
|
5 |
A1 |
1298 |
1110 |
0.855 |
156 |
713 |
|
|
6 |
A1 |
972 |
905 |
0.931 |
156 |
714 |
|
|
7 |
A2 |
1081 |
996 |
0.921 |
156 |
715 |
|
|
8 |
A2 |
876 |
820 |
0.936 |
156 |
716 |
|
|
9 |
B1 |
3390 |
2995 |
0.884 |
156 |
717 |
|
|
10 |
B1 |
1153 |
1088 |
0.943 |
156 |
718 |
|
|
11 |
B1 |
647 |
569 |
0.879 |
156 |
719 |
|
|
12 |
B2 |
3418 |
3124 |
0.914 |
156 |
720 |
|
|
13 |
B2 |
1167 |
1043 |
0.894 |
156 |
721 |
|
|
14 |
B2 |
1117 |
1011 |
0.905 |
156 |
722 |
|
|
15 |
B2 |
878 |
769 |
0.876 |
156 |
723 |
CH3NH2 |
methyl amine |
1 |
A' |
3364 |
3361 |
0.999 |
157 |
724 |
|
|
2 |
A' |
3335 |
2961 |
0.888 |
157 |
725 |
|
|
3 |
A' |
3188 |
2820 |
0.884 |
157 |
726 |
|
|
4 |
A' |
1819 |
1623 |
0.892 |
157 |
727 |
|
|
5 |
A' |
1632 |
1473 |
0.903 |
157 |
728 |
|
|
6 |
A' |
1541 |
1430 |
0.928 |
157 |
729 |
|
|
7 |
A' |
1276 |
1130 |
0.885 |
157 |
730 |
|
|
8 |
A' |
1082 |
1044 |
0.965 |
157 |
731 |
|
|
9 |
A' |
926 |
780 |
0.842 |
157 |
732 |
|
|
10 |
A" |
3536 |
3427 |
0.969 |
157 |
733 |
|
|
11 |
A" |
3401 |
2985 |
0.878 |
157 |
734 |
|
|
12 |
A" |
1647 |
1485 |
0.902 |
157 |
735 |
|
|
13 |
A" |
1466 |
1335 |
0.911 |
157 |
736 |
|
|
14 |
A" |
1011 |
|
|
157 |
737 |
|
|
15 |
A" |
353 |
268 |
0.759 |
157 |
738 |
C3H3N |
acrylonitrile |
1 |
A' |
3492 |
3125 |
0.895 |
158 |
739 |
|
|
2 |
A' |
3367 |
3078 |
0.914 |
158 |
740 |
|
|
3 |
A' |
3334 |
3042 |
0.913 |
158 |
741 |
|
|
4 |
A' |
2253 |
2239 |
0.994 |
158 |
742 |
|
|
5 |
A' |
1732 |
1615 |
0.933 |
158 |
743 |
|
|
6 |
A' |
1499 |
1416 |
0.945 |
158 |
744 |
|
|
7 |
A' |
1352 |
1282 |
0.949 |
158 |
745 |
|
|
8 |
A' |
1125 |
1096 |
0.974 |
158 |
746 |
|
|
9 |
A' |
883 |
869 |
0.984 |
158 |
747 |
|
|
10 |
A' |
565 |
570 |
1.010 |
158 |
748 |
|
|
11 |
A' |
225 |
242 |
1.074 |
158 |
749 |
|
|
12 |
A" |
1035 |
972 |
0.939 |
158 |
750 |
|
|
13 |
A" |
960 |
954 |
0.994 |
158 |
751 |
|
|
14 |
A" |
705 |
683 |
0.969 |
158 |
752 |
|
|
15 |
A" |
320 |
362 |
1.130 |
158 |
753 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3229 |
2935 |
0.909 |
159 |
754 |
|
|
2 |
A1 |
2301 |
2275 |
0.989 |
159 |
755 |
|
|
3 |
A1 |
1537 |
1395 |
0.908 |
159 |
756 |
|
|
4 |
A1 |
894 |
890 |
0.996 |
159 |
757 |
|
|
5 |
A1 |
565 |
582 |
1.030 |
159 |
758 |
|
|
6 |
A1 |
138 |
167 |
1.213 |
159 |
759 |
|
|
7 |
A2 |
1261 |
1220 |
0.967 |
159 |
760 |
|
|
8 |
A2 |
352 |
367 |
1.044 |
159 |
761 |
|
|
9 |
B1 |
3318 |
2968 |
0.894 |
159 |
762 |
|
|
10 |
B1 |
963 |
933 |
0.969 |
159 |
763 |
|
|
11 |
B1 |
330 |
337 |
1.022 |
159 |
764 |
|
|
12 |
B2 |
2291 |
2275 |
0.993 |
159 |
765 |
|
|
13 |
B2 |
1359 |
1318 |
0.970 |
159 |
766 |
|
|
14 |
B2 |
971 |
982 |
1.012 |
159 |
767 |
|
|
15 |
B2 |
355 |
366 |
1.031 |
159 |
768 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3600 |
3447 |
0.958 |
160 |
769 |
|
|
2 |
A' |
3423 |
3102 |
0.906 |
160 |
770 |
|
|
3 |
A' |
1433 |
1441 |
1.005 |
160 |
771 |
|
|
4 |
A' |
1407 |
1384 |
0.984 |
160 |
772 |
|
|
5 |
A' |
1187 |
1259 |
1.061 |
160 |
773 |
|
|
6 |
A' |
1123 |
1159 |
1.032 |
160 |
774 |
|
|
7 |
A' |
1087 |
1084 |
0.997 |
160 |
775 |
|
|
8 |
A' |
977 |
1015 |
1.039 |
160 |
776 |
|
|
9 |
A' |
955 |
1002 |
1.050 |
160 |
777 |
|
|
10 |
A' |
903 |
969 |
1.074 |
160 |
778 |
|
|
11 |
A' |
854 |
925 |
1.083 |
160 |
779 |
|
|
12 |
A" |
787 |
906 |
1.151 |
160 |
780 |
|
|
13 |
A" |
626 |
663 |
1.058 |
160 |
781 |
|
|
14 |
A" |
613 |
658 |
1.074 |
160 |
782 |
|
|
15 |
A" |
441 |
578 |
1.312 |
160 |
783 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3428 |
3014 |
0.879 |
161 |
784 |
|
|
2 |
A' |
3232 |
2923 |
0.904 |
161 |
785 |
|
|
3 |
A' |
3052 |
2716 |
0.890 |
161 |
786 |
|
|
4 |
A' |
1805 |
1743 |
0.965 |
161 |
787 |
|
|
5 |
A' |
1615 |
1433 |
0.887 |
161 |
788 |
|
|
6 |
A' |
1483 |
1395 |
0.941 |
161 |
789 |
|
|
7 |
A' |
1444 |
1352 |
0.937 |
161 |
790 |
|
|
8 |
A' |
1137 |
1114 |
0.980 |
161 |
791 |
|
|
9 |
A' |
911 |
867 |
0.951 |
161 |
792 |
|
|
10 |
A' |
484 |
509 |
1.053 |
161 |
793 |
|
|
11 |
A" |
3389 |
2964 |
0.875 |
161 |
794 |
|
|
12 |
A" |
1616 |
1431 |
0.886 |
161 |
795 |
|
|
13 |
A" |
1106 |
1102 |
0.997 |
161 |
796 |
|
|
14 |
A" |
772 |
764 |
0.989 |
161 |
797 |
|
|
15 |
A" |
151 |
150 |
0.995 |
161 |
798 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3240 |
3006 |
0.928 |
162 |
799 |
|
|
2 |
A1 |
1620 |
1467 |
0.906 |
162 |
800 |
|
|
3 |
A1 |
1341 |
1267 |
0.945 |
162 |
801 |
|
|
4 |
A1 |
1200 |
1146 |
0.955 |
162 |
802 |
|
|
5 |
A1 |
953 |
857 |
0.900 |
162 |
803 |
|
|
6 |
A2 |
3367 |
3063 |
0.910 |
162 |
804 |
|
|
7 |
A2 |
1179 |
1050 |
0.891 |
162 |
805 |
|
|
8 |
A2 |
1031 |
1020 |
0.989 |
162 |
806 |
|
|
9 |
B1 |
3378 |
3065 |
0.907 |
162 |
807 |
|
|
10 |
B1 |
1140 |
1146 |
1.005 |
162 |
808 |
|
|
11 |
B1 |
845 |
797 |
0.943 |
162 |
809 |
|
|
12 |
B2 |
3230 |
3006 |
0.931 |
162 |
810 |
|
|
13 |
B2 |
1582 |
1459 |
0.922 |
162 |
811 |
|
|
14 |
B2 |
1148 |
1159 |
1.009 |
162 |
812 |
|
|
15 |
B2 |
1004 |
824 |
0.821 |
162 |
813 |
H2SO4 |
Sulfuric acid |
1 |
A |
3494 |
3563 |
1.020 |
163 |
814 |
|
|
2 |
A |
1156 |
1216 |
1.052 |
163 |
815 |
|
|
3 |
A |
918 |
1136 |
1.238 |
163 |
816 |
|
|
4 |
A |
588 |
831 |
1.414 |
163 |
817 |
|
|
5 |
A |
290 |
548 |
1.890 |
163 |
818 |
|
|
6 |
A |
248 |
422 |
1.697 |
163 |
819 |
|
|
7 |
A |
166 |
379 |
2.276 |
163 |
820 |
|
|
8 |
A |
141 |
224 |
1.592 |
163 |
821 |
|
|
9 |
B |
3496 |
3567 |
1.020 |
163 |
822 |
|
|
10 |
B |
1225 |
1452 |
1.186 |
163 |
823 |
|
|
11 |
B |
1026 |
1157 |
1.127 |
163 |
824 |
|
|
12 |
B |
635 |
882 |
1.387 |
163 |
825 |
|
|
13 |
B |
280 |
558 |
1.994 |
163 |
826 |
|
|
14 |
B |
267 |
506 |
1.894 |
163 |
827 |
|
|
15 |
B |
227 |
288 |
1.268 |
163 |
828 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3430 |
3043 |
0.887 |
164 |
829 |
|
|
2 |
A' |
3244 |
2955 |
0.911 |
164 |
830 |
|
|
3 |
A' |
1838 |
1870 |
1.017 |
164 |
831 |
|
|
4 |
A' |
1612 |
1440 |
0.893 |
164 |
832 |
|
|
5 |
A' |
1478 |
1378 |
0.932 |
164 |
833 |
|
|
6 |
A' |
1273 |
1188 |
0.933 |
164 |
834 |
|
|
7 |
A' |
1028 |
1000 |
0.973 |
164 |
835 |
|
|
8 |
A' |
847 |
826 |
0.975 |
164 |
836 |
|
|
9 |
A' |
535 |
598 |
1.118 |
164 |
837 |
|
|
10 |
A' |
377 |
420 |
1.113 |
164 |
838 |
|
|
11 |
A" |
3406 |
3004 |
0.882 |
164 |
839 |
|
|
12 |
A" |
1613 |
1437 |
0.891 |
164 |
840 |
|
|
13 |
A" |
1066 |
1054 |
0.989 |
164 |
841 |
|
|
14 |
A" |
516 |
567 |
1.099 |
164 |
842 |
|
|
15 |
A" |
69 |
123 |
1.785 |
164 |
843 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
597 |
774 |
1.296 |
165 |
844 |
|
|
2 |
Eg |
562 |
642 |
1.142 |
165 |
845 |
|
|
3 |
T1u |
903 |
948 |
1.050 |
165 |
846 |
|
|
4 |
T1u |
361 |
616 |
1.707 |
165 |
847 |
|
|
5 |
T2g |
302 |
525 |
1.737 |
165 |
848 |
|
|
6 |
T2u |
211 |
347 |
1.641 |
165 |
849 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3426 |
3027 |
0.883 |
166 |
850 |
|
|
2 |
A' |
3245 |
2948 |
0.908 |
166 |
851 |
|
|
3 |
A' |
1895 |
1818 |
0.959 |
166 |
852 |
|
|
4 |
A' |
1592 |
1415 |
0.889 |
166 |
853 |
|
|
5 |
A' |
1473 |
1368 |
0.928 |
166 |
854 |
|
|
6 |
A' |
1148 |
1108 |
0.965 |
166 |
855 |
|
|
7 |
A' |
984 |
956 |
0.972 |
166 |
856 |
|
|
8 |
A' |
627 |
604 |
0.963 |
166 |
857 |
|
|
9 |
A' |
427 |
445 |
1.043 |
166 |
858 |
|
|
10 |
A' |
314 |
348 |
1.110 |
166 |
859 |
|
|
11 |
A" |
3409 |
2990 |
0.877 |
166 |
860 |
|
|
12 |
A" |
1586 |
1431 |
0.903 |
166 |
861 |
|
|
13 |
A" |
1073 |
1032 |
0.962 |
166 |
862 |
|
|
14 |
A" |
473 |
518 |
1.096 |
166 |
863 |
|
|
15 |
A" |
117 |
166 |
1.423 |
166 |
864 |
C2H6 |
Ethane |
1 |
A1g |
3248 |
2954 |
0.910 |
167 |
865 |
|
|
2 |
A1g |
1550 |
1388 |
0.895 |
167 |
866 |
|
|
3 |
A1g |
1077 |
995 |
0.924 |
167 |
867 |
|
|
4 |
A1u |
298 |
289 |
0.970 |
167 |
868 |
|
|
5 |
A2u |
3255 |
2896 |
0.890 |
167 |
869 |
|
|
6 |
A2u |
1530 |
1379 |
0.901 |
167 |
870 |
|
|
7 |
Eg |
3408 |
2969 |
0.871 |
167 |
871 |
|
|
8 |
Eg |
1647 |
1468 |
0.891 |
167 |
872 |
|
|
9 |
Eg |
1303 |
1190 |
0.914 |
167 |
873 |
|
|
10 |
Eu |
3426 |
2985 |
0.871 |
167 |
874 |
|
|
11 |
Eu |
1662 |
1469 |
0.884 |
167 |
875 |
|
|
12 |
Eu |
882 |
822 |
0.932 |
167 |
876 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3257 |
2898 |
0.890 |
168 |
877 |
|
|
2 |
A1 |
2587 |
2166 |
0.837 |
168 |
878 |
|
|
3 |
A1 |
1481 |
1260 |
0.851 |
168 |
879 |
|
|
4 |
A1 |
1044 |
940 |
0.900 |
168 |
880 |
|
|
5 |
A1 |
789 |
700 |
0.887 |
168 |
881 |
|
|
6 |
A2 |
173 |
187 |
1.083 |
168 |
882 |
|
|
7 |
E |
3424 |
2982 |
0.871 |
168 |
883 |
|
|
8 |
E |
2643 |
2169 |
0.821 |
168 |
884 |
|
|
9 |
E |
1661 |
1403 |
0.845 |
168 |
885 |
|
|
10 |
E |
1095 |
980 |
0.895 |
168 |
886 |
|
|
11 |
E |
1007 |
868 |
0.862 |
168 |
887 |
|
|
12 |
E |
613 |
540 |
0.882 |
168 |
888 |
Si2H6 |
disilane |
1 |
A1g |
2582 |
2152 |
0.833 |
169 |
889 |
|
|
2 |
A1g |
1057 |
909 |
0.860 |
169 |
890 |
|
|
3 |
A1g |
546 |
434 |
0.795 |
169 |
891 |
|
|
4 |
A1u |
84 |
131 |
1.560 |
169 |
892 |
|
|
5 |
A2u |
2583 |
2154 |
0.834 |
169 |
893 |
|
|
6 |
A2u |
977 |
844 |
0.864 |
169 |
894 |
|
|
7 |
Eg |
2634 |
2155 |
0.818 |
169 |
895 |
|
|
8 |
Eg |
1093 |
929 |
0.850 |
169 |
896 |
|
|
9 |
Eg |
717 |
625 |
0.873 |
169 |
897 |
|
|
10 |
Eu |
2641 |
2179 |
0.825 |
169 |
898 |
|
|
11 |
Eu |
1099 |
940 |
0.855 |
169 |
899 |
|
|
12 |
Eu |
482 |
379 |
0.787 |
169 |
900 |
C2H5N |
Aziridine |
1 |
A' |
3463 |
3338 |
0.964 |
170 |
901 |
|
|
2 |
A' |
3353 |
3079 |
0.918 |
170 |
902 |
|
|
3 |
A' |
3306 |
3015 |
0.912 |
170 |
903 |
|
|
4 |
A' |
1593 |
1482 |
0.930 |
170 |
904 |
|
|
5 |
A' |
1406 |
1237 |
0.880 |
170 |
905 |
|
|
6 |
A' |
1286 |
1211 |
0.941 |
170 |
906 |
|
|
7 |
A' |
1160 |
1090 |
0.940 |
170 |
907 |
|
|
8 |
A' |
1028 |
998 |
0.971 |
170 |
908 |
|
|
9 |
A' |
924 |
856 |
0.927 |
170 |
909 |
|
|
10 |
A' |
820 |
773 |
0.943 |
170 |
910 |
|
|
11 |
A" |
3453 |
3079 |
0.892 |
170 |
911 |
|
|
12 |
A" |
3301 |
3015 |
0.913 |
170 |
912 |
|
|
13 |
A" |
1568 |
1463 |
0.933 |
170 |
913 |
|
|
14 |
A" |
1329 |
1268 |
0.954 |
170 |
914 |
|
|
15 |
A" |
1206 |
1131 |
0.938 |
170 |
915 |
|
|
16 |
A" |
1135 |
1095 |
0.965 |
170 |
916 |
|
|
17 |
A" |
942 |
904 |
0.960 |
170 |
917 |
|
|
18 |
A" |
892 |
817 |
0.916 |
170 |
918 |
CH3COOH |
Acetic acid |
1 |
A' |
3543 |
3583 |
1.011 |
171 |
919 |
|
|
2 |
A' |
3432 |
3051 |
0.889 |
171 |
920 |
|
|
3 |
A' |
3247 |
2944 |
0.907 |
171 |
921 |
|
|
4 |
A' |
1843 |
1788 |
0.970 |
171 |
922 |
|
|
5 |
A' |
1617 |
1430 |
0.884 |
171 |
923 |
|
|
6 |
A' |
1488 |
1382 |
0.929 |
171 |
924 |
|
|
7 |
A' |
1412 |
1264 |
0.895 |
171 |
925 |
|
|
8 |
A' |
1234 |
1182 |
0.958 |
171 |
926 |
|
|
9 |
A' |
1009 |
989 |
0.980 |
171 |
927 |
|
|
10 |
A' |
837 |
847 |
1.011 |
171 |
928 |
|
|
11 |
A' |
492 |
657 |
1.335 |
171 |
929 |
|
|
12 |
A' |
377 |
|
|
171 |
930 |
|
|
13 |
A" |
3408 |
2996 |
0.879 |
171 |
931 |
|
|
14 |
A" |
1616 |
1430 |
0.885 |
171 |
932 |
|
|
15 |
A" |
1071 |
1048 |
0.978 |
171 |
933 |
|
|
16 |
A" |
666 |
642 |
0.964 |
171 |
934 |
|
|
17 |
A" |
503 |
534 |
1.062 |
171 |
935 |
|
|
18 |
A" |
37 |
93 |
2.502 |
171 |
936 |
CH3OCHO |
methyl formate |
1 |
A' |
3395 |
3045 |
0.897 |
172 |
937 |
|
|
2 |
A' |
3196 |
2969 |
0.929 |
172 |
938 |
|
|
3 |
A' |
3146 |
2943 |
0.935 |
172 |
939 |
|
|
4 |
A' |
1816 |
1754 |
0.966 |
172 |
940 |
|
|
5 |
A' |
1606 |
1454 |
0.906 |
172 |
941 |
|
|
6 |
A' |
1507 |
1445 |
0.959 |
172 |
942 |
|
|
7 |
A' |
1386 |
1371 |
0.989 |
172 |
943 |
|
|
8 |
A' |
1178 |
1207 |
1.025 |
172 |
944 |
|
|
9 |
A' |
1158 |
1166 |
1.007 |
172 |
945 |
|
|
10 |
A' |
951 |
925 |
0.973 |
172 |
946 |
|
|
11 |
A' |
705 |
767 |
1.088 |
172 |
947 |
|
|
12 |
A' |
284 |
318 |
1.122 |
172 |
948 |
|
|
13 |
A" |
3350 |
3012 |
0.899 |
172 |
949 |
|
|
14 |
A" |
1588 |
1443 |
0.909 |
172 |
950 |
|
|
15 |
A" |
1140 |
1168 |
1.025 |
172 |
951 |
|
|
16 |
A" |
896 |
1032 |
1.151 |
172 |
952 |
|
|
17 |
A" |
337 |
332 |
0.985 |
172 |
953 |
|
|
18 |
A" |
62 |
130 |
2.091 |
172 |
954 |
C3H3NO |
Isoxazole |
1 |
A' |
3462 |
3160 |
0.913 |
173 |
955 |
|
|
2 |
A' |
3420 |
3128 |
0.915 |
173 |
956 |
|
|
3 |
A' |
3414 |
3086 |
0.904 |
173 |
957 |
|
|
4 |
A' |
1611 |
1561 |
0.969 |
173 |
958 |
|
|
5 |
A' |
1459 |
1433 |
0.982 |
173 |
959 |
|
|
6 |
A' |
1397 |
1371 |
0.981 |
173 |
960 |
|
|
7 |
A' |
1217 |
1218 |
1.001 |
173 |
961 |
|
|
8 |
A' |
1149 |
1130 |
0.983 |
173 |
962 |
|
|
9 |
A' |
1118 |
1096 |
0.980 |
173 |
963 |
|
|
10 |
A' |
1069 |
1024 |
0.958 |
173 |
964 |
|
|
11 |
A' |
976 |
920 |
0.943 |
173 |
965 |
|
|
12 |
A' |
900 |
900 |
1.000 |
173 |
966 |
|
|
13 |
A' |
880 |
857 |
0.974 |
173 |
967 |
|
|
14 |
A" |
877 |
890 |
1.014 |
173 |
968 |
|
|
15 |
A" |
835 |
866 |
1.037 |
173 |
969 |
|
|
16 |
A" |
756 |
765 |
1.012 |
173 |
970 |
|
|
17 |
A" |
609 |
631 |
1.036 |
173 |
971 |
|
|
18 |
A" |
570 |
592 |
1.038 |
173 |
972 |
C3H3NO |
Oxazole |
1 |
A' |
3457 |
3170 |
0.917 |
174 |
973 |
|
|
2 |
A' |
3424 |
3144 |
0.918 |
174 |
974 |
|
|
3 |
A' |
3422 |
3141 |
0.918 |
174 |
975 |
|
|
4 |
A' |
1584 |
1537 |
0.971 |
174 |
976 |
|
|
5 |
A' |
1506 |
1504 |
0.999 |
174 |
977 |
|
|
6 |
A' |
1348 |
1324 |
0.982 |
174 |
978 |
|
|
7 |
A' |
1242 |
1252 |
1.008 |
174 |
979 |
|
|
8 |
A' |
1180 |
1139 |
0.965 |
174 |
980 |
|
|
9 |
A' |
1120 |
1086 |
0.970 |
174 |
981 |
|
|
10 |
A' |
1093 |
1078 |
0.987 |
174 |
982 |
|
|
11 |
A' |
1052 |
1046 |
0.994 |
174 |
983 |
|
|
12 |
A' |
893 |
899 |
1.007 |
174 |
984 |
|
|
13 |
A' |
880 |
854 |
0.971 |
174 |
985 |
|
|
14 |
A" |
856 |
907 |
1.060 |
174 |
986 |
|
|
15 |
A" |
766 |
830 |
1.083 |
174 |
987 |
|
|
16 |
A" |
742 |
750 |
1.011 |
174 |
988 |
|
|
17 |
A" |
620 |
647 |
1.043 |
174 |
989 |
|
|
18 |
A" |
590 |
607 |
1.028 |
174 |
990 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3247 |
2974 |
0.916 |
175 |
991 |
|
|
2 |
A1 |
1476 |
1412 |
0.957 |
175 |
992 |
|
|
3 |
A1 |
1170 |
1278 |
1.092 |
175 |
993 |
|
|
4 |
A1 |
793 |
828 |
1.044 |
175 |
994 |
|
|
5 |
A1 |
516 |
606 |
1.175 |
175 |
995 |
|
|
6 |
A2 |
133 |
225 |
1.694 |
175 |
996 |
|
|
7 |
E |
3426 |
3042 |
0.888 |
175 |
997 |
|
|
8 |
E |
1619 |
1450 |
0.896 |
175 |
998 |
|
|
9 |
E |
1305 |
1230 |
0.942 |
175 |
999 |
|
|
10 |
E |
979 |
964 |
0.985 |
175 |
1000 |
|
|
11 |
E |
465 |
540 |
1.162 |
175 |
1001 |
|
|
12 |
E |
310 |
365 |
1.179 |
175 |
1002 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3415 |
2967 |
0.869 |
176 |
1003 |
|
|
2 |
A' |
3277 |
2946 |
0.899 |
176 |
1004 |
|
|
3 |
A' |
3254 |
2881 |
0.886 |
176 |
1005 |
|
|
4 |
A' |
1635 |
1463 |
0.895 |
176 |
1006 |
|
|
5 |
A' |
1588 |
1448 |
0.912 |
176 |
1007 |
|
|
6 |
A' |
1520 |
1385 |
0.911 |
176 |
1008 |
|
|
7 |
A' |
1377 |
1289 |
0.936 |
176 |
1009 |
|
|
8 |
A' |
1137 |
1081 |
0.950 |
176 |
1010 |
|
|
9 |
A' |
1048 |
974 |
0.929 |
176 |
1011 |
|
|
10 |
A' |
751 |
677 |
0.901 |
176 |
1012 |
|
|
11 |
A' |
322 |
336 |
1.042 |
176 |
1013 |
|
|
12 |
A" |
3436 |
3014 |
0.877 |
176 |
1014 |
|
|
13 |
A" |
3393 |
2986 |
0.880 |
176 |
1015 |
|
|
14 |
A" |
1621 |
1448 |
0.893 |
176 |
1016 |
|
|
15 |
A" |
1327 |
1251 |
0.943 |
176 |
1017 |
|
|
16 |
A" |
1114 |
974 |
0.874 |
176 |
1018 |
|
|
17 |
A" |
818 |
786 |
0.961 |
176 |
1019 |
|
|
18 |
A" |
230 |
251 |
1.091 |
176 |
1020 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3283 |
2957 |
0.901 |
177 |
1021 |
|
|
1 |
A |
3386 |
3005 |
0.887 |
177 |
1022 |
|
|
2 |
A |
3270 |
2957 |
0.904 |
177 |
1023 |
|
|
2 |
Ag |
1573 |
1445 |
0.919 |
177 |
1024 |
|
|
3 |
Ag |
1376 |
1304 |
0.948 |
177 |
1025 |
|
|
3 |
A |
1560 |
1433 |
0.919 |
177 |
1026 |
|
|
4 |
A |
1386 |
1315 |
0.949 |
177 |
1027 |
|
|
4 |
Ag |
1089 |
1052 |
0.966 |
177 |
1028 |
|
|
5 |
Ag |
833 |
754 |
0.905 |
177 |
1029 |
|
|
5 |
A |
1250 |
1207 |
0.966 |
177 |
1030 |
|
|
6 |
A |
1079 |
1027 |
0.952 |
177 |
1031 |
|
|
6 |
Ag |
293 |
300 |
1.025 |
177 |
1032 |
|
|
7 |
Au |
3415 |
3005 |
0.880 |
177 |
1033 |
|
|
7 |
A |
985 |
948 |
0.963 |
177 |
1034 |
|
|
8 |
A |
729 |
669 |
0.918 |
177 |
1035 |
|
|
8 |
Au |
1164 |
1123 |
0.964 |
177 |
1036 |
|
|
9 |
Au |
790 |
773 |
0.979 |
177 |
1037 |
|
|
9 |
A |
239 |
272 |
1.136 |
177 |
1038 |
|
|
10 |
A |
92 |
125 |
1.355 |
177 |
1039 |
|
|
10 |
Au |
101 |
123 |
1.213 |
177 |
1040 |
|
|
11 |
Bg |
3400 |
3005 |
0.884 |
177 |
1041 |
|
|
11 |
B |
3395 |
3005 |
0.885 |
177 |
1042 |
|
|
12 |
B |
3267 |
2957 |
0.905 |
177 |
1043 |
|
|
12 |
Bg |
1328 |
1264 |
0.952 |
177 |
1044 |
|
|
13 |
Bg |
1017 |
989 |
0.973 |
177 |
1045 |
|
|
13 |
B |
1553 |
1436 |
0.925 |
177 |
1046 |
|
|
14 |
B |
1364 |
1292 |
0.947 |
177 |
1047 |
|
|
14 |
Bu |
3290 |
2983 |
0.907 |
177 |
1048 |
|
|
15 |
Bu |
1579 |
1461 |
0.925 |
177 |
1049 |
|
|
15 |
B |
1188 |
1146 |
0.965 |
177 |
1050 |
|
|
16 |
B |
927 |
890 |
0.961 |
177 |
1051 |
|
|
16 |
Bu |
1286 |
1232 |
0.958 |
177 |
1052 |
|
|
17 |
Bu |
813 |
728 |
0.895 |
177 |
1053 |
|
|
17 |
B |
756 |
693 |
0.917 |
177 |
1054 |
|
|
18 |
B |
397 |
410 |
1.033 |
177 |
1055 |
|
|
18 |
Bu |
200 |
222 |
1.113 |
177 |
1056 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3254 |
2951 |
0.907 |
178 |
1057 |
|
|
2 |
A1 |
1489 |
1386 |
0.931 |
178 |
1058 |
|
|
3 |
A1 |
1125 |
1075 |
0.955 |
178 |
1059 |
|
|
4 |
A1 |
525 |
526 |
1.002 |
178 |
1060 |
|
|
5 |
A1 |
326 |
344 |
1.056 |
178 |
1061 |
|
|
6 |
A2 |
240 |
214 |
0.891 |
178 |
1062 |
|
|
7 |
E |
3428 |
3014 |
0.879 |
178 |
1063 |
|
|
8 |
E |
1588 |
1457 |
0.917 |
178 |
1064 |
|
|
9 |
E |
1155 |
1088 |
0.942 |
178 |
1065 |
|
|
10 |
E |
778 |
724 |
0.931 |
178 |
1066 |
|
|
11 |
E |
321 |
351 |
1.094 |
178 |
1067 |
|
|
12 |
E |
218 |
239 |
1.097 |
178 |
1068 |
C3H6 |
Cyclopropane |
1 |
A1' |
3344 |
3038 |
0.908 |
179 |
1069 |
|
|
2 |
A1' |
1611 |
1479 |
0.918 |
179 |
1070 |
|
|
3 |
A1' |
1289 |
1188 |
0.921 |
179 |
1071 |
|
|
4 |
A1" |
1220 |
1126 |
0.923 |
179 |
1072 |
|
|
5 |
A2' |
1164 |
1070 |
0.919 |
179 |
1073 |
|
|
6 |
A2" |
3491 |
3103 |
0.889 |
179 |
1074 |
|
|
7 |
A2" |
872 |
854 |
0.980 |
179 |
1075 |
|
|
8 |
E' |
3333 |
3025 |
0.908 |
179 |
1076 |
|
|
9 |
E' |
1565 |
1438 |
0.919 |
179 |
1077 |
|
|
10 |
E' |
1174 |
1029 |
0.876 |
179 |
1078 |
|
|
11 |
E' |
975 |
866 |
0.888 |
179 |
1079 |
|
|
12 |
E" |
3481 |
3082 |
0.885 |
179 |
1080 |
|
|
13 |
E" |
1269 |
1188 |
0.936 |
179 |
1081 |
|
|
14 |
E" |
785 |
739 |
0.941 |
179 |
1082 |
CH2CHCH3 |
Propene |
1 |
A' |
3481 |
3090 |
0.888 |
180 |
1083 |
|
|
2 |
A' |
3418 |
3013 |
0.882 |
180 |
1084 |
|
|
3 |
A' |
3369 |
2991 |
0.888 |
180 |
1085 |
|
|
4 |
A' |
3328 |
2954 |
0.888 |
180 |
1086 |
|
|
5 |
A' |
3232 |
2871 |
0.888 |
180 |
1087 |
|
|
6 |
A' |
1817 |
1650 |
0.908 |
180 |
1088 |
|
|
7 |
A' |
1636 |
1470 |
0.899 |
180 |
1089 |
|
|
8 |
A' |
1544 |
1420 |
0.920 |
180 |
1090 |
|
|
9 |
A' |
1517 |
1378 |
0.908 |
180 |
1091 |
|
|
10 |
A' |
1381 |
1297 |
0.939 |
180 |
1092 |
|
|
11 |
A' |
1245 |
1171 |
0.941 |
180 |
1093 |
|
|
12 |
A' |
995 |
963 |
0.968 |
180 |
1094 |
|
|
13 |
A' |
970 |
920 |
0.949 |
180 |
1095 |
|
|
14 |
A' |
425 |
428 |
1.007 |
180 |
1096 |
|
|
15 |
A" |
3376 |
2954 |
0.875 |
180 |
1097 |
|
|
16 |
A" |
1628 |
1443 |
0.886 |
180 |
1098 |
|
|
17 |
A" |
1124 |
1045 |
0.930 |
180 |
1099 |
|
|
18 |
A" |
1080 |
991 |
0.918 |
180 |
1100 |
|
|
19 |
A" |
953 |
912 |
0.957 |
180 |
1101 |
|
|
20 |
A" |
596 |
578 |
0.970 |
180 |
1102 |
|
|
21 |
A" |
180 |
174 |
0.967 |
180 |
1103 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3675 |
3523 |
0.959 |
181 |
1104 |
|
|
2 |
A' |
3466 |
3155 |
0.910 |
181 |
1105 |
|
|
3 |
A' |
3433 |
3137 |
0.914 |
181 |
1106 |
|
|
4 |
A' |
3427 |
3126 |
0.912 |
181 |
1107 |
|
|
5 |
A' |
1607 |
1531 |
0.953 |
181 |
1108 |
|
|
6 |
A' |
1513 |
1447 |
0.956 |
181 |
1109 |
|
|
7 |
A' |
1466 |
1395 |
0.952 |
181 |
1110 |
|
|
8 |
A' |
1373 |
1358 |
0.989 |
181 |
1111 |
|
|
9 |
A' |
1233 |
1254 |
1.017 |
181 |
1112 |
|
|
10 |
A' |
1170 |
1159 |
0.990 |
181 |
1113 |
|
|
11 |
A' |
1133 |
1121 |
0.990 |
181 |
1114 |
|
|
12 |
A' |
1082 |
1054 |
0.974 |
181 |
1115 |
|
|
13 |
A' |
1022 |
1009 |
0.987 |
181 |
1116 |
|
|
14 |
A' |
910 |
924 |
1.015 |
181 |
1117 |
|
|
15 |
A' |
903 |
908 |
1.005 |
181 |
1118 |
|
|
16 |
A" |
884 |
879 |
0.994 |
181 |
1119 |
|
|
17 |
A" |
832 |
833 |
1.001 |
181 |
1120 |
|
|
18 |
A" |
743 |
745 |
1.003 |
181 |
1121 |
|
|
19 |
A" |
644 |
674 |
1.046 |
181 |
1122 |
|
|
20 |
A" |
624 |
623 |
0.998 |
181 |
1123 |
|
|
21 |
A" |
393 |
516 |
1.314 |
181 |
1124 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3654 |
3517 |
0.962 |
182 |
1125 |
|
|
2 |
A' |
3458 |
3143 |
0.909 |
182 |
1126 |
|
|
3 |
A' |
3429 |
3123 |
0.911 |
182 |
1127 |
|
|
4 |
A' |
3427 |
3110 |
0.908 |
182 |
1128 |
|
|
5 |
A' |
1586 |
1448 |
0.913 |
182 |
1129 |
|
|
6 |
A' |
1527 |
1404 |
0.919 |
182 |
1130 |
|
|
7 |
A' |
1474 |
1328 |
0.901 |
182 |
1131 |
|
|
8 |
A' |
1361 |
1265 |
0.929 |
182 |
1132 |
|
|
9 |
A' |
1249 |
1188 |
0.951 |
182 |
1133 |
|
|
10 |
A' |
1155 |
1098 |
0.950 |
182 |
1134 |
|
|
11 |
A' |
1136 |
1062 |
0.935 |
182 |
1135 |
|
|
12 |
A' |
1095 |
1013 |
0.925 |
182 |
1136 |
|
|
13 |
A' |
1066 |
988 |
0.927 |
182 |
1137 |
|
|
14 |
A' |
918 |
923 |
1.005 |
182 |
1138 |
|
|
15 |
A' |
880 |
898 |
1.020 |
182 |
1139 |
|
|
16 |
A" |
858 |
831 |
0.968 |
182 |
1140 |
|
|
17 |
A" |
766 |
758 |
0.990 |
182 |
1141 |
|
|
18 |
A" |
731 |
674 |
0.922 |
182 |
1142 |
|
|
19 |
A" |
638 |
663 |
1.039 |
182 |
1143 |
|
|
20 |
A" |
621 |
621 |
1.000 |
182 |
1144 |
|
|
21 |
A" |
448 |
539 |
1.202 |
182 |
1145 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3349 |
3042 |
0.908 |
183 |
1146 |
|
|
2 |
A1' |
1102 |
1132 |
1.028 |
183 |
1147 |
|
|
3 |
A1' |
918 |
992 |
1.081 |
183 |
1148 |
|
|
4 |
A2' |
1375 |
1278 |
0.929 |
183 |
1149 |
|
|
5 |
A2' |
1026 |
1068 |
1.041 |
183 |
1150 |
|
|
6 |
A2" |
831 |
925 |
1.114 |
183 |
1151 |
|
|
7 |
A2" |
754 |
737 |
0.977 |
183 |
1152 |
|
|
8 |
E' |
3345 |
3056 |
0.914 |
183 |
1153 |
|
|
9 |
E' |
1519 |
1555 |
1.024 |
183 |
1154 |
|
|
10 |
E' |
1360 |
1410 |
1.037 |
183 |
1155 |
|
|
11 |
E' |
1120 |
1176 |
1.050 |
183 |
1156 |
|
|
12 |
E' |
641 |
657 |
1.025 |
183 |
1157 |
|
|
13 |
E" |
964 |
830 |
0.861 |
183 |
1158 |
|
|
14 |
E" |
294 |
340 |
1.155 |
183 |
1159 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3365 |
2996 |
0.890 |
184 |
1160 |
|
|
2 |
A1 |
3143 |
2817 |
0.896 |
184 |
1161 |
|
|
3 |
A1 |
1641 |
1464 |
0.892 |
184 |
1162 |
|
|
4 |
A1 |
1566 |
1452 |
0.927 |
184 |
1163 |
|
|
5 |
A1 |
1297 |
1244 |
0.959 |
184 |
1164 |
|
|
6 |
A1 |
951 |
928 |
0.975 |
184 |
1165 |
|
|
7 |
A1 |
444 |
418 |
0.941 |
184 |
1166 |
|
|
8 |
A2 |
3273 |
2952 |
0.902 |
184 |
1167 |
|
|
9 |
A2 |
1605 |
1464 |
0.912 |
184 |
1168 |
|
|
10 |
A2 |
1146 |
1150 |
1.004 |
184 |
1169 |
|
|
11 |
A2 |
245 |
203 |
0.830 |
184 |
1170 |
|
|
12 |
B1 |
3266 |
2925 |
0.896 |
184 |
1171 |
|
|
13 |
B1 |
1603 |
1464 |
0.913 |
184 |
1172 |
|
|
14 |
B1 |
1162 |
1179 |
1.015 |
184 |
1173 |
|
|
15 |
B1 |
266 |
242 |
0.909 |
184 |
1174 |
|
|
16 |
B2 |
3362 |
2996 |
0.891 |
184 |
1175 |
|
|
17 |
B2 |
3139 |
2817 |
0.898 |
184 |
1176 |
|
|
18 |
B2 |
1634 |
1464 |
0.896 |
184 |
1177 |
|
|
19 |
B2 |
1527 |
1452 |
0.951 |
184 |
1178 |
|
|
20 |
B2 |
1173 |
1227 |
1.046 |
184 |
1179 |
|
|
21 |
B2 |
1134 |
1102 |
0.972 |
184 |
1180 |
C4H4O |
Furan |
1 |
A1 |
3467 |
3161 |
0.912 |
185 |
1181 |
|
|
2 |
A1 |
3431 |
3140 |
0.915 |
185 |
1182 |
|
|
3 |
A1 |
1566 |
1491 |
0.952 |
185 |
1183 |
|
|
4 |
A1 |
1471 |
1384 |
0.941 |
185 |
1184 |
|
|
5 |
A1 |
1182 |
1140 |
0.964 |
185 |
1185 |
|
|
6 |
A1 |
1113 |
1066 |
0.958 |
185 |
1186 |
|
|
7 |
A1 |
1033 |
995 |
0.963 |
185 |
1187 |
|
|
8 |
A1 |
878 |
871 |
0.992 |
185 |
1188 |
|
|
9 |
A2 |
890 |
838 |
0.941 |
185 |
1189 |
|
|
10 |
A2 |
720 |
728 |
1.011 |
185 |
1190 |
|
|
11 |
A2 |
612 |
603 |
0.985 |
185 |
1191 |
|
|
12 |
B1 |
849 |
863 |
1.017 |
185 |
1192 |
|
|
13 |
B1 |
745 |
745 |
1.000 |
185 |
1193 |
|
|
14 |
B1 |
592 |
613 |
1.035 |
185 |
1194 |
|
|
15 |
B2 |
3450 |
3154 |
0.914 |
185 |
1195 |
|
|
16 |
B2 |
3423 |
3129 |
0.914 |
185 |
1196 |
|
|
17 |
B2 |
1652 |
1556 |
0.942 |
185 |
1197 |
|
|
18 |
B2 |
1323 |
1267 |
0.958 |
185 |
1198 |
|
|
19 |
B2 |
1226 |
1180 |
0.962 |
185 |
1199 |
|
|
20 |
B2 |
1097 |
1040 |
0.948 |
185 |
1200 |
|
|
21 |
B2 |
891 |
873 |
0.979 |
185 |
1201 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3284 |
3001 |
0.914 |
186 |
1202 |
|
|
2 |
A' |
3235 |
2935 |
0.907 |
186 |
1203 |
|
|
3 |
A' |
1926 |
1882 |
0.977 |
186 |
1204 |
|
|
4 |
A' |
1606 |
1475 |
0.919 |
186 |
1205 |
|
|
5 |
A' |
1574 |
1427 |
0.906 |
186 |
1206 |
|
|
6 |
A' |
1362 |
1319 |
0.968 |
186 |
1207 |
|
|
7 |
A' |
1280 |
1199 |
0.936 |
186 |
1208 |
|
|
8 |
A' |
1072 |
1093 |
1.019 |
186 |
1209 |
|
|
9 |
A' |
1060 |
1005 |
0.948 |
186 |
1210 |
|
|
10 |
A' |
1030 |
924 |
0.897 |
186 |
1211 |
|
|
11 |
A' |
899 |
891 |
0.991 |
186 |
1212 |
|
|
12 |
A' |
729 |
746 |
1.023 |
186 |
1213 |
|
|
13 |
A' |
448 |
513 |
1.145 |
186 |
1214 |
|
|
14 |
A" |
3408 |
3028 |
0.889 |
186 |
1215 |
|
|
15 |
A" |
3350 |
3000 |
0.895 |
186 |
1216 |
|
|
16 |
A" |
1244 |
1184 |
0.952 |
186 |
1217 |
|
|
17 |
A" |
1135 |
1139 |
1.003 |
186 |
1218 |
|
|
18 |
A" |
1045 |
1046 |
1.001 |
186 |
1219 |
|
|
19 |
A" |
823 |
790 |
0.960 |
186 |
1220 |
|
|
20 |
A" |
468 |
490 |
1.047 |
186 |
1221 |
|
|
21 |
A" |
187 |
113 |
0.606 |
186 |
1222 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3414 |
2966 |
0.869 |
187 |
1223 |
|
|
1 |
A |
3417 |
2980 |
0.872 |
187 |
1224 |
|
|
2 |
A |
3405 |
2967 |
0.871 |
187 |
1225 |
|
|
2 |
A' |
3249 |
2872 |
0.884 |
187 |
1226 |
|
|
3 |
A' |
3233 |
2872 |
0.888 |
187 |
1227 |
|
|
3 |
A |
3364 |
2930 |
0.871 |
187 |
1228 |
|
|
4 |
A |
3251 |
2902 |
0.893 |
187 |
1229 |
|
|
4 |
A' |
2897 |
2580 |
0.891 |
187 |
1230 |
|
|
5 |
A' |
1656 |
1453 |
0.877 |
187 |
1231 |
|
|
5 |
A |
3241 |
2875 |
0.887 |
187 |
1232 |
|
|
6 |
A |
2891 |
2591 |
0.896 |
187 |
1233 |
|
|
6 |
A' |
1636 |
1453 |
0.888 |
187 |
1234 |
|
|
7 |
A' |
1536 |
1385 |
0.902 |
187 |
1235 |
|
|
7 |
A |
1652 |
1462 |
0.885 |
187 |
1236 |
|
|
8 |
A |
1644 |
1452 |
0.883 |
187 |
1237 |
|
|
8 |
A' |
1406 |
1309 |
0.931 |
187 |
1238 |
|
|
9 |
A' |
1191 |
1097 |
0.921 |
187 |
1239 |
|
|
9 |
A |
1620 |
1437 |
0.887 |
187 |
1240 |
|
|
10 |
A |
1530 |
1377 |
0.900 |
187 |
1241 |
|
|
10 |
A' |
1076 |
978 |
0.909 |
187 |
1242 |
|
|
11 |
A' |
976 |
870 |
0.891 |
187 |
1243 |
|
|
11 |
A |
1416 |
1269 |
0.896 |
187 |
1244 |
|
|
12 |
A |
1368 |
1246 |
0.911 |
187 |
1245 |
|
|
12 |
A' |
780 |
660 |
0.846 |
187 |
1246 |
|
|
13 |
A' |
310 |
332 |
1.071 |
187 |
1247 |
|
|
13 |
A |
1210 |
1093 |
0.903 |
187 |
1248 |
|
|
14 |
A |
1120 |
1051 |
0.938 |
187 |
1249 |
|
|
14 |
A" |
3417 |
2966 |
0.868 |
187 |
1250 |
|
|
15 |
A" |
3335 |
2930 |
0.878 |
187 |
1251 |
|
|
15 |
A |
1055 |
970 |
0.920 |
187 |
1252 |
|
|
16 |
A |
980 |
867 |
0.885 |
187 |
1253 |
|
|
16 |
A" |
1645 |
1453 |
0.883 |
187 |
1254 |
|
|
17 |
A" |
1348 |
1269 |
0.942 |
187 |
1255 |
|
|
17 |
A |
795 |
735 |
0.924 |
187 |
1256 |
|
|
18 |
A |
762 |
658 |
0.863 |
187 |
1257 |
|
|
18 |
A" |
1113 |
1049 |
0.942 |
187 |
1258 |
|
|
19 |
A" |
833 |
745 |
0.894 |
187 |
1259 |
|
|
19 |
A |
333 |
319 |
0.958 |
187 |
1260 |
|
|
20 |
A |
257 |
|
|
187 |
1261 |
|
|
21 |
A |
228 |
|
|
187 |
1262 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3405 |
2997 |
0.880 |
188 |
1263 |
|
|
2 |
A1 |
3211 |
2925 |
0.911 |
188 |
1264 |
|
|
3 |
A1 |
1652 |
1447 |
0.876 |
188 |
1265 |
|
|
4 |
A1 |
1518 |
1337 |
0.881 |
188 |
1266 |
|
|
5 |
A1 |
1118 |
1030 |
0.921 |
188 |
1267 |
|
|
6 |
A1 |
805 |
695 |
0.863 |
188 |
1268 |
|
|
7 |
A1 |
299 |
280 |
0.936 |
188 |
1269 |
|
|
8 |
A2 |
3366 |
2970 |
0.882 |
188 |
1270 |
|
|
9 |
A2 |
1630 |
1427 |
0.875 |
188 |
1271 |
|
|
10 |
A2 |
1028 |
946 |
0.920 |
188 |
1272 |
|
|
11 |
A2 |
183 |
175 |
0.958 |
188 |
1273 |
|
|
12 |
B1 |
3362 |
2970 |
0.883 |
188 |
1274 |
|
|
13 |
B1 |
1631 |
1439 |
0.882 |
188 |
1275 |
|
|
14 |
B1 |
1059 |
973 |
0.918 |
188 |
1276 |
|
|
15 |
B1 |
173 |
183 |
1.058 |
188 |
1277 |
|
|
16 |
B2 |
3404 |
2999 |
0.881 |
188 |
1278 |
|
|
17 |
B2 |
3212 |
2919 |
0.909 |
188 |
1279 |
|
|
18 |
B2 |
1648 |
1442 |
0.875 |
188 |
1280 |
|
|
19 |
B2 |
1488 |
1315 |
0.883 |
188 |
1281 |
|
|
20 |
B2 |
995 |
903 |
0.908 |
188 |
1282 |
|
|
21 |
B2 |
847 |
742 |
0.876 |
188 |
1283 |
C4H4S |
Thiophene |
1 |
A1 |
3448 |
3126 |
0.907 |
189 |
1284 |
|
|
2 |
A1 |
3420 |
3098 |
0.906 |
189 |
1285 |
|
|
3 |
A1 |
1540 |
1409 |
0.915 |
189 |
1286 |
|
|
4 |
A1 |
1485 |
1360 |
0.916 |
189 |
1287 |
|
|
5 |
A1 |
1145 |
1083 |
0.946 |
189 |
1288 |
|
|
6 |
A1 |
1092 |
1036 |
0.949 |
189 |
1289 |
|
|
7 |
A1 |
914 |
872 |
0.954 |
189 |
1290 |
|
|
8 |
A1 |
654 |
608 |
0.930 |
189 |
1291 |
|
|
9 |
A2 |
932 |
867 |
0.930 |
189 |
1292 |
|
|
10 |
A2 |
728 |
688 |
0.945 |
189 |
1293 |
|
|
11 |
A2 |
586 |
567 |
0.967 |
189 |
1294 |
|
|
12 |
B1 |
902 |
839 |
0.930 |
189 |
1295 |
|
|
13 |
B1 |
737 |
712 |
0.966 |
189 |
1296 |
|
|
14 |
B1 |
454 |
452 |
0.997 |
189 |
1297 |
|
|
15 |
B2 |
3438 |
3125 |
0.909 |
189 |
1298 |
|
|
16 |
B2 |
3407 |
3086 |
0.906 |
189 |
1299 |
|
|
17 |
B2 |
1647 |
1504 |
0.913 |
189 |
1300 |
|
|
18 |
B2 |
1330 |
1256 |
0.945 |
189 |
1301 |
|
|
19 |
B2 |
1149 |
1085 |
0.944 |
189 |
1302 |
|
|
20 |
B2 |
936 |
903 |
0.965 |
189 |
1303 |
|
|
21 |
B2 |
799 |
751 |
0.939 |
189 |
1304 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3484 |
3087 |
0.886 |
190 |
1305 |
|
|
2 |
Ag |
3371 |
3003 |
0.891 |
190 |
1306 |
|
|
3 |
Ag |
3331 |
2992 |
0.898 |
190 |
1307 |
|
|
4 |
Ag |
1776 |
1630 |
0.918 |
190 |
1308 |
|
|
5 |
Ag |
1551 |
1438 |
0.927 |
190 |
1309 |
|
|
6 |
Ag |
1369 |
1280 |
0.935 |
190 |
1310 |
|
|
7 |
Ag |
1263 |
1196 |
0.947 |
190 |
1311 |
|
|
8 |
Ag |
928 |
894 |
0.963 |
190 |
1312 |
|
|
9 |
Ag |
513 |
512 |
0.997 |
190 |
1313 |
|
|
10 |
Au |
1101 |
1013 |
0.920 |
190 |
1314 |
|
|
11 |
Au |
933 |
908 |
0.974 |
190 |
1315 |
|
|
12 |
Au |
537 |
522 |
0.972 |
190 |
1316 |
|
|
13 |
Au |
168 |
162 |
0.965 |
190 |
1317 |
|
|
14 |
Bg |
1043 |
976 |
0.936 |
190 |
1318 |
|
|
15 |
Bg |
937 |
912 |
0.973 |
190 |
1319 |
|
|
16 |
Bg |
789 |
770 |
0.976 |
190 |
1320 |
|
|
17 |
Bu |
3484 |
3101 |
0.890 |
190 |
1321 |
|
|
18 |
Bu |
3378 |
3055 |
0.904 |
190 |
1322 |
|
|
19 |
Bu |
3328 |
2984 |
0.897 |
190 |
1323 |
|
|
20 |
Bu |
1742 |
1596 |
0.916 |
190 |
1324 |
|
|
21 |
Bu |
1489 |
1381 |
0.927 |
190 |
1325 |
|
|
22 |
Bu |
1362 |
1294 |
0.950 |
190 |
1326 |
|
|
23 |
Bu |
1037 |
990 |
0.955 |
190 |
1327 |
|
|
24 |
Bu |
294 |
301 |
1.024 |
190 |
1328 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3221 |
2916 |
0.905 |
191 |
1329 |
|
|
2 |
A1' |
2505 |
2240 |
0.894 |
191 |
1330 |
|
|
3 |
A1' |
1525 |
1380 |
0.905 |
191 |
1331 |
|
|
4 |
A1' |
745 |
725 |
0.973 |
191 |
1332 |
|
|
6 |
A2" |
3222 |
2938 |
0.912 |
191 |
1333 |
|
|
7 |
A2" |
1515 |
1382 |
0.912 |
191 |
1334 |
|
|
8 |
A2" |
1218 |
1152 |
0.946 |
191 |
1335 |
|
|
9 |
E' |
3373 |
2973 |
0.881 |
191 |
1336 |
|
|
10 |
E' |
1616 |
1456 |
0.901 |
191 |
1337 |
|
|
11 |
E' |
1124 |
1054 |
0.938 |
191 |
1338 |
|
|
12 |
E' |
203 |
213 |
1.048 |
191 |
1339 |
|
|
13 |
E" |
3373 |
2966 |
0.879 |
191 |
1340 |
|
|
14 |
E" |
1616 |
1448 |
0.896 |
191 |
1341 |
|
|
15 |
E" |
1099 |
1029 |
0.936 |
191 |
1342 |
|
|
16 |
E" |
377 |
371 |
0.984 |
191 |
1343 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3424 |
3061 |
0.894 |
192 |
1344 |
|
|
2 |
A' |
3329 |
3010 |
0.904 |
192 |
1345 |
|
|
3 |
A' |
3292 |
2965 |
0.901 |
192 |
1346 |
|
|
4 |
A' |
3234 |
2905 |
0.898 |
192 |
1347 |
|
|
5 |
A' |
2160 |
1970 |
0.912 |
192 |
1348 |
|
|
6 |
A' |
1637 |
1453 |
0.888 |
192 |
1349 |
|
|
7 |
A' |
1571 |
1437 |
0.915 |
192 |
1350 |
|
|
8 |
A' |
1515 |
1389 |
0.917 |
192 |
1351 |
|
|
9 |
A' |
1435 |
1330 |
0.927 |
192 |
1352 |
|
|
10 |
A' |
1199 |
1132 |
0.944 |
192 |
1353 |
|
|
11 |
A' |
1141 |
1074 |
0.942 |
192 |
1354 |
|
|
12 |
A' |
922 |
876 |
0.950 |
192 |
1355 |
|
|
13 |
A' |
891 |
859 |
0.964 |
192 |
1356 |
|
|
14 |
A' |
568 |
555 |
0.976 |
192 |
1357 |
|
|
15 |
A' |
204 |
210 |
1.030 |
192 |
1358 |
|
|
16 |
A" |
3421 |
3061 |
0.895 |
192 |
1359 |
|
|
17 |
A" |
3380 |
2965 |
0.877 |
192 |
1360 |
|
|
18 |
A" |
1625 |
1453 |
0.894 |
192 |
1361 |
|
|
19 |
A" |
1112 |
1110 |
0.998 |
192 |
1362 |
|
|
20 |
A" |
1068 |
1011 |
0.947 |
192 |
1363 |
|
|
21 |
A" |
929 |
842 |
0.907 |
192 |
1364 |
|
|
22 |
A" |
542 |
523 |
0.965 |
192 |
1365 |
|
|
23 |
A" |
328 |
322 |
0.983 |
192 |
1366 |
C4H6 |
Cyclobutene |
1 |
A1 |
3420 |
3060 |
0.895 |
193 |
1367 |
|
|
2 |
A1 |
3266 |
2935 |
0.899 |
193 |
1368 |
|
|
3 |
A1 |
1734 |
1570 |
0.905 |
193 |
1369 |
|
|
4 |
A1 |
1607 |
1450 |
0.902 |
193 |
1370 |
|
|
5 |
A1 |
1304 |
1276 |
0.978 |
193 |
1371 |
|
|
6 |
A1 |
1191 |
1186 |
0.996 |
193 |
1372 |
|
|
7 |
A1 |
1056 |
1113 |
1.054 |
193 |
1373 |
|
|
8 |
A1 |
978 |
886 |
0.906 |
193 |
1374 |
|
|
9 |
A2 |
3376 |
2955 |
0.875 |
193 |
1375 |
|
|
10 |
A2 |
1231 |
1276 |
1.037 |
193 |
1376 |
|
|
11 |
A2 |
1090 |
1081 |
0.992 |
193 |
1377 |
|
|
12 |
A2 |
948 |
850 |
0.897 |
193 |
1378 |
|
|
13 |
A2 |
328 |
325 |
0.992 |
193 |
1379 |
|
|
14 |
B1 |
3382 |
2955 |
0.874 |
193 |
1380 |
|
|
15 |
B1 |
1154 |
1074 |
0.930 |
193 |
1381 |
|
|
16 |
B1 |
899 |
846 |
0.941 |
193 |
1382 |
|
|
17 |
B1 |
686 |
635 |
0.926 |
193 |
1383 |
|
|
18 |
B2 |
3374 |
3047 |
0.903 |
193 |
1384 |
|
|
19 |
B2 |
3261 |
2916 |
0.894 |
193 |
1385 |
|
|
20 |
B2 |
1596 |
1427 |
0.894 |
193 |
1386 |
|
|
21 |
B2 |
1400 |
1294 |
0.925 |
193 |
1387 |
|
|
22 |
B2 |
1293 |
1214 |
0.939 |
193 |
1388 |
|
|
23 |
B2 |
964 |
888 |
0.921 |
193 |
1389 |
|
|
24 |
B2 |
901 |
740 |
0.822 |
193 |
1390 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3317 |
3010 |
0.908 |
194 |
1391 |
|
|
2 |
A1 |
3307 |
3002 |
0.908 |
194 |
1392 |
|
|
3 |
A1 |
1941 |
1743 |
0.898 |
194 |
1393 |
|
|
4 |
A1 |
1577 |
1437 |
0.911 |
194 |
1394 |
|
|
5 |
A1 |
1531 |
1410 |
0.921 |
194 |
1395 |
|
|
6 |
A1 |
1181 |
1036 |
0.877 |
194 |
1396 |
|
|
7 |
A1 |
1112 |
1002 |
0.901 |
194 |
1397 |
|
|
8 |
A1 |
812 |
723 |
0.890 |
194 |
1398 |
|
|
9 |
A2 |
3442 |
3051 |
0.886 |
194 |
1399 |
|
|
10 |
A2 |
1225 |
1144 |
0.934 |
194 |
1400 |
|
|
11 |
A2 |
1005 |
937 |
0.933 |
194 |
1401 |
|
|
12 |
A2 |
651 |
616 |
0.946 |
194 |
1402 |
|
|
13 |
B1 |
3448 |
3071 |
0.891 |
194 |
1403 |
|
|
14 |
B1 |
1148 |
1072 |
0.934 |
194 |
1404 |
|
|
15 |
B1 |
931 |
889 |
0.955 |
194 |
1405 |
|
|
16 |
B1 |
795 |
748 |
0.941 |
194 |
1406 |
|
|
17 |
B1 |
302 |
360 |
1.191 |
194 |
1407 |
|
|
18 |
B2 |
3461 |
3086 |
0.892 |
194 |
1408 |
|
|
19 |
B2 |
3303 |
2999 |
0.908 |
194 |
1409 |
|
|
20 |
B2 |
1547 |
1353 |
0.875 |
194 |
1410 |
|
|
21 |
B2 |
1222 |
1174 |
0.960 |
194 |
1411 |
|
|
22 |
B2 |
1152 |
1125 |
0.977 |
194 |
1412 |
|
|
23 |
B2 |
962 |
792 |
0.823 |
194 |
1413 |
|
|
24 |
B2 |
358 |
290 |
0.810 |
194 |
1414 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3408 |
3345 |
0.981 |
195 |
1415 |
|
|
2 |
A' |
3345 |
2985 |
0.892 |
195 |
1416 |
|
|
3 |
A' |
3264 |
2840 |
0.870 |
195 |
1417 |
|
|
4 |
A' |
3238 |
2860 |
0.883 |
195 |
1418 |
|
|
5 |
A' |
1826 |
1622 |
0.888 |
195 |
1419 |
|
|
6 |
A' |
1650 |
1487 |
0.901 |
195 |
1420 |
|
|
7 |
A' |
1610 |
1465 |
0.910 |
195 |
1421 |
|
|
8 |
A' |
1526 |
1378 |
0.903 |
195 |
1422 |
|
|
9 |
A' |
1441 |
1397 |
0.969 |
195 |
1423 |
|
|
10 |
A' |
1262 |
1016 |
0.805 |
195 |
1424 |
|
|
11 |
A' |
1095 |
1086 |
0.992 |
195 |
1425 |
|
|
12 |
A' |
1016 |
892 |
0.878 |
195 |
1426 |
|
|
13 |
A' |
901 |
773 |
0.858 |
195 |
1427 |
|
|
14 |
A' |
389 |
403 |
1.037 |
195 |
1428 |
|
|
15 |
A" |
3530 |
3412 |
0.967 |
195 |
1429 |
|
|
16 |
A" |
3410 |
2924 |
0.857 |
195 |
1430 |
|
|
17 |
A" |
3369 |
2906 |
0.863 |
195 |
1431 |
|
|
18 |
A" |
1645 |
1455 |
0.885 |
195 |
1432 |
|
|
19 |
A" |
1487 |
1238 |
0.833 |
195 |
1433 |
|
|
20 |
A" |
1351 |
1293 |
0.957 |
195 |
1434 |
|
|
21 |
A" |
1068 |
1117 |
1.046 |
195 |
1435 |
|
|
22 |
A" |
818 |
816 |
0.998 |
195 |
1436 |
|
|
23 |
A" |
324 |
259 |
0.801 |
195 |
1437 |
|
|
24 |
A" |
224 |
218 |
0.971 |
195 |
1438 |
C4H5N |
Pyrrole |
1 |
A1 |
3704 |
3531 |
0.953 |
196 |
1439 |
|
|
2 |
A1 |
3472 |
3149 |
0.907 |
196 |
1440 |
|
|
3 |
A1 |
3443 |
3128 |
0.909 |
196 |
1441 |
|
|
4 |
A1 |
1574 |
1472 |
0.935 |
196 |
1442 |
|
|
5 |
A1 |
1493 |
1401 |
0.938 |
196 |
1443 |
|
|
6 |
A1 |
1204 |
1148 |
0.954 |
196 |
1444 |
|
|
7 |
A1 |
1127 |
1075 |
0.953 |
196 |
1445 |
|
|
8 |
A1 |
1068 |
1017 |
0.952 |
196 |
1446 |
|
|
9 |
A1 |
898 |
882 |
0.981 |
196 |
1447 |
|
|
10 |
A2 |
899 |
864 |
0.961 |
196 |
1448 |
|
|
11 |
A2 |
698 |
692 |
0.992 |
196 |
1449 |
|
|
12 |
A2 |
628 |
614 |
0.977 |
196 |
1450 |
|
|
13 |
B1 |
849 |
827 |
0.974 |
196 |
1451 |
|
|
14 |
B1 |
733 |
722 |
0.985 |
196 |
1452 |
|
|
15 |
B1 |
630 |
621 |
0.985 |
196 |
1453 |
|
|
16 |
B1 |
403 |
475 |
1.179 |
196 |
1454 |
|
|
17 |
B2 |
3459 |
3143 |
0.909 |
196 |
1455 |
|
|
18 |
B2 |
3432 |
3119 |
0.909 |
196 |
1456 |
|
|
19 |
B2 |
1653 |
1519 |
0.919 |
196 |
1457 |
|
|
20 |
B2 |
1532 |
1424 |
0.930 |
196 |
1458 |
|
|
21 |
B2 |
1331 |
1288 |
0.968 |
196 |
1459 |
|
|
22 |
B2 |
1166 |
1134 |
0.973 |
196 |
1460 |
|
|
23 |
B2 |
1098 |
1049 |
0.955 |
196 |
1461 |
|
|
24 |
B2 |
884 |
866 |
0.979 |
196 |
1462 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3496 |
3120 |
0.892 |
197 |
1463 |
|
|
2 |
A' |
3369 |
3052 |
0.906 |
197 |
1464 |
|
|
3 |
A' |
3344 |
3044 |
0.910 |
197 |
1465 |
|
|
4 |
A' |
2287 |
2264 |
0.990 |
197 |
1466 |
|
|
5 |
A' |
1577 |
1468 |
0.931 |
197 |
1467 |
|
|
6 |
A' |
1420 |
1344 |
0.946 |
197 |
1468 |
|
|
7 |
A' |
1268 |
1195 |
0.943 |
197 |
1469 |
|
|
8 |
A' |
1164 |
1125 |
0.967 |
197 |
1470 |
|
|
9 |
A' |
1161 |
1049 |
0.904 |
197 |
1471 |
|
|
10 |
A' |
1017 |
941 |
0.925 |
197 |
1472 |
|
|
11 |
A' |
827 |
808 |
0.978 |
197 |
1473 |
|
|
12 |
A' |
787 |
736 |
0.935 |
197 |
1474 |
|
|
13 |
A' |
516 |
527 |
1.022 |
197 |
1475 |
|
|
14 |
A' |
207 |
222 |
1.072 |
197 |
1476 |
|
|
15 |
A" |
3490 |
3094 |
0.887 |
197 |
1477 |
|
|
16 |
A" |
3338 |
3040 |
0.911 |
197 |
1478 |
|
|
17 |
A" |
1545 |
1442 |
0.933 |
197 |
1479 |
|
|
18 |
A" |
1248 |
1180 |
0.945 |
197 |
1480 |
|
|
19 |
A" |
1166 |
1070 |
0.917 |
197 |
1481 |
|
|
20 |
A" |
1154 |
1088 |
0.943 |
197 |
1482 |
|
|
21 |
A" |
993 |
880 |
0.886 |
197 |
1483 |
|
|
22 |
A" |
865 |
821 |
0.950 |
197 |
1484 |
|
|
23 |
A" |
531 |
543 |
1.022 |
197 |
1485 |
|
|
24 |
A" |
206 |
222 |
1.078 |
197 |
1486 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3407 |
3063 |
0.899 |
198 |
1487 |
|
|
2 |
A1 |
3363 |
3043 |
0.905 |
198 |
1488 |
|
|
3 |
A1 |
1621 |
1572 |
0.970 |
198 |
1489 |
|
|
4 |
A1 |
1458 |
1414 |
0.970 |
198 |
1490 |
|
|
5 |
A1 |
1195 |
1283 |
1.074 |
198 |
1491 |
|
|
6 |
A1 |
1128 |
1160 |
1.028 |
198 |
1492 |
|
|
7 |
A1 |
1041 |
1063 |
1.021 |
198 |
1493 |
|
|
8 |
A1 |
919 |
964 |
1.049 |
198 |
1494 |
|
|
9 |
A1 |
648 |
619 |
0.956 |
198 |
1495 |
|
|
10 |
A2 |
1011 |
936 |
0.926 |
198 |
1496 |
|
|
11 |
A2 |
919 |
863 |
0.939 |
198 |
1497 |
|
|
12 |
A2 |
735 |
751 |
1.021 |
198 |
1498 |
|
|
13 |
A2 |
331 |
421 |
1.272 |
198 |
1499 |
|
|
14 |
B1 |
959 |
|
|
198 |
1500 |
|
|
15 |
B1 |
739 |
760 |
1.029 |
198 |
1501 |
|
|
16 |
B1 |
320 |
370 |
1.158 |
198 |
1502 |
|
|
17 |
B2 |
3391 |
3075 |
0.907 |
198 |
1503 |
|
|
18 |
B2 |
3359 |
3043 |
0.906 |
198 |
1504 |
|
|
19 |
B2 |
1611 |
1565 |
0.972 |
198 |
1505 |
|
|
20 |
B2 |
1431 |
1444 |
1.009 |
198 |
1506 |
|
|
21 |
B2 |
1259 |
1239 |
0.984 |
198 |
1507 |
|
|
22 |
B2 |
1078 |
1052 |
0.976 |
198 |
1508 |
|
|
23 |
B2 |
1034 |
1009 |
0.976 |
198 |
1509 |
|
|
24 |
B2 |
615 |
664 |
1.080 |
198 |
1510 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3398 |
3082 |
0.907 |
199 |
1511 |
|
|
2 |
A1 |
3358 |
3053 |
0.909 |
199 |
1512 |
|
|
3 |
A1 |
3346 |
3049 |
0.911 |
199 |
1513 |
|
|
4 |
A1 |
1599 |
1572 |
0.983 |
199 |
1514 |
|
|
5 |
A1 |
1363 |
1465 |
1.075 |
199 |
1515 |
|
|
6 |
A1 |
1132 |
1155 |
1.020 |
199 |
1516 |
|
|
7 |
A1 |
1077 |
1065 |
0.988 |
199 |
1517 |
|
|
8 |
A1 |
952 |
969 |
1.018 |
199 |
1518 |
|
|
9 |
A1 |
658 |
679 |
1.032 |
199 |
1519 |
|
|
10 |
A2 |
961 |
960 |
0.999 |
199 |
1520 |
|
|
11 |
A2 |
362 |
398 |
1.099 |
199 |
1521 |
|
|
12 |
B1 |
998 |
1033 |
1.035 |
199 |
1522 |
|
|
13 |
B1 |
935 |
980 |
1.048 |
199 |
1523 |
|
|
14 |
B1 |
766 |
804 |
1.050 |
199 |
1524 |
|
|
15 |
B1 |
745 |
719 |
0.965 |
199 |
1525 |
|
|
16 |
B1 |
323 |
347 |
1.076 |
199 |
1526 |
|
|
17 |
B2 |
3361 |
3047 |
0.907 |
199 |
1527 |
|
|
18 |
B2 |
1590 |
1569 |
0.987 |
199 |
1528 |
|
|
19 |
B2 |
1492 |
1411 |
0.945 |
199 |
1529 |
|
|
20 |
B2 |
1384 |
1356 |
0.980 |
199 |
1530 |
|
|
21 |
B2 |
1227 |
1224 |
0.997 |
199 |
1531 |
|
|
22 |
B2 |
1142 |
1158 |
1.014 |
199 |
1532 |
|
|
23 |
B2 |
1075 |
1071 |
0.996 |
199 |
1533 |
|
|
24 |
B2 |
617 |
621 |
1.006 |
199 |
1534 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3370 |
3055 |
0.907 |
200 |
1535 |
|
|
2 |
Ag |
1603 |
1580 |
0.986 |
200 |
1536 |
|
|
3 |
Ag |
1254 |
1233 |
0.983 |
200 |
1537 |
|
|
4 |
Ag |
1004 |
1016 |
1.012 |
200 |
1538 |
|
|
5 |
Ag |
606 |
602 |
0.993 |
200 |
1539 |
|
|
6 |
Au |
975 |
960 |
0.985 |
200 |
1540 |
|
|
7 |
Au |
304 |
350 |
1.152 |
200 |
1541 |
|
|
8 |
B1g |
917 |
927 |
1.011 |
200 |
1542 |
|
|
9 |
B1u |
3350 |
3012 |
0.899 |
200 |
1543 |
|
|
10 |
B1u |
1508 |
1483 |
0.983 |
200 |
1544 |
|
|
11 |
B1u |
1128 |
1130 |
1.002 |
200 |
1545 |
|
|
12 |
B1u |
1002 |
1018 |
1.016 |
200 |
1546 |
|
|
13 |
B2g |
962 |
983 |
1.022 |
200 |
1547 |
|
|
14 |
B2g |
743 |
756 |
1.017 |
200 |
1548 |
|
|
15 |
B2u |
3365 |
3069 |
0.912 |
200 |
1549 |
|
|
16 |
B2u |
1426 |
1411 |
0.989 |
200 |
1550 |
|
|
17 |
B2u |
1169 |
1149 |
0.983 |
200 |
1551 |
|
|
18 |
B2u |
1077 |
1063 |
0.987 |
200 |
1552 |
|
|
19 |
B3g |
3352 |
3040 |
0.907 |
200 |
1553 |
|
|
20 |
B3g |
1514 |
1525 |
1.008 |
200 |
1554 |
|
|
21 |
B3g |
1345 |
1346 |
1.001 |
200 |
1555 |
|
|
22 |
B3g |
682 |
704 |
1.032 |
200 |
1556 |
|
|
23 |
B3u |
778 |
785 |
1.009 |
200 |
1557 |
|
|
24 |
B3u |
372 |
418 |
1.122 |
200 |
1558 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3559 |
3675 |
1.033 |
201 |
1559 |
|
|
2 |
A |
3480 |
3102 |
0.891 |
201 |
1560 |
|
|
3 |
A |
3378 |
3022 |
0.895 |
201 |
1561 |
|
|
4 |
A |
3328 |
2995 |
0.900 |
201 |
1562 |
|
|
5 |
A |
3218 |
2934 |
0.912 |
201 |
1563 |
|
|
6 |
A |
3120 |
2866 |
0.919 |
201 |
1564 |
|
|
7 |
A |
1804 |
1654 |
0.917 |
201 |
1565 |
|
|
8 |
A |
1626 |
1453 |
0.894 |
201 |
1566 |
|
|
9 |
A |
1567 |
1414 |
0.902 |
201 |
1567 |
|
|
10 |
A |
1520 |
1384 |
0.910 |
201 |
1568 |
|
|
11 |
A |
1370 |
1320 |
0.963 |
201 |
1569 |
|
|
12 |
A |
1329 |
1293 |
0.973 |
201 |
1570 |
|
|
13 |
A |
1259 |
1191 |
0.946 |
201 |
1571 |
|
|
14 |
A |
1171 |
1132 |
0.967 |
201 |
1572 |
|
|
15 |
A |
1101 |
1110 |
1.009 |
201 |
1573 |
|
|
16 |
A |
1070 |
1038 |
0.970 |
201 |
1574 |
|
|
17 |
A |
986 |
995 |
1.009 |
201 |
1575 |
|
|
18 |
A |
959 |
919 |
0.959 |
201 |
1576 |
|
|
19 |
A |
943 |
885 |
0.938 |
201 |
1577 |
|
|
20 |
A |
654 |
606 |
0.927 |
201 |
1578 |
|
|
22 |
A |
316 |
377 |
1.194 |
201 |
1579 |
|
|
23 |
A |
298 |
277 |
0.928 |
201 |
1580 |
|
|
24 |
A |
88 |
188 |
2.140 |
201 |
1581 |
CH3CH2CHO |
Propanal |
1 |
A' |
3421 |
2981 |
0.871 |
202 |
1582 |
|
|
2 |
A' |
3256 |
2904 |
0.892 |
202 |
1583 |
|
|
3 |
A' |
3247 |
2895 |
0.891 |
202 |
1584 |
|
|
4 |
A' |
3044 |
2809 |
0.923 |
202 |
1585 |
|
|
5 |
A' |
1804 |
1743 |
0.966 |
202 |
1586 |
|
|
6 |
A' |
1646 |
1460 |
0.887 |
202 |
1587 |
|
|
7 |
A' |
1601 |
1416 |
0.884 |
202 |
1588 |
|
|
8 |
A' |
1531 |
1390 |
0.908 |
202 |
1589 |
|
|
9 |
A' |
1443 |
1376 |
0.953 |
202 |
1590 |
|
|
10 |
A' |
1413 |
1335 |
0.945 |
202 |
1591 |
|
|
11 |
A' |
1158 |
1093 |
0.944 |
202 |
1592 |
|
|
12 |
A' |
1057 |
993 |
0.939 |
202 |
1593 |
|
|
13 |
A' |
867 |
848 |
0.978 |
202 |
1594 |
|
|
14 |
A' |
650 |
668 |
1.027 |
202 |
1595 |
|
|
15 |
A' |
227 |
271 |
1.196 |
202 |
1596 |
|
|
16 |
A" |
3423 |
2992 |
0.874 |
202 |
1597 |
|
|
17 |
A" |
3345 |
2942 |
0.880 |
202 |
1598 |
|
|
18 |
A" |
1640 |
1451 |
0.885 |
202 |
1599 |
|
|
19 |
A" |
1341 |
1250 |
0.932 |
202 |
1600 |
|
|
20 |
A" |
1152 |
1118 |
0.971 |
202 |
1601 |
|
|
21 |
A" |
893 |
892 |
0.999 |
202 |
1602 |
|
|
22 |
A" |
708 |
660 |
0.932 |
202 |
1603 |
|
|
23 |
A" |
200 |
220 |
1.100 |
202 |
1604 |
|
|
24 |
A" |
87 |
135 |
1.552 |
202 |
1605 |
C3H6O |
Oxetane |
1 |
A1 |
3298 |
2959 |
0.897 |
203 |
1606 |
|
|
2 |
A1 |
3190 |
2930 |
0.919 |
203 |
1607 |
|
|
3 |
A1 |
1638 |
1473 |
0.899 |
203 |
1608 |
|
|
4 |
A1 |
1604 |
1461 |
0.911 |
203 |
1609 |
|
|
5 |
A1 |
1420 |
1342 |
0.945 |
203 |
1610 |
|
|
6 |
A1 |
1095 |
1134 |
1.035 |
203 |
1611 |
|
|
7 |
A1 |
977 |
1018 |
1.042 |
203 |
1612 |
|
|
8 |
A1 |
818 |
908 |
1.111 |
203 |
1613 |
|
|
9 |
A2 |
3286 |
3000 |
0.913 |
203 |
1614 |
|
|
10 |
A2 |
1278 |
1283 |
1.004 |
203 |
1615 |
|
|
11 |
A2 |
1147 |
1185 |
1.033 |
203 |
1616 |
|
|
12 |
A2 |
870 |
986 |
1.134 |
203 |
1617 |
|
|
13 |
B1 |
3422 |
3007 |
0.879 |
203 |
1618 |
|
|
14 |
B1 |
3288 |
2940 |
0.894 |
203 |
1619 |
|
|
15 |
B1 |
1234 |
1225 |
0.992 |
203 |
1620 |
|
|
16 |
B1 |
1111 |
1142 |
1.028 |
203 |
1621 |
|
|
17 |
B1 |
794 |
836 |
1.053 |
203 |
1622 |
|
|
18 |
B1 |
102 |
90 |
0.880 |
203 |
1623 |
|
|
19 |
B2 |
3181 |
2966 |
0.933 |
203 |
1624 |
|
|
20 |
B2 |
1613 |
1508 |
0.935 |
203 |
1625 |
|
|
21 |
B2 |
1345 |
1458 |
1.084 |
203 |
1626 |
|
|
22 |
B2 |
1320 |
1363 |
1.033 |
203 |
1627 |
|
|
23 |
B2 |
1111 |
1228 |
1.106 |
203 |
1628 |
|
|
24 |
B2 |
1021 |
936 |
0.916 |
203 |
1629 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3380 |
3018 |
0.893 |
204 |
1630 |
|
|
2 |
A |
3303 |
2985 |
0.904 |
204 |
1631 |
|
|
3 |
A |
3299 |
2958 |
0.897 |
204 |
1632 |
|
|
4 |
A |
3163 |
2945 |
0.931 |
204 |
1633 |
|
|
5 |
A |
3159 |
2922 |
0.925 |
204 |
1634 |
|
|
6 |
A |
2264 |
2245 |
0.992 |
204 |
1635 |
|
|
7 |
A |
1624 |
1472 |
0.906 |
204 |
1636 |
|
|
8 |
A |
1596 |
1452 |
0.910 |
204 |
1637 |
|
|
9 |
A |
1551 |
1439 |
0.928 |
204 |
1638 |
|
|
10 |
A |
1534 |
1431 |
0.933 |
204 |
1639 |
|
|
11 |
A |
1391 |
1368 |
0.983 |
204 |
1640 |
|
|
12 |
A |
1318 |
1287 |
0.976 |
204 |
1641 |
|
|
13 |
A |
1205 |
1199 |
0.995 |
204 |
1642 |
|
|
14 |
A |
1150 |
1161 |
1.010 |
204 |
1643 |
|
|
15 |
A |
1143 |
1127 |
0.986 |
204 |
1644 |
|
|
16 |
A |
1029 |
1016 |
0.987 |
204 |
1645 |
|
|
17 |
A |
934 |
925 |
0.990 |
204 |
1646 |
|
|
18 |
A |
871 |
890 |
1.022 |
204 |
1647 |
|
|
19 |
A |
576 |
586 |
1.017 |
204 |
1648 |
|
|
20 |
A |
409 |
404 |
0.989 |
204 |
1649 |
|
|
21 |
A |
336 |
347 |
1.033 |
204 |
1650 |
|
|
22 |
A |
248 |
243 |
0.980 |
204 |
1651 |
|
|
23 |
A |
165 |
170 |
1.027 |
204 |
1652 |
|
|
24 |
A |
116 |
113 |
0.972 |
204 |
1653 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3398 |
2990 |
0.880 |
205 |
1654 |
|
|
2 |
A |
3376 |
2983 |
0.883 |
205 |
1655 |
|
|
3 |
A |
3214 |
2913 |
0.906 |
205 |
1656 |
|
|
4 |
A |
1642 |
1426 |
0.868 |
205 |
1657 |
|
|
5 |
A |
1628 |
1419 |
0.872 |
205 |
1658 |
|
|
6 |
A |
1493 |
1311 |
0.878 |
205 |
1659 |
|
|
7 |
A |
1035 |
955 |
0.923 |
205 |
1660 |
|
|
8 |
A |
1032 |
949 |
0.919 |
205 |
1661 |
|
|
9 |
A |
787 |
694 |
0.882 |
205 |
1662 |
|
|
10 |
A |
574 |
509 |
0.887 |
205 |
1663 |
|
|
11 |
A |
237 |
240 |
1.014 |
205 |
1664 |
|
|
12 |
A |
128 |
134 |
1.044 |
205 |
1665 |
|
|
13 |
A |
89 |
117 |
1.317 |
205 |
1666 |
|
|
14 |
B |
3398 |
2990 |
0.880 |
205 |
1667 |
|
|
15 |
B |
3376 |
2983 |
0.883 |
205 |
1668 |
|
|
16 |
B |
3214 |
2915 |
0.907 |
205 |
1669 |
|
|
17 |
B |
1644 |
1430 |
0.870 |
205 |
1670 |
|
|
18 |
B |
1625 |
1415 |
0.871 |
205 |
1671 |
|
|
19 |
B |
1483 |
1303 |
0.878 |
205 |
1672 |
|
|
20 |
B |
1036 |
955 |
0.922 |
205 |
1673 |
|
|
21 |
B |
1026 |
949 |
0.925 |
205 |
1674 |
|
|
22 |
B |
798 |
691 |
0.866 |
205 |
1675 |
|
|
23 |
B |
273 |
274 |
1.005 |
205 |
1676 |
|
|
24 |
B |
142 |
134 |
0.945 |
205 |
1677 |
C3H8 |
Propane |
1 |
A1 |
3416 |
2977 |
0.871 |
206 |
1678 |
|
|
2 |
A1 |
3274 |
2962 |
0.905 |
206 |
1679 |
|
|
3 |
A1 |
3247 |
2887 |
0.889 |
206 |
1680 |
|
|
4 |
A1 |
1664 |
1476 |
0.887 |
206 |
1681 |
|
|
5 |
A1 |
1630 |
1462 |
0.897 |
206 |
1682 |
|
|
6 |
A1 |
1545 |
1392 |
0.901 |
206 |
1683 |
|
|
7 |
A1 |
1248 |
1158 |
0.928 |
206 |
1684 |
|
|
8 |
A1 |
935 |
869 |
0.930 |
206 |
1685 |
|
|
9 |
A1 |
373 |
369 |
0.990 |
206 |
1686 |
|
|
10 |
A2 |
3414 |
2967 |
0.869 |
206 |
1687 |
|
|
11 |
A2 |
1646 |
1451 |
0.881 |
206 |
1688 |
|
|
12 |
A2 |
1391 |
1278 |
0.919 |
206 |
1689 |
|
|
13 |
A2 |
974 |
940 |
0.965 |
206 |
1690 |
|
|
14 |
A2 |
214 |
216 |
1.007 |
206 |
1691 |
|
|
15 |
B1 |
3418 |
2973 |
0.870 |
206 |
1692 |
|
|
16 |
B1 |
3373 |
2968 |
0.880 |
206 |
1693 |
|
|
17 |
B1 |
1653 |
1472 |
0.890 |
206 |
1694 |
|
|
18 |
B1 |
1294 |
1192 |
0.921 |
206 |
1695 |
|
|
19 |
B1 |
792 |
748 |
0.944 |
206 |
1696 |
|
|
20 |
B1 |
253 |
268 |
1.058 |
206 |
1697 |
|
|
21 |
B2 |
3415 |
2968 |
0.869 |
206 |
1698 |
|
|
22 |
B2 |
3247 |
2887 |
0.889 |
206 |
1699 |
|
|
23 |
B2 |
1653 |
1464 |
0.886 |
206 |
1700 |
|
|
24 |
B2 |
1530 |
1378 |
0.901 |
206 |
1701 |
|
|
25 |
B2 |
1464 |
1338 |
0.914 |
206 |
1702 |
|
|
26 |
B2 |
1132 |
1054 |
0.931 |
206 |
1703 |
|
|
27 |
B2 |
999 |
922 |
0.923 |
206 |
1704 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3442 |
3091 |
0.898 |
207 |
1705 |
|
|
2 |
A1 |
3408 |
3075 |
0.902 |
207 |
1706 |
|
|
3 |
A1 |
3239 |
2886 |
0.891 |
207 |
1707 |
|
|
4 |
A1 |
1642 |
1500 |
0.914 |
207 |
1708 |
|
|
5 |
A1 |
1554 |
1378 |
0.887 |
207 |
1709 |
|
|
6 |
A1 |
1465 |
1365 |
0.932 |
207 |
1710 |
|
|
7 |
A1 |
1165 |
1106 |
0.950 |
207 |
1711 |
|
|
8 |
A1 |
1058 |
994 |
0.940 |
207 |
1712 |
|
|
9 |
A1 |
969 |
915 |
0.944 |
207 |
1713 |
|
|
10 |
A1 |
827 |
802 |
0.970 |
207 |
1714 |
|
|
11 |
A2 |
1179 |
1100 |
0.933 |
207 |
1715 |
|
|
12 |
A2 |
963 |
941 |
0.977 |
207 |
1716 |
|
|
13 |
A2 |
731 |
700 |
0.958 |
207 |
1717 |
|
|
14 |
A2 |
527 |
516 |
0.978 |
207 |
1718 |
|
|
15 |
B1 |
3329 |
2900 |
0.871 |
207 |
1719 |
|
|
16 |
B1 |
972 |
925 |
0.952 |
207 |
1720 |
|
|
17 |
B1 |
957 |
891 |
0.931 |
207 |
1721 |
|
|
18 |
B1 |
697 |
664 |
0.953 |
207 |
1722 |
|
|
19 |
B1 |
355 |
350 |
0.987 |
207 |
1723 |
|
|
20 |
B2 |
3431 |
3105 |
0.905 |
207 |
1724 |
|
|
21 |
B2 |
3399 |
3043 |
0.895 |
207 |
1725 |
|
|
22 |
B2 |
1733 |
1580 |
0.912 |
207 |
1726 |
|
|
23 |
B2 |
1374 |
1292 |
0.941 |
207 |
1727 |
|
|
24 |
B2 |
1322 |
1239 |
0.937 |
207 |
1728 |
|
|
25 |
B2 |
1147 |
1090 |
0.950 |
207 |
1729 |
|
|
26 |
B2 |
1028 |
959 |
0.933 |
207 |
1730 |
|
|
27 |
B2 |
832 |
805 |
0.968 |
207 |
1731 |
C5H5N |
Pyridine |
1 |
A1 |
3409 |
3094 |
0.908 |
208 |
1732 |
|
|
2 |
A1 |
3387 |
3073 |
0.907 |
208 |
1733 |
|
|
3 |
A1 |
3359 |
3030 |
0.902 |
208 |
1734 |
|
|
4 |
A1 |
1657 |
1584 |
0.956 |
208 |
1735 |
|
|
5 |
A1 |
1537 |
1483 |
0.965 |
208 |
1736 |
|
|
6 |
A1 |
1249 |
1218 |
0.975 |
208 |
1737 |
|
|
7 |
A1 |
1106 |
1072 |
0.969 |
208 |
1738 |
|
|
8 |
A1 |
1059 |
1032 |
0.974 |
208 |
1739 |
|
|
9 |
A1 |
985 |
991 |
1.006 |
208 |
1740 |
|
|
10 |
A1 |
616 |
601 |
0.976 |
208 |
1741 |
|
|
11 |
A2 |
990 |
980 |
0.990 |
208 |
1742 |
|
|
12 |
A2 |
898 |
880 |
0.980 |
208 |
1743 |
|
|
13 |
A2 |
365 |
373 |
1.022 |
208 |
1744 |
|
|
14 |
B1 |
1018 |
1007 |
0.990 |
208 |
1745 |
|
|
15 |
B1 |
941 |
937 |
0.995 |
208 |
1746 |
|
|
16 |
B1 |
734 |
744 |
1.013 |
208 |
1747 |
|
|
17 |
B1 |
724 |
700 |
0.967 |
208 |
1748 |
|
|
18 |
B1 |
395 |
403 |
1.020 |
208 |
1749 |
|
|
19 |
B2 |
3397 |
3087 |
0.909 |
208 |
1750 |
|
|
20 |
B2 |
3358 |
3042 |
0.906 |
208 |
1751 |
|
|
21 |
B2 |
1651 |
1581 |
0.957 |
208 |
1752 |
|
|
22 |
B2 |
1481 |
1442 |
0.974 |
208 |
1753 |
|
|
23 |
B2 |
1392 |
1362 |
0.979 |
208 |
1754 |
|
|
24 |
B2 |
1249 |
1227 |
0.982 |
208 |
1755 |
|
|
25 |
B2 |
1203 |
1143 |
0.950 |
208 |
1756 |
|
|
26 |
B2 |
1094 |
1079 |
0.986 |
208 |
1757 |
|
|
27 |
B2 |
652 |
652 |
1.000 |
208 |
1758 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3421 |
3058 |
0.894 |
209 |
1759 |
|
|
2 |
A' |
3379 |
2995 |
0.886 |
209 |
1760 |
|
|
3 |
A' |
3347 |
2963 |
0.885 |
209 |
1761 |
|
|
4 |
A' |
3231 |
2938 |
0.909 |
209 |
1762 |
|
|
5 |
A' |
3047 |
2805 |
0.921 |
209 |
1763 |
|
|
6 |
A' |
1769 |
1720 |
0.972 |
209 |
1764 |
|
|
7 |
A' |
1741 |
1649 |
0.947 |
209 |
1765 |
|
|
8 |
A' |
1623 |
1455 |
0.896 |
209 |
1766 |
|
|
9 |
A' |
1517 |
1391 |
0.917 |
209 |
1767 |
|
|
10 |
A' |
1439 |
1375 |
0.956 |
209 |
1768 |
|
|
11 |
A' |
1369 |
1304 |
0.952 |
209 |
1769 |
|
|
12 |
A' |
1322 |
1253 |
0.948 |
209 |
1770 |
|
|
13 |
A' |
1180 |
1147 |
0.972 |
209 |
1771 |
|
|
14 |
A' |
1097 |
1074 |
0.979 |
209 |
1772 |
|
|
15 |
A' |
982 |
973 |
0.991 |
209 |
1773 |
|
|
16 |
A' |
518 |
539 |
1.040 |
209 |
1774 |
|
|
17 |
A' |
453 |
464 |
1.023 |
209 |
1775 |
|
|
18 |
A' |
194 |
230 |
1.185 |
209 |
1776 |
|
|
19 |
A" |
3372 |
2980 |
0.884 |
209 |
1777 |
|
|
20 |
A" |
1619 |
1455 |
0.899 |
209 |
1778 |
|
|
21 |
A" |
1112 |
1042 |
0.937 |
209 |
1779 |
|
|
22 |
A" |
1055 |
973 |
0.922 |
209 |
1780 |
|
|
23 |
A" |
945 |
928 |
0.982 |
209 |
1781 |
|
|
24 |
A" |
773 |
780 |
1.009 |
209 |
1782 |
|
|
25 |
A" |
277 |
295 |
1.066 |
209 |
1783 |
|
|
26 |
A" |
175 |
173 |
0.987 |
209 |
1784 |
|
|
27 |
A" |
119 |
122 |
1.029 |
209 |
1785 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3433 |
3005 |
0.875 |
210 |
1786 |
|
|
2 |
A' |
3415 |
2955 |
0.865 |
210 |
1787 |
|
|
3 |
A' |
3306 |
2927 |
0.885 |
210 |
1788 |
|
|
4 |
A' |
3252 |
2878 |
0.885 |
210 |
1789 |
|
|
5 |
A' |
1637 |
1472 |
0.899 |
210 |
1790 |
|
|
6 |
A' |
1626 |
1454 |
0.894 |
210 |
1791 |
|
|
7 |
A' |
1525 |
1390 |
0.911 |
210 |
1792 |
|
|
8 |
A' |
1343 |
1270 |
0.946 |
210 |
1793 |
|
|
9 |
A' |
1249 |
1163 |
0.931 |
210 |
1794 |
|
|
10 |
A' |
1132 |
1065 |
0.941 |
210 |
1795 |
|
|
11 |
A' |
945 |
888 |
0.939 |
210 |
1796 |
|
|
12 |
A' |
696 |
633 |
0.909 |
210 |
1797 |
|
|
13 |
A' |
419 |
418 |
0.998 |
210 |
1798 |
|
|
14 |
A' |
324 |
336 |
1.037 |
210 |
1799 |
|
|
15 |
A' |
235 |
253 |
1.075 |
210 |
1800 |
|
|
16 |
A" |
3432 |
2997 |
0.873 |
210 |
1801 |
|
|
17 |
A" |
3414 |
2985 |
0.874 |
210 |
1802 |
|
|
18 |
A" |
3251 |
2947 |
0.907 |
210 |
1803 |
|
|
19 |
A" |
1626 |
1472 |
0.905 |
210 |
1804 |
|
|
20 |
A" |
1620 |
1454 |
0.898 |
210 |
1805 |
|
|
21 |
A" |
1511 |
1377 |
0.911 |
210 |
1806 |
|
|
22 |
A" |
1424 |
1334 |
0.937 |
210 |
1807 |
|
|
23 |
A" |
1199 |
1123 |
0.937 |
210 |
1808 |
|
|
24 |
A" |
1009 |
972 |
0.963 |
210 |
1809 |
|
|
25 |
A" |
994 |
936 |
0.942 |
210 |
1810 |
|
|
26 |
A" |
305 |
317 |
1.038 |
210 |
1811 |
|
|
27 |
A" |
217 |
276 |
1.271 |
210 |
1812 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3437 |
3022 |
0.879 |
211 |
1813 |
|
|
2 |
A |
3420 |
3004 |
0.878 |
211 |
1814 |
|
|
3 |
A |
3405 |
2991 |
0.878 |
211 |
1815 |
|
|
4 |
A |
3315 |
2970 |
0.896 |
211 |
1816 |
|
|
5 |
A |
3282 |
2949 |
0.899 |
211 |
1817 |
|
|
6 |
A |
3257 |
2908 |
0.893 |
211 |
1818 |
|
|
7 |
A |
1624 |
1462 |
0.900 |
211 |
1819 |
|
|
8 |
A |
1616 |
1459 |
0.903 |
211 |
1820 |
|
|
9 |
A |
1570 |
1446 |
0.921 |
211 |
1821 |
|
|
10 |
A |
1509 |
1391 |
0.922 |
211 |
1822 |
|
|
11 |
A |
1428 |
1347 |
0.943 |
211 |
1823 |
|
|
12 |
A |
1349 |
1286 |
0.954 |
211 |
1824 |
|
|
13 |
A |
1293 |
1238 |
0.958 |
211 |
1825 |
|
|
14 |
A |
1251 |
1181 |
0.944 |
211 |
1826 |
|
|
15 |
A |
1184 |
1120 |
0.946 |
211 |
1827 |
|
|
16 |
A |
1115 |
1076 |
0.965 |
211 |
1828 |
|
|
17 |
A |
1079 |
1023 |
0.948 |
211 |
1829 |
|
|
18 |
A |
953 |
890 |
0.934 |
211 |
1830 |
|
|
19 |
A |
899 |
850 |
0.946 |
211 |
1831 |
|
|
20 |
A |
817 |
750 |
0.918 |
211 |
1832 |
|
|
21 |
A |
748 |
685 |
0.916 |
211 |
1833 |
|
|
22 |
A |
404 |
417 |
1.031 |
211 |
1834 |
|
|
23 |
A |
342 |
358 |
1.047 |
211 |
1835 |
|
|
24 |
A |
265 |
285 |
1.075 |
211 |
1836 |
|
|
25 |
A |
224 |
250 |
1.118 |
211 |
1837 |
|
|
26 |
A |
184 |
203 |
1.103 |
211 |
1838 |
|
|
27 |
A |
99 |
108 |
1.088 |
211 |
1839 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3421 |
2989 |
0.874 |
212 |
1840 |
|
|
2 |
A1 |
3331 |
2941 |
0.883 |
212 |
1841 |
|
|
3 |
A1 |
3234 |
2911 |
0.900 |
212 |
1842 |
|
|
4 |
A1 |
1828 |
1661 |
0.908 |
212 |
1843 |
|
|
5 |
A1 |
1638 |
1470 |
0.897 |
212 |
1844 |
|
|
6 |
A1 |
1542 |
1416 |
0.918 |
212 |
1845 |
|
|
7 |
A1 |
1518 |
1366 |
0.900 |
212 |
1846 |
|
|
8 |
A1 |
1135 |
1064 |
0.938 |
212 |
1847 |
|
|
9 |
A1 |
844 |
801 |
0.949 |
212 |
1848 |
|
|
10 |
A1 |
370 |
383 |
1.035 |
212 |
1849 |
|
|
11 |
A2 |
3379 |
2970 |
0.879 |
212 |
1850 |
|
|
12 |
A2 |
1624 |
1459 |
0.898 |
212 |
1851 |
|
|
13 |
A2 |
1083 |
1076 |
0.993 |
212 |
1852 |
|
|
14 |
A2 |
746 |
|
|
212 |
1853 |
|
|
15 |
A2 |
146 |
193 |
1.325 |
212 |
1854 |
|
|
16 |
B1 |
3379 |
2945 |
0.871 |
212 |
1855 |
|
|
17 |
B1 |
1631 |
1444 |
0.885 |
212 |
1856 |
|
|
18 |
B1 |
1164 |
1079 |
0.927 |
212 |
1857 |
|
|
19 |
B1 |
934 |
890 |
0.953 |
212 |
1858 |
|
|
20 |
B1 |
426 |
429 |
1.007 |
212 |
1859 |
|
|
21 |
B1 |
171 |
196 |
1.148 |
212 |
1860 |
|
|
22 |
B2 |
3482 |
3086 |
0.886 |
212 |
1861 |
|
|
23 |
B2 |
3419 |
2980 |
0.872 |
212 |
1862 |
|
|
24 |
B2 |
3232 |
2893 |
0.895 |
212 |
1863 |
|
|
25 |
B2 |
1636 |
1458 |
0.891 |
212 |
1864 |
|
|
26 |
B2 |
1520 |
1381 |
0.909 |
212 |
1865 |
|
|
27 |
B2 |
1370 |
1282 |
0.936 |
212 |
1866 |
|
|
28 |
B2 |
1026 |
1043 |
1.017 |
212 |
1867 |
|
|
29 |
B2 |
1022 |
974 |
0.953 |
212 |
1868 |
|
|
30 |
B2 |
428 |
430 |
1.004 |
212 |
1869 |
C6H6 |
Benzene |
1 |
A1g |
3414 |
3062 |
0.897 |
213 |
1870 |
|
|
2 |
A1g |
1045 |
992 |
0.949 |
213 |
1871 |
|
|
3 |
A2g |
1417 |
1326 |
0.936 |
213 |
1872 |
|
|
4 |
A2u |
695 |
673 |
0.968 |
213 |
1873 |
|
|
5 |
B1u |
3379 |
3068 |
0.908 |
213 |
1874 |
|
|
6 |
B1u |
1036 |
1010 |
0.975 |
213 |
1875 |
|
|
7 |
B2g |
1029 |
995 |
0.967 |
213 |
1876 |
|
|
8 |
B2g |
725 |
703 |
0.969 |
213 |
1877 |
|
|
9 |
B2u |
1373 |
1310 |
0.954 |
213 |
1878 |
|
|
10 |
B2u |
1213 |
1150 |
0.948 |
213 |
1879 |
|
|
11 |
E1g |
881 |
849 |
0.964 |
213 |
1880 |
|
|
12 |
E1u |
3403 |
3063 |
0.900 |
213 |
1881 |
|
|
13 |
E1u |
1573 |
1486 |
0.945 |
213 |
1882 |
|
|
14 |
E1u |
1096 |
1038 |
0.947 |
213 |
1883 |
|
|
15 |
E2g |
3390 |
3047 |
0.899 |
213 |
1884 |
|
|
16 |
E2g |
1703 |
1596 |
0.937 |
213 |
1885 |
|
|
17 |
E2g |
1232 |
1178 |
0.956 |
213 |
1886 |
|
|
18 |
E2g |
626 |
606 |
0.968 |
213 |
1887 |
|
|
19 |
E2u |
1004 |
975 |
0.971 |
213 |
1888 |
|
|
20 |
E2u |
412 |
410 |
0.995 |
213 |
1889 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3483 |
3088 |
0.887 |
214 |
1890 |
|
|
2 |
A |
3433 |
3017 |
0.879 |
214 |
1891 |
|
|
3 |
A |
3415 |
3011 |
0.882 |
214 |
1892 |
|
|
4 |
A |
3388 |
2990 |
0.883 |
214 |
1893 |
|
|
5 |
A |
3330 |
2974 |
0.893 |
214 |
1894 |
|
|
6 |
A |
3314 |
2967 |
0.895 |
214 |
1895 |
|
|
7 |
A |
3251 |
2927 |
0.900 |
214 |
1896 |
|
|
8 |
A |
1784 |
1645 |
0.922 |
214 |
1897 |
|
|
9 |
A |
1627 |
1452 |
0.892 |
214 |
1898 |
|
|
10 |
A |
1620 |
1447 |
0.893 |
214 |
1899 |
|
|
11 |
A |
1529 |
1424 |
0.931 |
214 |
1900 |
|
|
12 |
A |
1512 |
1375 |
0.909 |
214 |
1901 |
|
|
13 |
A |
1394 |
1297 |
0.931 |
214 |
1902 |
|
|
14 |
A |
1361 |
1283 |
0.942 |
214 |
1903 |
|
|
15 |
A |
1299 |
1233 |
0.949 |
214 |
1904 |
|
|
16 |
A |
1235 |
1174 |
0.951 |
214 |
1905 |
|
|
17 |
A |
1155 |
1090 |
0.944 |
214 |
1906 |
|
|
18 |
A |
1091 |
1025 |
0.940 |
214 |
1907 |
|
|
19 |
A |
1063 |
988 |
0.929 |
214 |
1908 |
|
|
20 |
A |
1026 |
966 |
0.942 |
214 |
1909 |
|
|
21 |
A |
962 |
931 |
0.967 |
214 |
1910 |
|
|
22 |
A |
908 |
864 |
0.951 |
214 |
1911 |
|
|
23 |
A |
758 |
708 |
0.934 |
214 |
1912 |
|
|
24 |
A |
656 |
625 |
0.952 |
214 |
1913 |
|
|
25 |
A |
471 |
456 |
0.968 |
214 |
1914 |
|
|
26 |
A |
309 |
319 |
1.031 |
214 |
1915 |
|
|
27 |
A |
295 |
305 |
1.033 |
214 |
1916 |
|
|
28 |
A |
263 |
283 |
1.077 |
214 |
1917 |
|
|
29 |
A |
224 |
245 |
1.094 |
214 |
1918 |
|
|
30 |
A |
95 |
92 |
0.965 |
214 |
1919 |
C5H8 |
Cyclopentene |
1 |
A' |
3420 |
3066 |
0.896 |
215 |
1920 |
|
|
2 |
A' |
3402 |
2958 |
0.870 |
215 |
1921 |
|
|
3 |
A' |
3347 |
2916 |
0.871 |
215 |
1922 |
|
|
4 |
A' |
3293 |
2902 |
0.881 |
215 |
1923 |
|
|
5 |
A' |
3252 |
2852 |
0.877 |
215 |
1924 |
|
|
6 |
A' |
1792 |
1616 |
0.902 |
215 |
1925 |
|
|
7 |
A' |
1642 |
1467 |
0.894 |
215 |
1926 |
|
|
8 |
A' |
1621 |
1449 |
0.894 |
215 |
1927 |
|
|
9 |
A' |
1420 |
1302 |
0.917 |
215 |
1928 |
|
|
10 |
A' |
1293 |
1284 |
0.993 |
215 |
1929 |
|
|
11 |
A' |
1167 |
1213 |
1.039 |
215 |
1930 |
|
|
12 |
A' |
1120 |
1048 |
0.936 |
215 |
1931 |
|
|
13 |
A' |
1038 |
964 |
0.929 |
215 |
1932 |
|
|
14 |
A' |
960 |
962 |
1.003 |
215 |
1933 |
|
|
15 |
A' |
823 |
904 |
1.099 |
215 |
1934 |
|
|
16 |
A' |
724 |
692 |
0.956 |
215 |
1935 |
|
|
17 |
A' |
683 |
603 |
0.883 |
215 |
1936 |
|
|
18 |
A' |
49 |
254 |
5.208 |
215 |
1937 |
|
|
19 |
A" |
3387 |
3039 |
0.897 |
215 |
1938 |
|
|
20 |
A" |
3346 |
2967 |
0.887 |
215 |
1939 |
|
|
21 |
A" |
3251 |
2927 |
0.900 |
215 |
1940 |
|
|
22 |
A" |
1626 |
1467 |
0.902 |
215 |
1941 |
|
|
23 |
A" |
1460 |
1432 |
0.981 |
215 |
1942 |
|
|
24 |
A" |
1376 |
1356 |
0.986 |
215 |
1943 |
|
|
25 |
A" |
1370 |
1302 |
0.950 |
215 |
1944 |
|
|
26 |
A" |
1325 |
1297 |
0.979 |
215 |
1945 |
|
|
27 |
A" |
1216 |
1207 |
0.992 |
215 |
1946 |
|
|
28 |
A" |
1130 |
1113 |
0.985 |
215 |
1947 |
|
|
29 |
A" |
986 |
1082 |
1.097 |
215 |
1948 |
|
|
30 |
A" |
973 |
937 |
0.963 |
215 |
1949 |
|
|
31 |
A" |
950 |
800 |
0.842 |
215 |
1950 |
|
|
32 |
A" |
807 |
702 |
0.870 |
215 |
1951 |
|
|
33 |
A" |
376 |
387 |
1.029 |
215 |
1952 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3480 |
3080 |
0.885 |
216 |
1953 |
|
|
2 |
A |
3374 |
3012 |
0.893 |
216 |
1954 |
|
|
3 |
A |
3328 |
3012 |
0.905 |
216 |
1955 |
|
|
4 |
A |
3252 |
2900 |
0.892 |
216 |
1956 |
|
|
5 |
A |
1811 |
1644 |
0.908 |
216 |
1957 |
|
|
6 |
A |
1599 |
1433 |
0.896 |
216 |
1958 |
|
|
7 |
A |
1534 |
1413 |
0.921 |
216 |
1959 |
|
|
8 |
A |
1375 |
1295 |
0.942 |
216 |
1960 |
|
|
9 |
A |
1318 |
1263 |
0.959 |
216 |
1961 |
|
|
10 |
A |
1123 |
1120 |
0.997 |
216 |
1962 |
|
|
11 |
A |
1077 |
995 |
0.924 |
216 |
1963 |
|
|
12 |
A |
955 |
918 |
0.962 |
216 |
1964 |
|
|
13 |
A |
946 |
876 |
0.926 |
216 |
1965 |
|
|
14 |
A |
690 |
562 |
0.814 |
216 |
1966 |
|
|
15 |
A |
370 |
421 |
1.138 |
216 |
1967 |
|
|
16 |
A |
292 |
137 |
0.470 |
216 |
1968 |
|
|
17 |
A |
75 |
102 |
1.364 |
216 |
1969 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3425 |
2987 |
0.872 |
217 |
1970 |
|
|
2 |
A1 |
3289 |
2941 |
0.894 |
217 |
1971 |
|
|
3 |
A1 |
3234 |
2916 |
0.902 |
217 |
1972 |
|
|
4 |
A1 |
2159 |
1996 |
0.925 |
217 |
1973 |
|
|
5 |
A1 |
1644 |
1470 |
0.894 |
217 |
1974 |
|
|
6 |
A1 |
1575 |
1438 |
0.913 |
217 |
1975 |
|
|
7 |
A1 |
1521 |
1369 |
0.900 |
217 |
1976 |
|
|
8 |
A1 |
1390 |
1286 |
0.925 |
217 |
1977 |
|
|
9 |
A1 |
1067 |
973 |
0.912 |
217 |
1978 |
|
|
10 |
A1 |
760 |
726 |
0.955 |
217 |
1979 |
|
|
11 |
A1 |
335 |
349 |
1.041 |
217 |
1980 |
|
|
12 |
A2 |
3381 |
2941 |
0.870 |
217 |
1981 |
|
|
13 |
A2 |
1622 |
1470 |
0.906 |
217 |
1982 |
|
|
14 |
A2 |
1061 |
985 |
0.928 |
217 |
1983 |
|
|
15 |
A2 |
641 |
617 |
0.963 |
217 |
1984 |
|
|
17 |
B1 |
3416 |
3051 |
0.893 |
217 |
1985 |
|
|
18 |
B1 |
3381 |
2941 |
0.870 |
217 |
1986 |
|
|
19 |
B1 |
1628 |
1470 |
0.903 |
217 |
1987 |
|
|
20 |
B1 |
1152 |
1068 |
0.927 |
217 |
1988 |
|
|
21 |
B1 |
1071 |
1004 |
0.938 |
217 |
1989 |
|
|
22 |
B1 |
435 |
443 |
1.018 |
217 |
1990 |
|
|
23 |
B1 |
253 |
187 |
0.740 |
217 |
1991 |
|
|
25 |
B2 |
3423 |
2941 |
0.859 |
217 |
1992 |
|
|
26 |
B2 |
3232 |
2916 |
0.902 |
217 |
1993 |
|
|
27 |
B2 |
1631 |
1470 |
0.901 |
217 |
1994 |
|
|
28 |
B2 |
1506 |
1369 |
0.909 |
217 |
1995 |
|
|
29 |
B2 |
1271 |
1191 |
0.937 |
217 |
1996 |
|
|
30 |
B2 |
1024 |
968 |
0.945 |
217 |
1997 |
|
|
31 |
B2 |
891 |
848 |
0.951 |
217 |
1998 |
|
|
32 |
B2 |
598 |
554 |
0.926 |
217 |
1999 |
|
|
33 |
B2 |
176 |
187 |
1.062 |
217 |
2000 |
C5H8 |
Spiropentane |
1 |
A1 |
3323 |
3000 |
0.903 |
218 |
2001 |
|
|
2 |
A1 |
1583 |
1423 |
0.899 |
218 |
2002 |
|
|
3 |
A1 |
1206 |
1160 |
0.962 |
218 |
2003 |
|
|
4 |
A1 |
1116 |
1037 |
0.929 |
218 |
2004 |
|
|
5 |
A1 |
656 |
588 |
0.896 |
218 |
2005 |
|
|
6 |
A2 |
3465 |
3070 |
0.886 |
218 |
2006 |
|
|
7 |
A2 |
1233 |
1174 |
0.952 |
218 |
2007 |
|
|
8 |
A2 |
875 |
919 |
1.050 |
218 |
2008 |
|
|
9 |
B1 |
3465 |
3066 |
0.885 |
218 |
2009 |
|
|
10 |
B1 |
1237 |
1166 |
0.942 |
218 |
2010 |
|
|
11 |
B1 |
1059 |
888 |
0.839 |
218 |
2011 |
|
|
12 |
B1 |
297 |
300 |
1.011 |
218 |
2012 |
|
|
13 |
B2 |
3325 |
3000 |
0.902 |
218 |
2013 |
|
|
14 |
B2 |
1673 |
1521 |
0.909 |
218 |
2014 |
|
|
15 |
B2 |
1518 |
1415 |
0.932 |
218 |
2015 |
|
|
16 |
B2 |
1135 |
990 |
0.872 |
218 |
2016 |
|
|
17 |
B2 |
1007 |
872 |
0.866 |
218 |
2017 |
|
|
18 |
E |
3472 |
3067 |
0.883 |
218 |
2018 |
|
|
19 |
E |
3319 |
2985 |
0.899 |
218 |
2019 |
|
|
20 |
E |
1555 |
1431 |
0.920 |
218 |
2020 |
|
|
21 |
E |
1257 |
1150 |
0.915 |
218 |
2021 |
|
|
22 |
E |
1159 |
1049 |
0.905 |
218 |
2022 |
|
|
23 |
E |
950 |
870 |
0.916 |
218 |
2023 |
|
|
24 |
E |
822 |
780 |
0.949 |
218 |
2024 |
|
|
25 |
E |
313 |
308 |
0.984 |
218 |
2025 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3340 |
2953 |
0.884 |
219 |
2026 |
|
|
2 |
A1 |
3176 |
2775 |
0.874 |
219 |
2027 |
|
|
3 |
A1 |
1625 |
1459 |
0.897 |
219 |
2028 |
|
|
4 |
A1 |
1557 |
1444 |
0.927 |
219 |
2029 |
|
|
5 |
A1 |
1217 |
1186 |
0.975 |
219 |
2030 |
|
|
6 |
A1 |
802 |
828 |
1.032 |
219 |
2031 |
|
|
7 |
A1 |
367 |
367 |
1.000 |
219 |
2032 |
|
|
8 |
A2 |
3400 |
2977 |
0.875 |
219 |
2033 |
|
|
9 |
A2 |
1633 |
1453 |
0.889 |
219 |
2034 |
|
|
10 |
A2 |
1080 |
1046 |
0.969 |
219 |
2035 |
|
|
11 |
A2 |
259 |
255 |
0.986 |
219 |
2036 |
|
|
12 |
E |
3402 |
2981 |
0.876 |
219 |
2037 |
|
|
13 |
E |
3340 |
2953 |
0.884 |
219 |
2038 |
|
|
14 |
E |
3174 |
2776 |
0.875 |
219 |
2039 |
|
|
15 |
E |
1639 |
1471 |
0.898 |
219 |
2040 |
|
|
16 |
E |
1616 |
1444 |
0.894 |
219 |
2041 |
|
|
17 |
E |
1519 |
1409 |
0.928 |
219 |
2042 |
|
|
18 |
E |
1322 |
1275 |
0.965 |
219 |
2043 |
|
|
19 |
E |
1121 |
1103 |
0.984 |
219 |
2044 |
|
|
20 |
E |
1063 |
1043 |
0.981 |
219 |
2045 |
|
|
21 |
E |
406 |
424 |
1.043 |
219 |
2046 |
|
|
22 |
E |
270 |
281 |
1.042 |
219 |
2047 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3418 |
2974 |
0.870 |
220 |
2048 |
|
|
2 |
A' |
3413 |
2953 |
0.865 |
220 |
2049 |
|
|
3 |
A' |
3314 |
2940 |
0.887 |
220 |
2050 |
|
|
4 |
A' |
3246 |
2876 |
0.886 |
220 |
2051 |
|
|
5 |
A' |
3039 |
2757 |
0.907 |
220 |
2052 |
|
|
6 |
A' |
1800 |
1752 |
0.973 |
220 |
2053 |
|
|
7 |
A' |
1650 |
1474 |
0.893 |
220 |
2054 |
|
|
8 |
A' |
1648 |
1449 |
0.879 |
220 |
2055 |
|
|
9 |
A' |
1534 |
1399 |
0.912 |
220 |
2056 |
|
|
10 |
A' |
1450 |
1381 |
0.953 |
220 |
2057 |
|
|
11 |
A' |
1375 |
1329 |
0.967 |
220 |
2058 |
|
|
12 |
A' |
1250 |
1182 |
0.946 |
220 |
2059 |
|
|
13 |
A' |
1198 |
1138 |
0.950 |
220 |
2060 |
|
|
14 |
A' |
964 |
922 |
0.957 |
220 |
2061 |
|
|
15 |
A' |
870 |
800 |
0.920 |
220 |
2062 |
|
|
16 |
A' |
526 |
632 |
1.202 |
220 |
2063 |
|
|
17 |
A' |
341 |
395 |
1.157 |
220 |
2064 |
|
|
18 |
A' |
331 |
272 |
0.822 |
220 |
2065 |
|
|
19 |
A' |
214 |
212 |
0.992 |
220 |
2066 |
|
|
20 |
A" |
3417 |
2990 |
0.875 |
220 |
2067 |
|
|
21 |
A" |
3412 |
2982 |
0.874 |
220 |
2068 |
|
|
22 |
A" |
3246 |
2885 |
0.889 |
220 |
2069 |
|
|
23 |
A" |
1642 |
1467 |
0.893 |
220 |
2070 |
|
|
24 |
A" |
1640 |
1452 |
0.885 |
220 |
2071 |
|
|
25 |
A" |
1517 |
1437 |
0.947 |
220 |
2072 |
|
|
26 |
A" |
1424 |
1290 |
0.906 |
220 |
2073 |
|
|
27 |
A" |
1185 |
1109 |
0.936 |
220 |
2074 |
|
|
28 |
A" |
1034 |
965 |
0.933 |
220 |
2075 |
|
|
29 |
A" |
996 |
942 |
0.946 |
220 |
2076 |
|
|
30 |
A" |
907 |
933 |
1.028 |
220 |
2077 |
|
|
31 |
A" |
312 |
351 |
1.124 |
220 |
2078 |
|
|
32 |
A" |
205 |
227 |
1.109 |
220 |
2079 |
|
|
33 |
A" |
74 |
75 |
1.007 |
220 |
2080 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
429 |
1442 |
3.365 |
221 |
2081 |
|
|
|
Ag |
900 |
1151 |
1.279 |
221 |
2082 |
|
|
|
Au |
1369 |
1257 |
0.919 |
221 |
2083 |
|
|
|
Bg |
1649 |
1180 |
0.715 |
221 |
2084 |
|
|
|
Bu |
3248 |
2870 |
0.884 |
221 |
2085 |
|
|
|
Bu |
3278 |
1461 |
0.446 |
221 |
2086 |
|
|
|
Bu |
3416 |
1009 |
0.295 |
221 |
2087 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3418 |
3345 |
0.979 |
222 |
2088 |
|
|
2 |
A' |
3407 |
2975 |
0.873 |
222 |
2089 |
|
|
3 |
A' |
3335 |
2950 |
0.884 |
222 |
2090 |
|
|
4 |
A' |
3293 |
2918 |
0.886 |
222 |
2091 |
|
|
5 |
A' |
3288 |
2905 |
0.884 |
222 |
2092 |
|
|
6 |
A' |
3212 |
2887 |
0.899 |
222 |
2093 |
|
|
7 |
A' |
1802 |
1614 |
0.896 |
222 |
2094 |
|
|
8 |
A' |
1624 |
1467 |
0.904 |
222 |
2095 |
|
|
9 |
A' |
1604 |
1443 |
0.899 |
222 |
2096 |
|
|
10 |
A' |
1460 |
1390 |
0.952 |
222 |
2097 |
|
|
11 |
A' |
1361 |
1291 |
0.948 |
222 |
2098 |
|
|
12 |
A' |
1304 |
1237 |
0.948 |
222 |
2099 |
|
|
13 |
A' |
1215 |
1137 |
0.936 |
222 |
2100 |
|
|
14 |
A' |
1169 |
1120 |
0.958 |
222 |
2101 |
|
|
15 |
A' |
1049 |
1050 |
1.001 |
222 |
2102 |
|
|
16 |
A' |
984 |
965 |
0.980 |
222 |
2103 |
|
|
17 |
A' |
923 |
788 |
0.854 |
222 |
2104 |
|
|
18 |
A' |
807 |
752 |
0.932 |
222 |
2105 |
|
|
19 |
A' |
665 |
606 |
0.912 |
222 |
2106 |
|
|
20 |
A' |
411 |
448 |
1.091 |
222 |
2107 |
|
|
21 |
A' |
110 |
174 |
1.588 |
222 |
2108 |
|
|
22 |
A" |
3519 |
3411 |
0.969 |
222 |
2109 |
|
|
23 |
A" |
3412 |
2970 |
0.870 |
222 |
2110 |
|
|
24 |
A" |
3287 |
2957 |
0.900 |
222 |
2111 |
|
|
25 |
A" |
1595 |
1452 |
0.910 |
222 |
2112 |
|
|
26 |
A" |
1445 |
1213 |
0.839 |
222 |
2113 |
|
|
27 |
A" |
1352 |
1185 |
0.877 |
222 |
2114 |
|
|
28 |
A" |
1323 |
1168 |
0.883 |
222 |
2115 |
|
|
29 |
A" |
1304 |
1036 |
0.795 |
222 |
2116 |
|
|
30 |
A" |
1284 |
|
|
222 |
2117 |
|
|
31 |
A" |
1075 |
925 |
0.861 |
222 |
2118 |
|
|
32 |
A" |
1036 |
912 |
0.880 |
222 |
2119 |
|
|
33 |
A" |
1003 |
883 |
0.880 |
222 |
2120 |
|
|
34 |
A" |
821 |
788 |
0.960 |
222 |
2121 |
|
|
35 |
A" |
353 |
354 |
1.002 |
222 |
2122 |
|
|
36 |
A" |
216 |
240 |
1.109 |
222 |
2123 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3322 |
2968 |
0.894 |
223 |
2124 |
|
|
2 |
Ag |
3169 |
2856 |
0.901 |
223 |
2125 |
|
|
3 |
Ag |
1587 |
1444 |
0.910 |
223 |
2126 |
|
|
4 |
Ag |
1457 |
1397 |
0.959 |
223 |
2127 |
|
|
5 |
Ag |
1353 |
1305 |
0.964 |
223 |
2128 |
|
|
6 |
Ag |
1146 |
1128 |
0.984 |
223 |
2129 |
|
|
7 |
Ag |
1031 |
1015 |
0.985 |
223 |
2130 |
|
|
8 |
Ag |
858 |
837 |
0.975 |
223 |
2131 |
|
|
9 |
Ag |
462 |
435 |
0.941 |
223 |
2132 |
|
|
10 |
Ag |
387 |
424 |
1.095 |
223 |
2133 |
|
|
11 |
Au |
3321 |
2970 |
0.894 |
223 |
2134 |
|
|
12 |
Au |
3170 |
2863 |
0.903 |
223 |
2135 |
|
|
13 |
Au |
1583 |
1449 |
0.915 |
223 |
2136 |
|
|
14 |
Au |
1423 |
1369 |
0.962 |
223 |
2137 |
|
|
15 |
Au |
1287 |
1256 |
0.976 |
223 |
2138 |
|
|
16 |
Au |
1140 |
1136 |
0.996 |
223 |
2139 |
|
|
17 |
Au |
1104 |
1086 |
0.983 |
223 |
2140 |
|
|
18 |
Au |
907 |
881 |
0.971 |
223 |
2141 |
|
|
19 |
Au |
223 |
288 |
1.294 |
223 |
2142 |
|
|
20 |
Bg |
3324 |
2968 |
0.893 |
223 |
2143 |
|
|
21 |
Bg |
3178 |
2856 |
0.899 |
223 |
2144 |
|
|
22 |
Bg |
1581 |
1459 |
0.923 |
223 |
2145 |
|
|
23 |
Bg |
1376 |
1335 |
0.970 |
223 |
2146 |
|
|
24 |
Bg |
1244 |
1217 |
0.979 |
223 |
2147 |
|
|
25 |
Bg |
1149 |
1110 |
0.966 |
223 |
2148 |
|
|
26 |
Bg |
887 |
853 |
0.962 |
223 |
2149 |
|
|
27 |
Bg |
463 |
490 |
1.058 |
223 |
2150 |
|
|
28 |
Bu |
3325 |
2970 |
0.893 |
223 |
2151 |
|
|
29 |
Bu |
3178 |
2863 |
0.901 |
223 |
2152 |
|
|
30 |
Bu |
1581 |
1457 |
0.921 |
223 |
2153 |
|
|
31 |
Bu |
1461 |
1378 |
0.943 |
223 |
2154 |
|
|
32 |
Bu |
1328 |
1291 |
0.972 |
223 |
2155 |
|
|
33 |
Bu |
1076 |
1052 |
0.978 |
223 |
2156 |
|
|
34 |
Bu |
920 |
889 |
0.967 |
223 |
2157 |
|
|
35 |
Bu |
591 |
610 |
1.032 |
223 |
2158 |
|
|
36 |
Bu |
276 |
274 |
0.993 |
223 |
2159 |
C8H8 |
cubane |
1 |
A1g |
3366 |
2995 |
0.890 |
224 |
2160 |
|
|
2 |
A1g |
1084 |
1002 |
0.924 |
224 |
2161 |
|
|
3 |
A2u |
3328 |
2978 |
0.895 |
224 |
2162 |
|
|
4 |
A2u |
1102 |
839 |
0.761 |
224 |
2163 |
|
|
5 |
Eg |
1211 |
1083 |
0.894 |
224 |
2164 |
|
|
6 |
Eg |
975 |
912 |
0.935 |
224 |
2165 |
|
|
7 |
Eu |
1220 |
1151 |
0.944 |
224 |
2166 |
|
|
8 |
Eu |
659 |
617 |
0.936 |
224 |
2167 |
|
|
9 |
T1g |
1198 |
1130 |
0.943 |
224 |
2168 |
|
|
10 |
T1u |
3348 |
2978 |
0.890 |
224 |
2169 |
|
|
11 |
T1u |
1344 |
1230 |
0.915 |
224 |
2170 |
|
|
12 |
T1u |
921 |
853 |
0.926 |
224 |
2171 |
|
|
13 |
T2g |
3338 |
2970 |
0.890 |
224 |
2172 |
|
|
14 |
T2g |
1328 |
1182 |
0.890 |
224 |
2173 |
|
|
15 |
T2g |
904 |
821 |
0.909 |
224 |
2174 |
|
|
16 |
T2g |
736 |
665 |
0.904 |
224 |
2175 |
|
|
17 |
T2u |
1185 |
1036 |
0.875 |
224 |
2176 |
|
|
18 |
T2u |
919 |
829 |
0.903 |
224 |
2177 |
C5H12 |
Pentane |
1 |
A1 |
3416 |
2973 |
0.870 |
225 |
2178 |
|
|
2 |
A1 |
3278 |
2892 |
0.882 |
225 |
2179 |
|
|
3 |
A1 |
3264 |
2866 |
0.878 |
225 |
2180 |
|
|
4 |
A1 |
3248 |
2866 |
0.882 |
225 |
2181 |
|
|
5 |
A1 |
1662 |
1480 |
0.890 |
225 |
2182 |
|
|
6 |
A1 |
1647 |
1463 |
0.888 |
225 |
2183 |
|
|
7 |
A1 |
1626 |
1450 |
0.892 |
225 |
2184 |
|
|
8 |
A1 |
1537 |
1379 |
0.897 |
225 |
2185 |
|
|
9 |
A1 |
1460 |
1346 |
0.922 |
225 |
2186 |
|
|
10 |
A1 |
1225 |
1144 |
0.934 |
225 |
2187 |
|
|
11 |
A1 |
1116 |
1036 |
0.929 |
225 |
2188 |
|
|
12 |
A1 |
933 |
867 |
0.929 |
225 |
2189 |
|
|
13 |
A1 |
401 |
401 |
0.999 |
225 |
2190 |
|
|
14 |
A1 |
180 |
179 |
0.997 |
225 |
2191 |
|
|
15 |
A2 |
3417 |
2967 |
0.868 |
225 |
2192 |
|
|
16 |
A2 |
3375 |
2908 |
0.862 |
225 |
2193 |
|
|
17 |
A2 |
1649 |
1462 |
0.887 |
225 |
2194 |
|
|
18 |
A2 |
1405 |
1346 |
0.958 |
225 |
2195 |
|
|
19 |
A2 |
1348 |
1269 |
0.941 |
225 |
2196 |
|
|
20 |
A2 |
1060 |
993 |
0.937 |
225 |
2197 |
|
|
21 |
A2 |
810 |
766 |
0.946 |
225 |
2198 |
|
|
22 |
A2 |
230 |
210 |
0.912 |
225 |
2199 |
|
|
23 |
A2 |
112 |
131 |
1.173 |
225 |
2200 |
|
|
24 |
B1 |
3417 |
2965 |
0.868 |
225 |
2201 |
|
|
25 |
B1 |
3387 |
2930 |
0.865 |
225 |
2202 |
|
|
26 |
B1 |
3363 |
2930 |
0.871 |
225 |
2203 |
|
|
27 |
B1 |
1649 |
1469 |
0.891 |
225 |
2204 |
|
|
28 |
B1 |
1398 |
1303 |
0.932 |
225 |
2205 |
|
|
29 |
B1 |
1286 |
1170 |
0.910 |
225 |
2206 |
|
|
30 |
B1 |
922 |
858 |
0.930 |
225 |
2207 |
|
|
31 |
B1 |
766 |
727 |
0.949 |
225 |
2208 |
|
|
32 |
B1 |
228 |
215 |
0.944 |
225 |
2209 |
|
|
33 |
B1 |
108 |
88 |
0.817 |
225 |
2210 |
|
|
34 |
B2 |
3416 |
2965 |
0.868 |
225 |
2211 |
|
|
35 |
B2 |
3273 |
2879 |
0.880 |
225 |
2212 |
|
|
36 |
B2 |
3248 |
2866 |
0.882 |
225 |
2213 |
|
|
37 |
B2 |
1659 |
1476 |
0.890 |
225 |
2214 |
|
|
38 |
B2 |
1632 |
1456 |
0.892 |
225 |
2215 |
|
|
39 |
B2 |
1535 |
1389 |
0.905 |
225 |
2216 |
|
|
40 |
B2 |
1506 |
1379 |
0.916 |
225 |
2217 |
|
|
41 |
B2 |
1368 |
1269 |
0.927 |
225 |
2218 |
|
|
42 |
B2 |
1140 |
1073 |
0.942 |
225 |
2219 |
|
|
43 |
B2 |
1112 |
1024 |
0.921 |
225 |
2220 |
|
|
44 |
B2 |
989 |
910 |
0.920 |
225 |
2221 |
|
|
45 |
B2 |
399 |
406 |
1.016 |
225 |
2222 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3243 |
2909 |
0.897 |
226 |
2223 |
|
|
2 |
A1 |
1553 |
1381 |
0.889 |
226 |
2224 |
|
|
3 |
A1 |
761 |
733 |
0.963 |
226 |
2225 |
|
|
4 |
A2 |
244 |
198 |
0.811 |
226 |
2226 |
|
|
5 |
E |
3417 |
2955 |
0.865 |
226 |
2227 |
|
|
6 |
E |
1648 |
1451 |
0.880 |
226 |
2228 |
|
|
7 |
E |
1153 |
999 |
0.866 |
226 |
2229 |
|
|
8 |
E |
331 |
335 |
1.012 |
226 |
2230 |
|
|
9 |
T1 |
3415 |
2975 |
0.871 |
226 |
2231 |
|
|
10 |
T1 |
1645 |
1461 |
0.888 |
226 |
2232 |
|
|
11 |
T1 |
1033 |
932 |
0.902 |
226 |
2233 |
|
|
12 |
T1 |
291 |
203 |
0.698 |
226 |
2234 |
|
|
13 |
T2 |
3416 |
2959 |
0.866 |
226 |
2235 |
|
|
14 |
T2 |
3245 |
2876 |
0.886 |
226 |
2236 |
|
|
15 |
T2 |
1663 |
1475 |
0.887 |
226 |
2237 |
|
|
16 |
T2 |
1521 |
1372 |
0.902 |
226 |
2238 |
|
|
17 |
T2 |
1374 |
1256 |
0.914 |
226 |
2239 |
|
|
18 |
T2 |
995 |
925 |
0.929 |
226 |
2240 |
|
|
19 |
T2 |
419 |
418 |
0.998 |
226 |
2241 |
C5H11N |
Piperidine |
1 |
A' |
3424 |
3341 |
0.976 |
227 |
2242 |
|
|
2 |
A' |
3391 |
2947 |
0.869 |
227 |
2243 |
|
|
3 |
A' |
3375 |
2931 |
0.869 |
227 |
2244 |
|
|
4 |
A' |
3335 |
2917 |
0.875 |
227 |
2245 |
|
|
5 |
A' |
3277 |
2892 |
0.883 |
227 |
2246 |
|
|
6 |
A' |
3270 |
2850 |
0.872 |
227 |
2247 |
|
|
7 |
A' |
3181 |
2730 |
0.858 |
227 |
2248 |
|
|
8 |
A' |
1636 |
1476 |
0.902 |
227 |
2249 |
|
|
9 |
A' |
1622 |
1452 |
0.895 |
227 |
2250 |
|
|
10 |
A' |
1615 |
1444 |
0.894 |
227 |
2251 |
|
|
11 |
A' |
1502 |
1386 |
0.923 |
227 |
2252 |
|
|
12 |
A' |
1469 |
1365 |
0.929 |
227 |
2253 |
|
|
13 |
A' |
1361 |
1346 |
0.989 |
227 |
2254 |
|
|
14 |
A' |
1331 |
1266 |
0.951 |
227 |
2255 |
|
|
15 |
A' |
1218 |
1164 |
0.956 |
227 |
2256 |
|
|
16 |
A' |
1141 |
1035 |
0.907 |
227 |
2257 |
|
|
17 |
A' |
1090 |
1006 |
0.923 |
227 |
2258 |
|
|
18 |
A' |
993 |
906 |
0.912 |
227 |
2259 |
|
|
19 |
A' |
911 |
853 |
0.936 |
227 |
2260 |
|
|
20 |
A' |
877 |
822 |
0.937 |
227 |
2261 |
|
|
21 |
A' |
792 |
743 |
0.938 |
227 |
2262 |
|
|
22 |
A' |
541 |
546 |
1.009 |
227 |
2263 |
|
|
23 |
A' |
440 |
432 |
0.983 |
227 |
2264 |
|
|
24 |
A' |
384 |
404 |
1.053 |
227 |
2265 |
|
|
25 |
A' |
245 |
246 |
1.004 |
227 |
2266 |
|
|
26 |
A" |
3387 |
2940 |
0.868 |
227 |
2267 |
|
|
27 |
A" |
3333 |
2902 |
0.871 |
227 |
2268 |
|
|
28 |
A" |
3277 |
2850 |
0.870 |
227 |
2269 |
|
|
29 |
A" |
3184 |
2803 |
0.880 |
227 |
2270 |
|
|
30 |
A" |
1623 |
1468 |
0.904 |
227 |
2271 |
|
|
31 |
A" |
1611 |
1460 |
0.906 |
227 |
2272 |
|
|
32 |
A" |
1540 |
1436 |
0.933 |
227 |
2273 |
|
|
33 |
A" |
1475 |
1332 |
0.903 |
227 |
2274 |
|
|
34 |
A" |
1438 |
1318 |
0.917 |
227 |
2275 |
|
|
35 |
A" |
1403 |
1285 |
0.916 |
227 |
2276 |
|
|
36 |
A" |
1353 |
1258 |
0.930 |
227 |
2277 |
|
|
37 |
A" |
1221 |
1191 |
0.975 |
227 |
2278 |
|
|
38 |
A" |
1191 |
1146 |
0.962 |
227 |
2279 |
|
|
39 |
A" |
1175 |
1115 |
0.949 |
227 |
2280 |
|
|
40 |
A" |
1116 |
1052 |
0.942 |
227 |
2281 |
|
|
41 |
A" |
1024 |
964 |
0.941 |
227 |
2282 |
|
|
42 |
A" |
931 |
874 |
0.939 |
227 |
2283 |
|
|
43 |
A" |
858 |
810 |
0.944 |
227 |
2284 |
|
|
44 |
A" |
441 |
445 |
1.010 |
227 |
2285 |
|
|
45 |
A" |
232 |
254 |
1.096 |
227 |
2286 |
C6H12 |
Cyclohexane |
1 |
A1g |
3369 |
2930 |
0.870 |
228 |
2287 |
|
|
2 |
A1g |
3270 |
2852 |
0.872 |
228 |
2288 |
|
|
3 |
A1g |
1646 |
1465 |
0.890 |
228 |
2289 |
|
|
4 |
A1g |
1254 |
1157 |
0.923 |
228 |
2290 |
|
|
5 |
A1g |
851 |
802 |
0.942 |
228 |
2291 |
|
|
6 |
A1g |
357 |
383 |
1.071 |
228 |
2292 |
|
|
7 |
A1u |
1478 |
1383 |
0.936 |
228 |
2293 |
|
|
8 |
A1u |
1204 |
1157 |
0.961 |
228 |
2294 |
|
|
9 |
A1u |
1173 |
1057 |
0.901 |
228 |
2295 |
|
|
10 |
A2g |
1425 |
1437 |
1.008 |
228 |
2296 |
|
|
11 |
A2g |
1143 |
1090 |
0.954 |
228 |
2297 |
|
|
12 |
A2u |
3387 |
2915 |
0.861 |
228 |
2298 |
|
|
13 |
A2u |
3270 |
2860 |
0.875 |
228 |
2299 |
|
|
14 |
A2u |
1627 |
1437 |
0.883 |
228 |
2300 |
|
|
15 |
A2u |
1077 |
1030 |
0.957 |
228 |
2301 |
|
|
16 |
A2u |
533 |
523 |
0.980 |
228 |
2302 |
|
|
17 |
Eg |
3380 |
2930 |
0.867 |
228 |
2303 |
|
|
18 |
Eg |
3269 |
2897 |
0.886 |
228 |
2304 |
|
|
19 |
Eg |
1623 |
1443 |
0.889 |
228 |
2305 |
|
|
20 |
Eg |
1481 |
1347 |
0.910 |
228 |
2306 |
|
|
21 |
Eg |
1359 |
1266 |
0.931 |
228 |
2307 |
|
|
22 |
Eg |
1106 |
1027 |
0.929 |
228 |
2308 |
|
|
23 |
Eg |
840 |
785 |
0.934 |
228 |
2309 |
|
|
24 |
Eg |
436 |
426 |
0.978 |
228 |
2310 |
|
|
25 |
Eu |
3371 |
2933 |
0.870 |
228 |
2311 |
|
|
26 |
Eu |
3269 |
2863 |
0.876 |
228 |
2312 |
|
|
27 |
Eu |
1631 |
1457 |
0.893 |
228 |
2313 |
|
|
28 |
Eu |
1477 |
1355 |
0.917 |
228 |
2314 |
|
|
29 |
Eu |
1357 |
1261 |
0.929 |
228 |
2315 |
|
|
30 |
Eu |
972 |
907 |
0.933 |
228 |
2316 |
|
|
31 |
Eu |
927 |
863 |
0.931 |
228 |
2317 |
|
|
32 |
Eu |
222 |
248 |
1.118 |
228 |
2318 |
C6H14 |
Hexane |
1 |
Ag |
3415 |
2966 |
0.869 |
229 |
2319 |
|
|
2 |
Ag |
3273 |
2877 |
0.879 |
229 |
2320 |
|
|
3 |
Ag |
3260 |
2863 |
0.878 |
229 |
2321 |
|
|
4 |
Ag |
3246 |
2852 |
0.879 |
229 |
2322 |
|
|
5 |
Ag |
1660 |
1460 |
0.880 |
229 |
2323 |
|
|
6 |
Ag |
1638 |
1460 |
0.891 |
229 |
2324 |
|
|
7 |
Ag |
1625 |
1440 |
0.886 |
229 |
2325 |
|
|
8 |
Ag |
1535 |
1397 |
0.910 |
229 |
2326 |
|
|
9 |
Ag |
1509 |
1366 |
0.905 |
229 |
2327 |
|
|
10 |
Ag |
1424 |
1305 |
0.917 |
229 |
2328 |
|
|
11 |
Ag |
1220 |
1140 |
0.934 |
229 |
2329 |
|
|
12 |
Ag |
1133 |
1065 |
0.940 |
229 |
2330 |
|
|
13 |
Ag |
1085 |
1007 |
0.928 |
229 |
2331 |
|
|
14 |
Ag |
966 |
901 |
0.933 |
229 |
2332 |
|
|
15 |
Ag |
369 |
371 |
1.004 |
229 |
2333 |
|
|
16 |
Ag |
298 |
305 |
1.022 |
229 |
2334 |
|
|
17 |
Au |
3416 |
2967 |
0.869 |
229 |
2335 |
|
|
18 |
Au |
3387 |
2936 |
0.867 |
229 |
2336 |
|
|
19 |
Au |
3368 |
2920 |
0.867 |
229 |
2337 |
|
|
20 |
Au |
1650 |
1460 |
0.885 |
229 |
2338 |
|
|
21 |
Au |
1404 |
1303 |
0.928 |
229 |
2339 |
|
|
22 |
Au |
1334 |
1222 |
0.916 |
229 |
2340 |
|
|
23 |
Au |
1081 |
1010 |
0.934 |
229 |
2341 |
|
|
24 |
Au |
855 |
824 |
0.964 |
229 |
2342 |
|
|
25 |
Au |
762 |
726 |
0.953 |
229 |
2343 |
|
|
26 |
Au |
241 |
216 |
0.896 |
229 |
2344 |
|
|
27 |
Au |
99 |
94 |
0.946 |
229 |
2345 |
|
|
28 |
Au |
68 |
61 |
0.892 |
229 |
2346 |
|
|
29 |
Bg |
3416 |
2966 |
0.868 |
229 |
2347 |
|
|
30 |
Bg |
3378 |
2908 |
0.861 |
229 |
2348 |
|
|
31 |
Bg |
3360 |
2908 |
0.866 |
229 |
2349 |
|
|
32 |
Bg |
1650 |
1460 |
0.885 |
229 |
2350 |
|
|
33 |
Bg |
1404 |
1305 |
0.930 |
229 |
2351 |
|
|
34 |
Bg |
1383 |
1283 |
0.928 |
229 |
2352 |
|
|
35 |
Bg |
1284 |
1168 |
0.910 |
229 |
2353 |
|
|
36 |
Bg |
964 |
894 |
0.927 |
229 |
2354 |
|
|
37 |
Bg |
785 |
740 |
0.943 |
229 |
2355 |
|
|
38 |
Bg |
231 |
208 |
0.900 |
229 |
2356 |
|
|
39 |
Bg |
139 |
125 |
0.899 |
229 |
2357 |
|
|
40 |
Bu |
3415 |
2967 |
0.869 |
229 |
2358 |
|
|
41 |
Bu |
3277 |
2884 |
0.880 |
229 |
2359 |
|
|
42 |
Bu |
3267 |
2867 |
0.878 |
229 |
2360 |
|
|
43 |
Bu |
3246 |
2851 |
0.878 |
229 |
2361 |
|
|
44 |
Bu |
1662 |
1476 |
0.888 |
229 |
2362 |
|
|
45 |
Bu |
1651 |
1465 |
0.887 |
229 |
2363 |
|
|
46 |
Bu |
1628 |
1452 |
0.892 |
229 |
2364 |
|
|
47 |
Bu |
1534 |
1387 |
0.904 |
229 |
2365 |
|
|
48 |
Bu |
1483 |
1375 |
0.927 |
229 |
2366 |
|
|
49 |
Bu |
1346 |
1249 |
0.928 |
229 |
2367 |
|
|
50 |
Bu |
1146 |
1061 |
0.926 |
229 |
2368 |
|
|
51 |
Bu |
1123 |
1035 |
0.921 |
229 |
2369 |
|
|
52 |
Bu |
952 |
888 |
0.933 |
229 |
2370 |
|
|
53 |
Bu |
468 |
470 |
1.005 |
229 |
2371 |
|
|
54 |
Bu |
135 |
139 |
1.033 |
229 |
2372 |