H2 |
Hydrogen diatomic |
1 |
Σg |
4265 |
4161 |
0.976 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1346 |
1360 |
1.010 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
331 |
346 |
1.047 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1142 |
1133 |
0.992 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
157 |
158 |
1.003 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
1983 |
1987 |
1.002 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1382 |
1432 |
1.036 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2229 |
2269 |
1.018 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1568 |
1625 |
1.037 |
9 |
9 |
C2 |
Carbon diatomic |
1 |
Σg |
1851 |
1827 |
0.987 |
10 |
10 |
SiH |
Silylidyne |
1 |
Σ |
1943 |
1971 |
1.015 |
11 |
11 |
CN |
Cyano radical |
1 |
Σ |
2080 |
2042 |
0.982 |
12 |
12 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2348 |
2330 |
0.992 |
13 |
13 |
PH |
phosphorus monohydride |
1 |
Σ |
2283 |
2276 |
0.997 |
14 |
14 |
|
|
1 |
Σ |
2284 |
2319 |
1.015 |
14 |
15 |
PN |
Phosphorus mononitride |
1 |
Σ |
1305 |
1323 |
1.014 |
15 |
16 |
P2 |
Phosphorus diatomic |
1 |
Σg |
770 |
775 |
1.007 |
16 |
17 |
OH |
Hydroxyl radical |
1 |
Σ |
3578 |
3570 |
0.998 |
17 |
18 |
LiO |
lithium oxide |
1 |
Σ |
776 |
799 |
1.030 |
18 |
19 |
BeO |
beryllium oxide |
1 |
Σ |
1426 |
1435 |
1.006 |
19 |
20 |
BO |
boron monoxide |
1 |
Σ |
1812 |
1862 |
1.028 |
20 |
21 |
CO |
Carbon monoxide |
1 |
Σ |
2103 |
2143 |
1.019 |
21 |
22 |
NaO |
sodium monoxide |
1 |
Σ |
463 |
|
|
22 |
23 |
MgO |
magnesium oxide |
1 |
Σ |
793 |
775 |
0.977 |
23 |
24 |
SiO |
Silicon monoxide |
1 |
Σ |
1133 |
1230 |
1.086 |
24 |
25 |
HS |
Mercapto radical |
1 |
Σ |
2607 |
2599 |
0.997 |
25 |
26 |
BeS |
beryllium sulfide |
1 |
Σ |
974 |
986 |
1.012 |
26 |
27 |
CS |
carbon monosulfide |
1 |
Σ |
1250 |
1272 |
1.018 |
27 |
28 |
SO |
Sulfur monoxide |
1 |
Σ |
1068 |
1138 |
1.065 |
28 |
29 |
|
|
1 |
Σ |
1062 |
1054 |
0.993 |
28 |
30 |
MgS |
magnesium sulfide |
1 |
Σ |
512 |
523 |
1.023 |
29 |
31 |
SiS |
silicon monosulfide |
1 |
Σ |
710 |
744 |
1.049 |
30 |
32 |
S2 |
Sulfur diatomic |
1 |
Σg |
687 |
720 |
1.049 |
31 |
33 |
HF |
Hydrogen fluoride |
1 |
Σ |
3936 |
3961 |
1.006 |
32 |
34 |
LiF |
lithium fluoride |
1 |
Σ |
859 |
896 |
1.043 |
33 |
35 |
CF |
Fluoromethylidyne |
1 |
Σ |
1207 |
1286 |
1.065 |
34 |
36 |
F2 |
Fluorine diatomic |
1 |
Σg |
968 |
894 |
0.923 |
35 |
37 |
NaF |
sodium fluoride |
1 |
Σ |
511 |
529 |
1.034 |
36 |
38 |
AlF |
Aluminum monofluoride |
1 |
Σ |
706 |
793 |
1.122 |
37 |
39 |
SiF |
silicon monofluoride |
1 |
Σ |
761 |
848 |
1.114 |
38 |
40 |
SF |
Monosulfur monofluoride |
1 |
Σ |
792 |
829 |
1.047 |
39 |
41 |
HCl |
Hydrogen chloride |
1 |
Σ |
2865 |
2886 |
1.007 |
40 |
42 |
LiCl |
lithium chloride |
1 |
Σ |
615 |
634 |
1.031 |
41 |
43 |
BCl |
boron monochloride |
1 |
Σ |
796 |
829 |
1.043 |
42 |
44 |
ClO |
Monochlorine monoxide |
1 |
Σ |
846 |
843 |
0.995 |
43 |
45 |
ClF |
Chlorine monofluoride |
1 |
Σ |
761 |
773 |
1.016 |
44 |
46 |
NaCl |
Sodium Chloride |
1 |
Σ |
348 |
361 |
1.037 |
45 |
47 |
AlCl |
Aluminum monochloride |
1 |
Σ |
437 |
478 |
1.093 |
46 |
48 |
SCl |
sulfur monochloride |
1 |
Σ |
552 |
577 |
1.046 |
47 |
49 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
521 |
554 |
1.064 |
48 |
50 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2210 |
2159 |
0.977 |
49 |
51 |
|
|
3 |
Πu |
726 |
698 |
0.962 |
49 |
52 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1573 |
1572 |
0.999 |
50 |
53 |
|
|
3 |
Πu |
426 |
440 |
1.032 |
50 |
54 |
SiH2 |
silicon dihydride |
1 |
A1 |
1963 |
1996 |
1.017 |
51 |
55 |
|
|
2 |
A1 |
964 |
999 |
1.036 |
51 |
56 |
|
|
3 |
B2 |
1972 |
1993 |
1.011 |
51 |
57 |
NH2 |
Amino radical |
1 |
A1 |
3245 |
3219 |
0.992 |
52 |
58 |
|
|
2 |
A1 |
1479 |
1497 |
1.012 |
52 |
59 |
|
|
3 |
B2 |
3344 |
3301 |
0.987 |
52 |
60 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3370 |
3312 |
0.983 |
53 |
61 |
|
|
2 |
Σ |
2108 |
2089 |
0.991 |
53 |
62 |
|
|
3 |
Π |
697 |
712 |
1.021 |
53 |
63 |
HCP |
HCP |
1 |
Σ |
3269 |
3217 |
0.984 |
54 |
64 |
|
|
2 |
Σ |
1284 |
1278 |
0.996 |
54 |
65 |
|
|
3 |
Π |
653 |
674 |
1.033 |
54 |
66 |
HPO |
HPO |
1 |
A' |
2024 |
2095 |
1.035 |
55 |
67 |
|
|
2 |
A' |
1105 |
1188 |
1.075 |
55 |
68 |
|
|
3 |
A' |
936 |
986 |
1.053 |
55 |
69 |
H2O |
Water |
1 |
A1 |
3689 |
3657 |
0.991 |
56 |
70 |
|
|
2 |
A1 |
1585 |
1595 |
1.006 |
56 |
71 |
|
|
3 |
B2 |
3802 |
3756 |
0.988 |
56 |
72 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1190 |
1246 |
1.046 |
57 |
73 |
HBO |
Boron hydride oxide |
1 |
Σ |
2831 |
2850 |
1.007 |
58 |
74 |
|
|
2 |
Σ |
1772 |
1826 |
1.030 |
58 |
75 |
|
|
3 |
Π |
740 |
756 |
1.021 |
58 |
76 |
HNO |
Nitrosyl hydride |
1 |
A' |
2656 |
2684 |
1.010 |
59 |
77 |
|
|
2 |
A' |
1608 |
1565 |
0.973 |
59 |
78 |
|
|
3 |
A' |
1494 |
1501 |
1.004 |
59 |
79 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3412 |
3436 |
1.007 |
60 |
80 |
|
|
2 |
A' |
1387 |
1392 |
1.004 |
60 |
81 |
|
|
3 |
A' |
1115 |
1098 |
0.984 |
60 |
82 |
CO2 |
Carbon dioxide |
1 |
Σg |
1307 |
1333 |
1.020 |
61 |
83 |
|
|
2 |
Σu |
2344 |
2349 |
1.002 |
61 |
84 |
|
|
3 |
Πu |
636 |
667 |
1.048 |
61 |
85 |
N2O |
Nitrous oxide |
1 |
Σ |
2284 |
2224 |
0.974 |
62 |
86 |
|
|
2 |
Σ |
1303 |
1285 |
0.987 |
62 |
87 |
|
|
3 |
Π |
573 |
589 |
1.027 |
62 |
88 |
SiO2 |
silicon dioxide |
2 |
Σu |
1326 |
1416 |
1.069 |
63 |
89 |
|
|
3 |
Πu |
268 |
273 |
1.016 |
63 |
90 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2610 |
2615 |
1.002 |
64 |
91 |
|
|
2 |
A1 |
1135 |
1183 |
1.043 |
64 |
92 |
|
|
3 |
B2 |
2632 |
2626 |
0.998 |
64 |
93 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2766 |
2736 |
0.989 |
65 |
94 |
|
|
2 |
Σ |
1160 |
1172 |
1.011 |
65 |
95 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2051 |
2062 |
1.005 |
66 |
96 |
|
|
2 |
Σ |
860 |
859 |
0.999 |
66 |
97 |
|
|
3 |
Π |
490 |
520 |
1.062 |
66 |
98 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1045 |
1151 |
1.102 |
67 |
99 |
|
|
2 |
A1 |
458 |
518 |
1.130 |
67 |
100 |
|
|
3 |
B2 |
1197 |
1362 |
1.138 |
67 |
101 |
CS2 |
Carbon disulfide |
1 |
Σg |
658 |
658 |
1.001 |
68 |
102 |
|
|
2 |
Σu |
1542 |
1535 |
0.995 |
68 |
103 |
|
|
3 |
Πu |
372 |
397 |
1.068 |
68 |
104 |
SSO |
Disulfur monoxide |
1 |
A' |
1066 |
1166 |
1.094 |
69 |
105 |
|
|
2 |
A' |
638 |
679 |
1.065 |
69 |
106 |
|
|
3 |
A' |
342 |
380 |
1.112 |
69 |
107 |
HCF |
Fluoromethylene |
1 |
A' |
2643 |
2643 |
1.000 |
70 |
108 |
|
|
2 |
A' |
1371 |
1403 |
1.024 |
70 |
109 |
|
|
3 |
A' |
1123 |
1189 |
1.059 |
70 |
110 |
HOF |
Hypofluorous acid |
1 |
A' |
3597 |
3578 |
0.995 |
71 |
111 |
|
|
2 |
A' |
1355 |
1362 |
1.006 |
71 |
112 |
|
|
3 |
A' |
927 |
893 |
0.964 |
71 |
113 |
CF2 |
Difluoromethylene |
1 |
A1 |
1135 |
1225 |
1.079 |
72 |
114 |
|
|
2 |
A1 |
621 |
667 |
1.075 |
72 |
115 |
|
|
3 |
B2 |
1014 |
1114 |
1.099 |
72 |
116 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1882 |
1844 |
0.980 |
73 |
117 |
|
|
2 |
A' |
757 |
766 |
1.012 |
73 |
118 |
|
|
3 |
A' |
495 |
520 |
1.051 |
73 |
119 |
F2O |
Difluorine monoxide |
1 |
A1 |
962 |
928 |
0.965 |
74 |
120 |
|
|
2 |
A1 |
444 |
461 |
1.038 |
74 |
121 |
|
|
3 |
B2 |
782 |
831 |
1.063 |
74 |
122 |
HOCl |
hypochlorous acid |
1 |
A' |
3633 |
3609 |
0.993 |
75 |
123 |
|
|
2 |
A' |
1206 |
1239 |
1.027 |
75 |
124 |
|
|
3 |
A' |
715 |
724 |
1.013 |
75 |
125 |
ClCN |
chlorocyanogen |
1 |
Σ |
2213 |
2216 |
1.001 |
76 |
126 |
|
|
2 |
Σ |
731 |
744 |
1.018 |
76 |
127 |
|
|
3 |
Π |
373 |
378 |
1.013 |
76 |
128 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1844 |
1800 |
0.976 |
77 |
129 |
|
|
2 |
A' |
596 |
596 |
1.000 |
77 |
130 |
|
|
3 |
A' |
327 |
332 |
1.016 |
77 |
131 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
638 |
639 |
1.002 |
78 |
132 |
|
|
2 |
A1 |
274 |
296 |
1.080 |
78 |
133 |
|
|
3 |
B2 |
577 |
686 |
1.188 |
78 |
134 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
485 |
522 |
1.076 |
79 |
135 |
|
|
2 |
A1 |
178 |
201 |
1.129 |
79 |
136 |
|
|
3 |
B2 |
478 |
509 |
1.065 |
79 |
137 |
BH3 |
boron trihydride |
2 |
A2" |
1113 |
1148 |
1.031 |
80 |
138 |
|
|
3 |
E' |
2633 |
2602 |
0.988 |
80 |
139 |
|
|
4 |
E' |
1138 |
1197 |
1.052 |
80 |
140 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1845 |
1900 |
1.030 |
81 |
141 |
|
|
2 |
A2" |
684 |
698 |
1.020 |
81 |
142 |
|
|
3 |
E' |
1862 |
1883 |
1.011 |
81 |
143 |
|
|
4 |
E' |
754 |
783 |
1.039 |
81 |
144 |
C2H2 |
Acetylene |
1 |
Σg |
3455 |
3374 |
0.977 |
82 |
145 |
|
|
2 |
Σg |
2005 |
1974 |
0.985 |
82 |
146 |
|
|
3 |
Σu |
3353 |
3289 |
0.981 |
82 |
147 |
|
|
4 |
Πg |
498 |
612 |
1.229 |
82 |
148 |
|
|
5 |
Πu |
697 |
730 |
1.047 |
82 |
149 |
SiH3 |
Silyl radical |
1 |
A1 |
2113 |
2136 |
1.011 |
83 |
150 |
|
|
2 |
A1 |
697 |
728 |
1.045 |
83 |
151 |
|
|
3 |
E |
2162 |
2185 |
1.011 |
83 |
152 |
|
|
4 |
E |
885 |
922 |
1.042 |
83 |
153 |
NH3 |
Ammonia |
1 |
A1 |
3371 |
3337 |
0.990 |
84 |
154 |
|
|
2 |
A1 |
1017 |
950 |
0.934 |
84 |
155 |
|
|
3 |
E |
3504 |
3444 |
0.983 |
84 |
156 |
|
|
4 |
E |
1594 |
1627 |
1.020 |
84 |
157 |
C2N2 |
Cyanogen |
1 |
Σg |
2330 |
2330 |
1.000 |
85 |
158 |
|
|
2 |
Σg |
873 |
846 |
0.969 |
85 |
159 |
|
|
3 |
Σu |
2159 |
2158 |
1.000 |
85 |
160 |
|
|
4 |
Πg |
523 |
503 |
0.961 |
85 |
161 |
|
|
5 |
Πu |
237 |
234 |
0.986 |
85 |
162 |
PH3 |
Phosphine |
1 |
A1 |
2311 |
2323 |
1.005 |
86 |
163 |
|
|
2 |
A1 |
962 |
992 |
1.031 |
86 |
164 |
|
|
3 |
E |
2333 |
2328 |
0.998 |
86 |
165 |
|
|
4 |
E |
1076 |
1118 |
1.039 |
86 |
166 |
P4 |
Phosphorus tetramer |
1 |
A1 |
595 |
601 |
1.010 |
87 |
167 |
|
|
2 |
E |
361 |
361 |
1.000 |
87 |
168 |
|
|
3 |
T2 |
451 |
467 |
1.034 |
87 |
169 |
H2CO |
Formaldehyde |
1 |
A1 |
2801 |
2782 |
0.993 |
88 |
170 |
|
|
2 |
A1 |
1752 |
1746 |
0.997 |
88 |
171 |
|
|
3 |
A1 |
1465 |
1500 |
1.024 |
88 |
172 |
|
|
4 |
B1 |
1147 |
1167 |
1.017 |
88 |
173 |
|
|
5 |
B2 |
2859 |
2843 |
0.994 |
88 |
174 |
|
|
6 |
B2 |
1204 |
1249 |
1.038 |
88 |
175 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3627 |
3599 |
0.992 |
89 |
176 |
|
|
2 |
A |
1385 |
1402 |
1.012 |
89 |
177 |
|
|
3 |
A |
898 |
877 |
0.977 |
89 |
178 |
|
|
4 |
A |
381 |
371 |
0.974 |
89 |
179 |
|
|
5 |
B |
3627 |
3608 |
0.995 |
89 |
180 |
|
|
6 |
B |
1281 |
1266 |
0.988 |
89 |
181 |
HNCO |
Isocyanic acid |
1 |
A' |
3582 |
3538 |
0.988 |
90 |
182 |
|
|
2 |
A' |
2269 |
2269 |
1.000 |
90 |
183 |
|
|
3 |
A' |
1281 |
1327 |
1.036 |
90 |
184 |
|
|
4 |
A' |
804 |
777 |
0.966 |
90 |
185 |
|
|
5 |
A' |
551 |
577 |
1.048 |
90 |
186 |
|
|
6 |
A" |
601 |
656 |
1.093 |
90 |
187 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2031 |
2060 |
1.014 |
91 |
188 |
|
|
2 |
Σg |
605 |
585 |
0.967 |
91 |
189 |
|
|
3 |
Σu |
1859 |
1898 |
1.021 |
91 |
190 |
|
|
4 |
Πg |
474 |
410 |
0.865 |
91 |
191 |
|
|
5 |
Πu |
197 |
213 |
1.081 |
91 |
192 |
H2CS |
Thioformaldehyde |
1 |
A1 |
2988 |
2971 |
0.994 |
92 |
193 |
|
|
2 |
A1 |
1427 |
1456 |
1.020 |
92 |
194 |
|
|
3 |
A1 |
1064 |
1059 |
0.995 |
92 |
195 |
|
|
4 |
B1 |
992 |
990 |
0.999 |
92 |
196 |
|
|
5 |
B2 |
3081 |
3025 |
0.982 |
92 |
197 |
|
|
6 |
B2 |
968 |
991 |
1.024 |
92 |
198 |
H2S2 |
Disulfane |
1 |
A |
2555 |
2556 |
1.000 |
93 |
199 |
|
|
2 |
A |
847 |
882 |
1.042 |
93 |
200 |
|
|
3 |
A |
491 |
515 |
1.047 |
93 |
201 |
|
|
4 |
A |
426 |
417 |
0.980 |
93 |
202 |
|
|
5 |
B |
2558 |
2559 |
1.000 |
93 |
203 |
|
|
6 |
B |
844 |
878 |
1.040 |
93 |
204 |
SO3 |
Sulfur trioxide |
1 |
A1' |
944 |
1065 |
1.128 |
94 |
205 |
|
|
2 |
A2" |
431 |
498 |
1.156 |
94 |
206 |
|
|
3 |
E' |
1246 |
1391 |
1.116 |
94 |
207 |
|
|
4 |
E' |
446 |
530 |
1.188 |
94 |
208 |
BHF2 |
Difluoroborane |
1 |
A1 |
2655 |
2621 |
0.987 |
95 |
209 |
|
|
2 |
A1 |
1091 |
1164 |
1.067 |
95 |
210 |
|
|
3 |
A1 |
491 |
542 |
1.104 |
95 |
211 |
|
|
4 |
B1 |
882 |
924 |
1.047 |
95 |
212 |
|
|
5 |
B2 |
1322 |
1402 |
1.061 |
95 |
213 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1896 |
1928 |
1.017 |
96 |
214 |
|
|
2 |
A1 |
908 |
965 |
1.062 |
96 |
215 |
|
|
3 |
A1 |
544 |
584 |
1.074 |
96 |
216 |
|
|
4 |
B1 |
733 |
774 |
1.055 |
96 |
217 |
|
|
5 |
B2 |
1145 |
1249 |
1.091 |
96 |
218 |
|
|
6 |
B2 |
576 |
626 |
1.086 |
96 |
219 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
826 |
888 |
1.075 |
97 |
220 |
|
|
2 |
A2" |
672 |
691 |
1.029 |
97 |
221 |
|
|
3 |
E' |
1371 |
1449 |
1.057 |
97 |
222 |
|
|
4 |
E' |
440 |
480 |
1.092 |
97 |
223 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1520 |
1523 |
1.002 |
98 |
224 |
|
|
2 |
Ag |
972 |
1018 |
1.047 |
98 |
225 |
|
|
3 |
Ag |
580 |
603 |
1.039 |
98 |
226 |
|
|
4 |
Au |
346 |
364 |
1.052 |
98 |
227 |
|
|
5 |
Bu |
948 |
991 |
1.045 |
98 |
228 |
|
|
6 |
Bu |
397 |
423 |
1.066 |
98 |
229 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
995 |
1032 |
1.037 |
99 |
230 |
|
|
2 |
A1 |
598 |
647 |
1.083 |
99 |
231 |
|
|
3 |
E |
794 |
907 |
1.142 |
99 |
232 |
|
|
4 |
E |
445 |
492 |
1.105 |
99 |
233 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
635 |
690 |
1.087 |
100 |
234 |
|
|
2 |
A2" |
274 |
297 |
1.086 |
100 |
235 |
|
|
3 |
E' |
885 |
935 |
1.057 |
100 |
236 |
|
|
4 |
E' |
231 |
263 |
1.137 |
100 |
237 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
806 |
892 |
1.107 |
101 |
238 |
|
|
2 |
A1 |
399 |
487 |
1.220 |
101 |
239 |
|
|
3 |
E |
780 |
860 |
1.103 |
101 |
240 |
|
|
4 |
E |
284 |
344 |
1.212 |
101 |
241 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2635 |
2617 |
0.993 |
102 |
242 |
|
|
2 |
A1 |
718 |
740 |
1.031 |
102 |
243 |
|
|
4 |
B1 |
748 |
784 |
1.048 |
102 |
244 |
|
|
5 |
B2 |
1042 |
1089 |
1.045 |
102 |
245 |
|
|
6 |
B2 |
878 |
892 |
1.016 |
102 |
246 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1322 |
1267 |
0.958 |
103 |
247 |
|
|
2 |
A1 |
765 |
793 |
1.036 |
103 |
248 |
|
|
3 |
A1 |
353 |
364 |
1.031 |
103 |
249 |
|
|
4 |
B1 |
634 |
652 |
1.028 |
103 |
250 |
|
|
5 |
B2 |
1772 |
1684 |
0.950 |
103 |
251 |
|
|
6 |
B2 |
385 |
408 |
1.060 |
103 |
252 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
676 |
752 |
1.112 |
104 |
253 |
|
|
2 |
A1 |
497 |
529 |
1.065 |
104 |
254 |
|
|
3 |
A1 |
240 |
328 |
1.368 |
104 |
255 |
|
|
4 |
B1 |
298 |
328 |
1.100 |
104 |
256 |
|
|
5 |
B2 |
693 |
702 |
1.013 |
104 |
257 |
|
|
6 |
B2 |
343 |
442 |
1.290 |
104 |
258 |
CCl2O |
Phosgene |
1 |
A1 |
1809 |
1827 |
1.010 |
105 |
259 |
|
|
2 |
A1 |
551 |
567 |
1.028 |
105 |
260 |
|
|
3 |
A1 |
292 |
285 |
0.975 |
105 |
261 |
|
|
4 |
B1 |
562 |
580 |
1.032 |
105 |
262 |
|
|
5 |
B2 |
793 |
849 |
1.070 |
105 |
263 |
|
|
6 |
B2 |
418 |
440 |
1.053 |
105 |
264 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
764 |
820 |
1.073 |
106 |
265 |
|
|
2 |
A1 |
475 |
500 |
1.052 |
106 |
266 |
|
|
3 |
A1 |
217 |
250 |
1.152 |
106 |
267 |
|
|
4 |
B1 |
245 |
260 |
1.062 |
106 |
268 |
|
|
5 |
B2 |
875 |
900 |
1.028 |
106 |
269 |
|
|
6 |
B2 |
171 |
200 |
1.170 |
106 |
270 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
461 |
471 |
1.022 |
107 |
271 |
|
|
2 |
A2" |
433 |
460 |
1.062 |
107 |
272 |
|
|
3 |
E' |
935 |
956 |
1.023 |
107 |
273 |
|
|
4 |
E' |
245 |
243 |
0.990 |
107 |
274 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
818 |
850 |
1.039 |
108 |
275 |
|
|
2 |
A1 |
407 |
450 |
1.106 |
108 |
276 |
|
|
3 |
A1 |
139 |
150 |
1.079 |
108 |
277 |
|
|
4 |
B1 |
222 |
220 |
0.990 |
108 |
278 |
|
|
5 |
B2 |
601 |
610 |
1.015 |
108 |
279 |
|
|
6 |
B2 |
185 |
200 |
1.082 |
108 |
280 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
359 |
375 |
1.043 |
109 |
281 |
|
|
2 |
A2" |
198 |
183 |
0.926 |
109 |
282 |
|
|
3 |
E' |
591 |
595 |
1.007 |
109 |
283 |
|
|
4 |
E' |
134 |
150 |
1.121 |
109 |
284 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
484 |
504 |
1.041 |
110 |
285 |
|
|
2 |
A1 |
232 |
252 |
1.084 |
110 |
286 |
|
|
3 |
E |
464 |
482 |
1.039 |
110 |
287 |
|
|
4 |
E |
168 |
198 |
1.181 |
110 |
288 |
CH4 |
Methane |
1 |
A1 |
2970 |
2917 |
0.982 |
111 |
289 |
|
|
2 |
E |
1475 |
1534 |
1.040 |
111 |
290 |
|
|
3 |
T2 |
3100 |
3019 |
0.974 |
111 |
291 |
|
|
4 |
T2 |
1250 |
1306 |
1.044 |
111 |
292 |
SiH4 |
Silane |
1 |
A1 |
2153 |
2187 |
1.016 |
112 |
293 |
|
|
2 |
E |
933 |
975 |
1.045 |
112 |
294 |
|
|
3 |
T2 |
2171 |
2191 |
1.009 |
112 |
295 |
|
|
4 |
T2 |
855 |
914 |
1.069 |
112 |
296 |
CH2NH |
Methanimine |
1 |
A' |
3330 |
3263 |
0.980 |
113 |
297 |
|
|
2 |
A' |
3054 |
3024 |
0.990 |
113 |
298 |
|
|
3 |
A' |
2943 |
2914 |
0.990 |
113 |
299 |
|
|
4 |
A' |
1652 |
1638 |
0.991 |
113 |
300 |
|
|
5 |
A' |
1431 |
1452 |
1.014 |
113 |
301 |
|
|
6 |
A' |
1319 |
1344 |
1.019 |
113 |
302 |
|
|
7 |
A' |
1034 |
1058 |
1.024 |
113 |
303 |
|
|
8 |
A" |
1125 |
1127 |
1.002 |
113 |
304 |
|
|
9 |
A" |
1052 |
1061 |
1.008 |
113 |
305 |
CH2CO |
Ketene |
1 |
A1 |
3126 |
3070 |
0.982 |
114 |
306 |
|
|
2 |
A1 |
2163 |
2152 |
0.995 |
114 |
307 |
|
|
3 |
A1 |
1341 |
1388 |
1.035 |
114 |
308 |
|
|
4 |
A1 |
1133 |
1118 |
0.986 |
114 |
309 |
|
|
5 |
B1 |
559 |
588 |
1.051 |
114 |
310 |
|
|
6 |
B1 |
493 |
528 |
1.072 |
114 |
311 |
|
|
7 |
B2 |
3229 |
3166 |
0.981 |
114 |
312 |
|
|
8 |
B2 |
933 |
977 |
1.047 |
114 |
313 |
|
|
9 |
B2 |
416 |
433 |
1.042 |
114 |
314 |
HCOOH |
Formic acid |
1 |
A' |
3586 |
3570 |
0.995 |
115 |
315 |
|
|
2 |
A' |
2981 |
2943 |
0.987 |
115 |
316 |
|
|
3 |
A' |
1752 |
1770 |
1.011 |
115 |
317 |
|
|
4 |
A' |
1338 |
1387 |
1.037 |
115 |
318 |
|
|
5 |
A' |
1252 |
1229 |
0.981 |
115 |
319 |
|
|
6 |
A' |
1082 |
1105 |
1.021 |
115 |
320 |
|
|
7 |
A' |
598 |
625 |
1.045 |
115 |
321 |
|
|
8 |
A" |
999 |
1033 |
1.035 |
115 |
322 |
|
|
9 |
A" |
679 |
638 |
0.940 |
115 |
323 |
HNO3 |
Nitric acid |
1 |
A' |
3598 |
3550 |
0.987 |
116 |
324 |
|
|
2 |
A' |
1727 |
1708 |
0.989 |
116 |
325 |
|
|
3 |
A' |
1306 |
1331 |
1.019 |
116 |
326 |
|
|
4 |
A' |
1264 |
1325 |
1.048 |
116 |
327 |
|
|
5 |
A' |
837 |
879 |
1.050 |
116 |
328 |
|
|
6 |
A' |
596 |
647 |
1.085 |
116 |
329 |
|
|
7 |
A' |
546 |
579 |
1.060 |
116 |
330 |
|
|
8 |
A" |
741 |
762 |
1.028 |
116 |
331 |
|
|
9 |
A" |
488 |
456 |
0.934 |
116 |
332 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2189 |
2196 |
1.003 |
117 |
333 |
|
|
2 |
Σg |
759 |
786 |
1.035 |
117 |
334 |
|
|
3 |
Σu |
2372 |
2258 |
0.952 |
117 |
335 |
|
|
4 |
Σu |
1581 |
1573 |
0.995 |
117 |
336 |
|
|
5 |
Πg |
545 |
573 |
1.051 |
117 |
337 |
|
|
6 |
Πu |
483 |
550 |
1.139 |
117 |
338 |
|
|
7 |
Πu |
15 |
61 |
4.106 |
117 |
339 |
CH3F |
Methyl fluoride |
1 |
A1 |
2965 |
2930 |
0.988 |
118 |
340 |
|
|
2 |
A1 |
1394 |
1464 |
1.050 |
118 |
341 |
|
|
3 |
A1 |
1006 |
1049 |
1.043 |
118 |
342 |
|
|
4 |
E |
3064 |
3006 |
0.981 |
118 |
343 |
|
|
5 |
E |
1406 |
1467 |
1.043 |
118 |
344 |
|
|
6 |
E |
1131 |
1182 |
1.045 |
118 |
345 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
2979 |
2948 |
0.990 |
119 |
346 |
|
|
2 |
A1 |
1435 |
1508 |
1.051 |
119 |
347 |
|
|
3 |
A1 |
1058 |
1111 |
1.050 |
119 |
348 |
|
|
4 |
A1 |
493 |
529 |
1.073 |
119 |
349 |
|
|
5 |
A2 |
1197 |
1262 |
1.054 |
119 |
350 |
|
|
6 |
B1 |
3061 |
3014 |
0.985 |
119 |
351 |
|
|
7 |
B1 |
1118 |
1178 |
1.054 |
119 |
352 |
|
|
8 |
B2 |
1364 |
1435 |
1.052 |
119 |
353 |
|
|
9 |
B2 |
1015 |
1090 |
1.074 |
119 |
354 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3055 |
3036 |
0.994 |
120 |
355 |
|
|
2 |
A1 |
1073 |
1117 |
1.041 |
120 |
356 |
|
|
3 |
A1 |
652 |
700 |
1.074 |
120 |
357 |
|
|
4 |
E |
1294 |
1372 |
1.060 |
120 |
358 |
|
|
5 |
E |
1072 |
1152 |
1.075 |
120 |
359 |
|
|
6 |
E |
468 |
507 |
1.083 |
120 |
360 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
850 |
909 |
1.069 |
121 |
361 |
|
|
2 |
E |
398 |
435 |
1.092 |
121 |
362 |
|
|
3 |
T2 |
1176 |
1283 |
1.091 |
121 |
363 |
|
|
4 |
T2 |
583 |
631 |
1.083 |
121 |
364 |
SiH3F |
monofluorosilane |
1 |
A1 |
2162 |
2206 |
1.020 |
122 |
365 |
|
|
2 |
A1 |
921 |
990 |
1.075 |
122 |
366 |
|
|
3 |
A1 |
790 |
872 |
1.103 |
122 |
367 |
|
|
4 |
E |
2182 |
2196 |
1.006 |
122 |
368 |
|
|
5 |
E |
907 |
956 |
1.054 |
122 |
369 |
|
|
6 |
E |
676 |
728 |
1.076 |
122 |
370 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
704 |
800 |
1.136 |
123 |
371 |
|
|
2 |
E |
219 |
268 |
1.225 |
123 |
372 |
|
|
3 |
T2 |
940 |
1032 |
1.098 |
123 |
373 |
|
|
4 |
T2 |
330 |
389 |
1.178 |
123 |
374 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1291 |
1417 |
1.098 |
124 |
375 |
|
|
2 |
A1 |
760 |
873 |
1.148 |
124 |
376 |
|
|
3 |
A1 |
403 |
472 |
1.171 |
124 |
377 |
|
|
4 |
E |
881 |
991 |
1.125 |
124 |
378 |
|
|
5 |
E |
393 |
482 |
1.226 |
124 |
379 |
|
|
6 |
E |
272 |
336 |
1.234 |
124 |
380 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3001 |
2966 |
0.988 |
125 |
381 |
|
|
2 |
A1 |
1292 |
1355 |
1.048 |
125 |
382 |
|
|
3 |
A1 |
712 |
732 |
1.029 |
125 |
383 |
|
|
4 |
E |
3115 |
3042 |
0.977 |
125 |
384 |
|
|
5 |
E |
1393 |
1455 |
1.044 |
125 |
385 |
|
|
6 |
E |
977 |
1015 |
1.039 |
125 |
386 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2164 |
2201 |
1.017 |
126 |
387 |
|
|
2 |
A1 |
885 |
949 |
1.072 |
126 |
388 |
|
|
3 |
A1 |
516 |
551 |
1.069 |
126 |
389 |
|
|
4 |
E |
2187 |
2195 |
1.004 |
126 |
390 |
|
|
5 |
E |
899 |
954 |
1.061 |
126 |
391 |
|
|
6 |
E |
622 |
664 |
1.067 |
126 |
392 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3043 |
2999 |
0.986 |
127 |
393 |
|
|
2 |
A1 |
1367 |
1467 |
1.073 |
127 |
394 |
|
|
3 |
A1 |
692 |
717 |
1.035 |
127 |
395 |
|
|
4 |
A1 |
273 |
282 |
1.032 |
127 |
396 |
|
|
5 |
A2 |
1109 |
1153 |
1.040 |
127 |
397 |
|
|
6 |
B1 |
3133 |
3040 |
0.970 |
127 |
398 |
|
|
7 |
B1 |
861 |
898 |
1.043 |
127 |
399 |
|
|
8 |
B2 |
1208 |
1268 |
1.050 |
127 |
400 |
|
|
9 |
B2 |
706 |
758 |
1.073 |
127 |
401 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1017 |
1105 |
1.087 |
128 |
402 |
|
|
2 |
A1 |
734 |
781 |
1.064 |
128 |
403 |
|
|
3 |
A1 |
445 |
476 |
1.071 |
128 |
404 |
|
|
4 |
E |
1126 |
1212 |
1.077 |
128 |
405 |
|
|
5 |
E |
522 |
563 |
1.079 |
128 |
406 |
|
|
6 |
E |
324 |
350 |
1.079 |
128 |
407 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2183 |
2224 |
1.019 |
129 |
408 |
|
|
2 |
A1 |
888 |
954 |
1.075 |
129 |
409 |
|
|
3 |
A1 |
496 |
527 |
1.063 |
129 |
410 |
|
|
4 |
A1 |
171 |
188 |
1.099 |
129 |
411 |
|
|
5 |
A2 |
661 |
710 |
1.073 |
129 |
412 |
|
|
6 |
B1 |
2208 |
2237 |
1.013 |
129 |
413 |
|
|
7 |
B1 |
556 |
602 |
1.083 |
129 |
414 |
|
|
8 |
B2 |
808 |
876 |
1.084 |
129 |
415 |
|
|
9 |
B2 |
553 |
590 |
1.067 |
129 |
416 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
909 |
1061 |
1.168 |
130 |
417 |
|
|
2 |
A1 |
610 |
715 |
1.172 |
130 |
418 |
|
|
3 |
A1 |
437 |
549 |
1.256 |
130 |
419 |
|
|
4 |
E |
1125 |
1315 |
1.169 |
130 |
420 |
|
|
5 |
E |
467 |
589 |
1.260 |
130 |
421 |
|
|
6 |
E |
306 |
405 |
1.325 |
130 |
422 |
CHCl3 |
Chloroform |
1 |
A1 |
3098 |
3034 |
0.979 |
131 |
423 |
|
|
2 |
A1 |
651 |
680 |
1.044 |
131 |
424 |
|
|
3 |
A1 |
356 |
366 |
1.029 |
131 |
425 |
|
|
4 |
E |
1158 |
1220 |
1.054 |
131 |
426 |
|
|
5 |
E |
711 |
774 |
1.088 |
131 |
427 |
|
|
6 |
E |
251 |
260 |
1.037 |
131 |
428 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1027 |
1101 |
1.073 |
132 |
429 |
|
|
2 |
A1 |
631 |
667 |
1.057 |
132 |
430 |
|
|
3 |
A1 |
430 |
458 |
1.066 |
132 |
431 |
|
|
4 |
A1 |
249 |
262 |
1.054 |
132 |
432 |
|
|
5 |
A2 |
302 |
322 |
1.065 |
132 |
433 |
|
|
6 |
B1 |
836 |
902 |
1.078 |
132 |
434 |
|
|
7 |
B1 |
412 |
437 |
1.061 |
132 |
435 |
|
|
8 |
B2 |
1081 |
1159 |
1.073 |
132 |
436 |
|
|
9 |
B2 |
415 |
446 |
1.074 |
132 |
437 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1018 |
1085 |
1.066 |
133 |
438 |
|
|
2 |
A1 |
514 |
535 |
1.042 |
133 |
439 |
|
|
3 |
A1 |
338 |
350 |
1.034 |
133 |
440 |
|
|
4 |
E |
776 |
847 |
1.092 |
133 |
441 |
|
|
5 |
E |
379 |
394 |
1.039 |
133 |
442 |
|
|
6 |
E |
234 |
241 |
1.032 |
133 |
443 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1074 |
1205 |
1.122 |
134 |
444 |
|
|
2 |
A1 |
494 |
577 |
1.167 |
134 |
445 |
|
|
3 |
A1 |
341 |
408 |
1.195 |
134 |
446 |
|
|
4 |
A1 |
178 |
218 |
1.227 |
134 |
447 |
|
|
5 |
A2 |
233 |
282 |
1.212 |
134 |
448 |
|
|
6 |
B1 |
511 |
586 |
1.146 |
134 |
449 |
|
|
7 |
B1 |
323 |
388 |
1.202 |
134 |
450 |
|
|
8 |
B2 |
1286 |
1434 |
1.115 |
134 |
451 |
|
|
9 |
B2 |
309 |
362 |
1.171 |
134 |
452 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2221 |
2261 |
1.018 |
135 |
453 |
|
|
2 |
A1 |
464 |
499 |
1.076 |
135 |
454 |
|
|
3 |
A1 |
231 |
254 |
1.100 |
135 |
455 |
|
|
4 |
E |
740 |
811 |
1.096 |
135 |
456 |
|
|
5 |
E |
566 |
600 |
1.061 |
135 |
457 |
|
|
6 |
E |
158 |
176 |
1.116 |
135 |
458 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
447 |
459 |
1.028 |
136 |
459 |
|
|
2 |
E |
209 |
217 |
1.040 |
136 |
460 |
|
|
3 |
T2 |
720 |
776 |
1.078 |
136 |
461 |
|
|
4 |
T2 |
305 |
314 |
1.028 |
136 |
462 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1207 |
1322 |
1.095 |
137 |
463 |
|
|
2 |
A1 |
438 |
481 |
1.097 |
137 |
464 |
|
|
3 |
A1 |
238 |
266 |
1.118 |
137 |
465 |
|
|
4 |
E |
536 |
590 |
1.100 |
137 |
466 |
|
|
5 |
E |
292 |
333 |
1.139 |
137 |
467 |
|
|
6 |
E |
168 |
187 |
1.116 |
137 |
468 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
391 |
424 |
1.085 |
138 |
469 |
|
|
2 |
E |
131 |
150 |
1.145 |
138 |
470 |
|
|
3 |
T2 |
584 |
621 |
1.064 |
138 |
471 |
|
|
4 |
T2 |
200 |
221 |
1.104 |
138 |
472 |
C2H4 |
Ethylene |
1 |
Ag |
3083 |
3026 |
0.982 |
139 |
473 |
|
|
2 |
Ag |
1638 |
1623 |
0.991 |
139 |
474 |
|
|
3 |
Ag |
1331 |
1342 |
1.009 |
139 |
475 |
|
|
4 |
Au |
1018 |
1023 |
1.005 |
139 |
476 |
|
|
5 |
B1u |
3069 |
2989 |
0.974 |
139 |
477 |
|
|
6 |
B1u |
1407 |
1444 |
1.026 |
139 |
478 |
|
|
7 |
B2g |
939 |
940 |
1.000 |
139 |
479 |
|
|
8 |
B2u |
3179 |
3105 |
0.977 |
139 |
480 |
|
|
9 |
B2u |
797 |
826 |
1.036 |
139 |
481 |
|
|
10 |
B3g |
3151 |
3086 |
0.979 |
139 |
482 |
|
|
11 |
B3g |
1186 |
1217 |
1.026 |
139 |
483 |
|
|
12 |
B3u |
946 |
949 |
1.004 |
139 |
484 |
N2H4 |
Hydrazine |
1 |
A |
3454 |
3398 |
0.984 |
140 |
485 |
|
|
2 |
A |
3352 |
3329 |
0.993 |
140 |
486 |
|
|
3 |
A |
1615 |
1642 |
1.017 |
140 |
487 |
|
|
4 |
A |
1289 |
1275 |
0.989 |
140 |
488 |
|
|
5 |
A |
1096 |
1076 |
0.981 |
140 |
489 |
|
|
6 |
A |
772 |
780 |
1.011 |
140 |
490 |
|
|
7 |
A |
428 |
377 |
0.881 |
140 |
491 |
|
|
8 |
B |
3459 |
3350 |
0.968 |
140 |
492 |
|
|
9 |
B |
3340 |
3314 |
0.992 |
140 |
493 |
|
|
10 |
B |
1598 |
1628 |
1.019 |
140 |
494 |
|
|
11 |
B |
1250 |
1275 |
1.020 |
140 |
495 |
|
|
12 |
B |
961 |
966 |
1.005 |
140 |
496 |
CH3CN |
Acetonitrile |
1 |
A1 |
2987 |
2954 |
0.989 |
141 |
497 |
|
|
2 |
A1 |
2272 |
2267 |
0.998 |
141 |
498 |
|
|
3 |
A1 |
1324 |
1385 |
1.046 |
141 |
499 |
|
|
4 |
A1 |
926 |
920 |
0.994 |
141 |
500 |
|
|
5 |
E |
3073 |
3009 |
0.979 |
141 |
501 |
|
|
6 |
E |
1389 |
1448 |
1.043 |
141 |
502 |
|
|
7 |
E |
995 |
1041 |
1.047 |
141 |
503 |
|
|
8 |
E |
358 |
362 |
1.013 |
141 |
504 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2290 |
2290 |
1.000 |
142 |
505 |
|
|
2 |
Σg |
2115 |
2119 |
1.002 |
142 |
506 |
|
|
3 |
Σg |
613 |
692 |
1.128 |
142 |
507 |
|
|
4 |
Σu |
2242 |
2241 |
0.999 |
142 |
508 |
|
|
5 |
Σu |
1188 |
1154 |
0.972 |
142 |
509 |
|
|
6 |
Πg |
438 |
504 |
1.152 |
142 |
510 |
|
|
7 |
Πg |
182 |
263 |
1.442 |
142 |
511 |
|
|
8 |
Πu |
480 |
472 |
0.982 |
142 |
512 |
|
|
9 |
Πu |
105 |
107 |
1.017 |
142 |
513 |
CH3OH |
Methyl alcohol |
1 |
A' |
3716 |
3681 |
0.991 |
143 |
514 |
|
|
2 |
A' |
3063 |
3000 |
0.980 |
143 |
515 |
|
|
3 |
A' |
2925 |
2844 |
0.972 |
143 |
516 |
|
|
4 |
A' |
1430 |
1477 |
1.033 |
143 |
517 |
|
|
5 |
A' |
1398 |
1455 |
1.041 |
143 |
518 |
|
|
6 |
A' |
1323 |
1345 |
1.016 |
143 |
519 |
|
|
7 |
A' |
1047 |
1060 |
1.012 |
143 |
520 |
|
|
8 |
A' |
1013 |
1033 |
1.020 |
143 |
521 |
|
|
9 |
A" |
2984 |
2960 |
0.992 |
143 |
522 |
|
|
10 |
A" |
1415 |
1477 |
1.044 |
143 |
523 |
|
|
11 |
A" |
1116 |
1165 |
1.044 |
143 |
524 |
|
|
12 |
A" |
304 |
200 |
0.658 |
143 |
525 |
C2H2O2 |
Ethanedial |
1 |
Ag |
2857 |
2843 |
0.995 |
144 |
526 |
|
|
2 |
Ag |
1722 |
1745 |
1.013 |
144 |
527 |
|
|
3 |
Ag |
1316 |
1338 |
1.017 |
144 |
528 |
|
|
4 |
Ag |
1033 |
1065 |
1.031 |
144 |
529 |
|
|
5 |
Ag |
533 |
551 |
1.033 |
144 |
530 |
|
|
6 |
Au |
769 |
801 |
1.041 |
144 |
531 |
|
|
7 |
Au |
106 |
127 |
1.193 |
144 |
532 |
|
|
8 |
Bg |
1028 |
1048 |
1.019 |
144 |
533 |
|
|
9 |
Bu |
2851 |
2835 |
0.994 |
144 |
534 |
|
|
10 |
Bu |
1729 |
1732 |
1.002 |
144 |
535 |
|
|
11 |
Bu |
1271 |
1312 |
1.032 |
144 |
536 |
|
|
12 |
Bu |
322 |
339 |
1.053 |
144 |
537 |
CH3SH |
Methanethiol |
1 |
A' |
3091 |
3000 |
0.971 |
145 |
538 |
|
|
2 |
A' |
2989 |
2931 |
0.981 |
145 |
539 |
|
|
3 |
A' |
2601 |
2597 |
0.998 |
145 |
540 |
|
|
4 |
A' |
1398 |
1475 |
1.055 |
145 |
541 |
|
|
5 |
A' |
1272 |
1335 |
1.049 |
145 |
542 |
|
|
6 |
A' |
1041 |
1074 |
1.031 |
145 |
543 |
|
|
7 |
A' |
767 |
803 |
1.047 |
145 |
544 |
|
|
8 |
A' |
686 |
708 |
1.032 |
145 |
545 |
|
|
9 |
A" |
3089 |
3000 |
0.971 |
145 |
546 |
|
|
10 |
A" |
1389 |
1430 |
1.030 |
145 |
547 |
|
|
11 |
A" |
923 |
976 |
1.057 |
145 |
548 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3217 |
3115 |
0.968 |
146 |
549 |
|
|
2 |
A' |
3140 |
3080 |
0.981 |
146 |
550 |
|
|
3 |
A' |
3110 |
3052 |
0.981 |
146 |
551 |
|
|
4 |
A' |
1657 |
1654 |
0.998 |
146 |
552 |
|
|
5 |
A' |
1344 |
1380 |
1.027 |
146 |
553 |
|
|
6 |
A' |
1277 |
1306 |
1.023 |
146 |
554 |
|
|
7 |
A' |
1114 |
1156 |
1.038 |
146 |
555 |
|
|
8 |
A' |
894 |
929 |
1.039 |
146 |
556 |
|
|
9 |
A' |
464 |
483 |
1.042 |
146 |
557 |
|
|
10 |
A" |
912 |
940 |
1.031 |
146 |
558 |
|
|
11 |
A" |
850 |
863 |
1.016 |
146 |
559 |
|
|
12 |
A" |
700 |
711 |
1.016 |
146 |
560 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3140 |
3070 |
0.978 |
147 |
561 |
|
|
2 |
A1 |
1723 |
1728 |
1.003 |
147 |
562 |
|
|
3 |
A1 |
1343 |
1360 |
1.013 |
147 |
563 |
|
|
4 |
A1 |
896 |
926 |
1.034 |
147 |
564 |
|
|
5 |
A1 |
520 |
550 |
1.058 |
147 |
565 |
|
|
6 |
A2 |
683 |
714 |
1.045 |
147 |
566 |
|
|
7 |
B1 |
783 |
803 |
1.025 |
147 |
567 |
|
|
8 |
B1 |
601 |
611 |
1.016 |
147 |
568 |
|
|
9 |
B2 |
3252 |
3154 |
0.970 |
147 |
569 |
|
|
10 |
B2 |
1234 |
1302 |
1.055 |
147 |
570 |
|
|
11 |
B2 |
912 |
955 |
1.047 |
147 |
571 |
|
|
12 |
B2 |
418 |
438 |
1.047 |
147 |
572 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2284 |
2275 |
0.996 |
148 |
573 |
|
|
2 |
A1 |
1172 |
1227 |
1.047 |
148 |
574 |
|
|
3 |
A1 |
768 |
802 |
1.045 |
148 |
575 |
|
|
4 |
A1 |
497 |
522 |
1.050 |
148 |
576 |
|
|
5 |
E |
1104 |
1214 |
1.099 |
148 |
577 |
|
|
6 |
E |
590 |
618 |
1.048 |
148 |
578 |
|
|
7 |
E |
431 |
463 |
1.074 |
148 |
579 |
|
|
8 |
E |
180 |
196 |
1.092 |
148 |
580 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1850 |
1872 |
1.012 |
149 |
581 |
|
|
2 |
Ag |
758 |
778 |
1.026 |
149 |
582 |
|
|
3 |
Ag |
377 |
394 |
1.045 |
149 |
583 |
|
|
4 |
Au |
188 |
190 |
1.009 |
149 |
584 |
|
|
5 |
B1u |
1134 |
1186 |
1.046 |
149 |
585 |
|
|
6 |
B1u |
523 |
558 |
1.066 |
149 |
586 |
|
|
7 |
B2g |
497 |
508 |
1.021 |
149 |
587 |
|
|
8 |
B2u |
1268 |
1337 |
1.054 |
149 |
588 |
|
|
9 |
B2u |
197 |
218 |
1.106 |
149 |
589 |
|
|
10 |
B3g |
1265 |
1340 |
1.059 |
149 |
590 |
|
|
11 |
B3g |
525 |
551 |
1.050 |
149 |
591 |
|
|
12 |
B3u |
395 |
406 |
1.027 |
149 |
592 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
711 |
816 |
1.148 |
150 |
593 |
|
|
2 |
A1' |
612 |
648 |
1.059 |
150 |
594 |
|
|
3 |
A2" |
908 |
947 |
1.043 |
150 |
595 |
|
|
4 |
A2" |
492 |
575 |
1.169 |
150 |
596 |
|
|
5 |
E' |
931 |
1024 |
1.100 |
150 |
597 |
|
|
6 |
E' |
456 |
533 |
1.168 |
150 |
598 |
|
|
7 |
E' |
146 |
174 |
1.193 |
150 |
599 |
|
|
8 |
E" |
431 |
520 |
1.208 |
150 |
600 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3614 |
3602 |
0.997 |
151 |
601 |
|
|
2 |
A |
1338 |
1486 |
1.111 |
151 |
602 |
|
|
3 |
A |
1125 |
1243 |
1.105 |
151 |
603 |
|
|
4 |
A |
1105 |
1150 |
1.041 |
151 |
604 |
|
|
5 |
A |
764 |
896 |
1.172 |
151 |
605 |
|
|
6 |
A |
700 |
823 |
1.175 |
151 |
606 |
|
|
7 |
A |
460 |
562 |
1.222 |
151 |
607 |
|
|
8 |
A |
447 |
551 |
1.232 |
151 |
608 |
|
|
9 |
A |
428 |
518 |
1.211 |
151 |
609 |
|
|
10 |
A |
360 |
409 |
1.138 |
151 |
610 |
|
|
11 |
A |
304 |
390 |
1.284 |
151 |
611 |
|
|
12 |
A |
248 |
266 |
1.073 |
151 |
612 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3199 |
3121 |
0.976 |
152 |
613 |
|
|
2 |
A' |
3146 |
3086 |
0.981 |
152 |
614 |
|
|
3 |
A' |
3095 |
3030 |
0.979 |
152 |
615 |
|
|
4 |
A' |
1617 |
1608 |
0.995 |
152 |
616 |
|
|
5 |
A' |
1344 |
1368 |
1.018 |
152 |
617 |
|
|
6 |
A' |
1246 |
1279 |
1.026 |
152 |
618 |
|
|
7 |
A' |
995 |
1030 |
1.035 |
152 |
619 |
|
|
8 |
A' |
699 |
720 |
1.030 |
152 |
620 |
|
|
9 |
A' |
387 |
395 |
1.019 |
152 |
621 |
|
|
10 |
A" |
926 |
941 |
1.017 |
152 |
622 |
|
|
11 |
A" |
882 |
896 |
1.016 |
152 |
623 |
|
|
12 |
A" |
616 |
620 |
1.007 |
152 |
624 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3112 |
3035 |
0.975 |
153 |
625 |
|
|
2 |
A1 |
1616 |
1627 |
1.007 |
153 |
626 |
|
|
3 |
A1 |
1339 |
1400 |
1.046 |
153 |
627 |
|
|
4 |
A1 |
591 |
603 |
1.021 |
153 |
628 |
|
|
5 |
A1 |
292 |
299 |
1.024 |
153 |
629 |
|
|
6 |
A2 |
658 |
686 |
1.043 |
153 |
630 |
|
|
7 |
B1 |
843 |
875 |
1.038 |
153 |
631 |
|
|
8 |
B1 |
457 |
460 |
1.006 |
153 |
632 |
|
|
9 |
B2 |
3219 |
3130 |
0.972 |
153 |
633 |
|
|
10 |
B2 |
1047 |
1095 |
1.046 |
153 |
634 |
|
|
11 |
B2 |
750 |
800 |
1.067 |
153 |
635 |
|
|
12 |
B2 |
365 |
372 |
1.018 |
153 |
636 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3162 |
3077 |
0.973 |
154 |
637 |
|
|
2 |
A1 |
1605 |
1587 |
0.989 |
154 |
638 |
|
|
3 |
A1 |
1155 |
1179 |
1.021 |
154 |
639 |
|
|
4 |
A1 |
706 |
711 |
1.007 |
154 |
640 |
|
|
5 |
A1 |
159 |
173 |
1.090 |
154 |
641 |
|
|
6 |
A2 |
842 |
876 |
1.040 |
154 |
642 |
|
|
7 |
A2 |
405 |
406 |
1.003 |
154 |
643 |
|
|
8 |
B1 |
679 |
697 |
1.026 |
154 |
644 |
|
|
9 |
B2 |
3142 |
3072 |
0.978 |
154 |
645 |
|
|
10 |
B2 |
1252 |
1303 |
1.041 |
154 |
646 |
|
|
11 |
B2 |
835 |
857 |
1.026 |
154 |
647 |
|
|
12 |
B2 |
561 |
571 |
1.018 |
154 |
648 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3160 |
3073 |
0.973 |
155 |
649 |
|
|
2 |
Ag |
1599 |
1578 |
0.987 |
155 |
650 |
|
|
3 |
Ag |
1242 |
1274 |
1.026 |
155 |
651 |
|
|
4 |
Ag |
832 |
846 |
1.017 |
155 |
652 |
|
|
5 |
Ag |
343 |
350 |
1.019 |
155 |
653 |
|
|
6 |
Au |
876 |
900 |
1.027 |
155 |
654 |
|
|
7 |
Au |
208 |
227 |
1.093 |
155 |
655 |
|
|
8 |
Bg |
748 |
763 |
1.020 |
155 |
656 |
|
|
9 |
Bu |
3157 |
3090 |
0.979 |
155 |
657 |
|
|
10 |
Bu |
1162 |
1200 |
1.033 |
155 |
658 |
|
|
11 |
Bu |
809 |
828 |
1.023 |
155 |
659 |
|
|
12 |
Bu |
228 |
250 |
1.098 |
155 |
660 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3168 |
3082 |
0.973 |
156 |
661 |
|
|
2 |
A' |
1599 |
1586 |
0.992 |
156 |
662 |
|
|
3 |
A' |
1206 |
1247 |
1.034 |
156 |
663 |
|
|
4 |
A' |
894 |
931 |
1.041 |
156 |
664 |
|
|
5 |
A' |
825 |
840 |
1.018 |
156 |
665 |
|
|
6 |
A' |
618 |
630 |
1.020 |
156 |
666 |
|
|
7 |
A' |
377 |
384 |
1.017 |
156 |
667 |
|
|
8 |
A' |
269 |
277 |
1.030 |
156 |
668 |
|
|
9 |
A' |
163 |
178 |
1.092 |
156 |
669 |
|
|
10 |
A" |
752 |
780 |
1.038 |
156 |
670 |
|
|
11 |
A" |
448 |
451 |
1.006 |
156 |
671 |
|
|
12 |
A" |
197 |
215 |
1.092 |
156 |
672 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1116 |
1122 |
1.005 |
157 |
673 |
|
|
2 |
A1 |
394 |
401 |
1.019 |
157 |
674 |
|
|
3 |
A1 |
167 |
176 |
1.057 |
157 |
675 |
|
|
5 |
B2 |
709 |
728 |
1.027 |
157 |
676 |
|
|
6 |
B2 |
280 |
289 |
1.033 |
157 |
677 |
|
|
7 |
E |
890 |
917 |
1.030 |
157 |
678 |
|
|
8 |
E |
470 |
512 |
1.090 |
157 |
679 |
|
|
9 |
E |
91 |
104 |
1.143 |
157 |
680 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1581 |
1571 |
0.994 |
158 |
681 |
|
|
2 |
Ag |
443 |
447 |
1.009 |
158 |
682 |
|
|
3 |
Ag |
230 |
237 |
1.031 |
158 |
683 |
|
|
4 |
Au |
94 |
110 |
1.172 |
158 |
684 |
|
|
5 |
B1u |
760 |
777 |
1.023 |
158 |
685 |
|
|
6 |
B1u |
304 |
310 |
1.018 |
158 |
686 |
|
|
7 |
B2g |
499 |
512 |
1.026 |
158 |
687 |
|
|
8 |
B2u |
876 |
908 |
1.036 |
158 |
688 |
|
|
9 |
B2u |
169 |
176 |
1.040 |
158 |
689 |
|
|
10 |
B3g |
930 |
1000 |
1.075 |
158 |
690 |
|
|
11 |
B3g |
334 |
347 |
1.038 |
158 |
691 |
|
|
12 |
B3u |
280 |
288 |
1.029 |
158 |
692 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
360 |
394 |
1.094 |
159 |
693 |
|
|
2 |
A1' |
269 |
264 |
0.982 |
159 |
694 |
|
|
3 |
A2" |
445 |
465 |
1.046 |
159 |
695 |
|
|
4 |
A2" |
277 |
299 |
1.078 |
159 |
696 |
|
|
5 |
E' |
525 |
592 |
1.128 |
159 |
697 |
|
|
6 |
E' |
251 |
273 |
1.087 |
159 |
698 |
|
|
7 |
E' |
76 |
100 |
1.309 |
159 |
699 |
|
|
8 |
E" |
240 |
282 |
1.174 |
159 |
700 |
CH3CCH |
propyne |
1 |
A1 |
3421 |
3334 |
0.975 |
160 |
701 |
|
|
2 |
A1 |
2967 |
2918 |
0.984 |
160 |
702 |
|
|
3 |
A1 |
2164 |
2124 |
0.981 |
160 |
703 |
|
|
4 |
A1 |
1332 |
1382 |
1.037 |
160 |
704 |
|
|
5 |
A1 |
942 |
931 |
0.989 |
160 |
705 |
|
|
6 |
E |
3043 |
3008 |
0.989 |
160 |
706 |
|
|
7 |
E |
1395 |
1452 |
1.041 |
160 |
707 |
|
|
8 |
E |
991 |
1053 |
1.063 |
160 |
708 |
|
|
9 |
E |
563 |
633 |
1.124 |
160 |
709 |
|
|
10 |
E |
302 |
328 |
1.088 |
160 |
710 |
CH2CCH2 |
allene |
1 |
A1 |
3067 |
3015 |
0.983 |
161 |
711 |
|
|
2 |
A1 |
1411 |
1443 |
1.023 |
161 |
712 |
|
|
3 |
A1 |
1083 |
1073 |
0.990 |
161 |
713 |
|
|
4 |
B1 |
847 |
865 |
1.021 |
161 |
714 |
|
|
5 |
B2 |
3064 |
3007 |
0.981 |
161 |
715 |
|
|
6 |
B2 |
2004 |
1957 |
0.977 |
161 |
716 |
|
|
7 |
B2 |
1353 |
1398 |
1.034 |
161 |
717 |
|
|
8 |
E |
3148 |
3086 |
0.980 |
161 |
718 |
|
|
9 |
E |
956 |
999 |
1.045 |
161 |
719 |
|
|
10 |
E |
826 |
841 |
1.018 |
161 |
720 |
|
|
11 |
E |
333 |
355 |
1.067 |
161 |
721 |
C3H4 |
cyclopropene |
1 |
A1 |
3228 |
3158 |
0.978 |
162 |
722 |
|
|
2 |
A1 |
2976 |
2909 |
0.978 |
162 |
723 |
|
|
3 |
A1 |
1684 |
1653 |
0.982 |
162 |
724 |
|
|
4 |
A1 |
1459 |
1483 |
1.017 |
162 |
725 |
|
|
5 |
A1 |
1135 |
1110 |
0.978 |
162 |
726 |
|
|
6 |
A1 |
888 |
905 |
1.019 |
162 |
727 |
|
|
7 |
A2 |
975 |
996 |
1.022 |
162 |
728 |
|
|
8 |
A2 |
773 |
820 |
1.061 |
162 |
729 |
|
|
9 |
B1 |
3047 |
2995 |
0.983 |
162 |
730 |
|
|
10 |
B1 |
1066 |
1088 |
1.021 |
162 |
731 |
|
|
11 |
B1 |
541 |
569 |
1.051 |
162 |
732 |
|
|
12 |
B2 |
3182 |
3124 |
0.982 |
162 |
733 |
|
|
13 |
B2 |
1017 |
1043 |
1.026 |
162 |
734 |
|
|
14 |
B2 |
980 |
1011 |
1.032 |
162 |
735 |
|
|
15 |
B2 |
767 |
769 |
1.002 |
162 |
736 |
CH3NH2 |
methyl amine |
1 |
A' |
3406 |
3361 |
0.987 |
163 |
737 |
|
|
2 |
A' |
3005 |
2961 |
0.985 |
163 |
738 |
|
|
3 |
A' |
2903 |
2820 |
0.971 |
163 |
739 |
|
|
4 |
A' |
1594 |
1623 |
1.018 |
163 |
740 |
|
|
5 |
A' |
1421 |
1473 |
1.037 |
163 |
741 |
|
|
6 |
A' |
1382 |
1430 |
1.034 |
163 |
742 |
|
|
7 |
A' |
1124 |
1130 |
1.005 |
163 |
743 |
|
|
8 |
A' |
1047 |
1044 |
0.997 |
163 |
744 |
|
|
9 |
A' |
806 |
780 |
0.967 |
163 |
745 |
|
|
10 |
A" |
3489 |
3427 |
0.982 |
163 |
746 |
|
|
11 |
A" |
3047 |
2985 |
0.980 |
163 |
747 |
|
|
12 |
A" |
1442 |
1485 |
1.030 |
163 |
748 |
|
|
13 |
A" |
1295 |
1335 |
1.031 |
163 |
749 |
|
|
14 |
A" |
942 |
|
|
163 |
750 |
|
|
15 |
A" |
307 |
268 |
0.874 |
163 |
751 |
C3H3N |
acrylonitrile |
1 |
A' |
3202 |
3125 |
0.976 |
164 |
752 |
|
|
2 |
A' |
3112 |
3078 |
0.989 |
164 |
753 |
|
|
3 |
A' |
3098 |
3042 |
0.982 |
164 |
754 |
|
|
4 |
A' |
2236 |
2239 |
1.001 |
164 |
755 |
|
|
5 |
A' |
1623 |
1615 |
0.995 |
164 |
756 |
|
|
6 |
A' |
1386 |
1416 |
1.022 |
164 |
757 |
|
|
7 |
A' |
1265 |
1282 |
1.014 |
164 |
758 |
|
|
8 |
A' |
1068 |
1096 |
1.026 |
164 |
759 |
|
|
9 |
A' |
868 |
869 |
1.001 |
164 |
760 |
|
|
10 |
A' |
554 |
570 |
1.028 |
164 |
761 |
|
|
11 |
A' |
224 |
242 |
1.079 |
164 |
762 |
|
|
12 |
A" |
958 |
972 |
1.014 |
164 |
763 |
|
|
13 |
A" |
946 |
954 |
1.009 |
164 |
764 |
|
|
14 |
A" |
684 |
683 |
0.999 |
164 |
765 |
|
|
15 |
A" |
327 |
362 |
1.108 |
164 |
766 |
C3H2N2 |
Malononitrile |
1 |
A1 |
2980 |
2935 |
0.985 |
165 |
767 |
|
|
2 |
A1 |
2283 |
2275 |
0.996 |
165 |
768 |
|
|
3 |
A1 |
1360 |
1395 |
1.026 |
165 |
769 |
|
|
4 |
A1 |
882 |
890 |
1.009 |
165 |
770 |
|
|
5 |
A1 |
559 |
582 |
1.040 |
165 |
771 |
|
|
6 |
A1 |
137 |
167 |
1.221 |
165 |
772 |
|
|
7 |
A2 |
1176 |
1220 |
1.038 |
165 |
773 |
|
|
8 |
A2 |
347 |
367 |
1.056 |
165 |
774 |
|
|
9 |
B1 |
3026 |
2968 |
0.981 |
165 |
775 |
|
|
10 |
B1 |
881 |
933 |
1.059 |
165 |
776 |
|
|
11 |
B1 |
317 |
337 |
1.064 |
165 |
777 |
|
|
12 |
B2 |
2278 |
2275 |
0.999 |
165 |
778 |
|
|
13 |
B2 |
1260 |
1318 |
1.046 |
165 |
779 |
|
|
14 |
B2 |
969 |
982 |
1.013 |
165 |
780 |
|
|
15 |
B2 |
347 |
366 |
1.054 |
165 |
781 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3546 |
3447 |
0.972 |
166 |
782 |
|
|
2 |
A' |
3218 |
3102 |
0.964 |
166 |
783 |
|
|
3 |
A' |
1442 |
1441 |
0.999 |
166 |
784 |
|
|
4 |
A' |
1407 |
1384 |
0.983 |
166 |
785 |
|
|
5 |
A' |
1231 |
1259 |
1.023 |
166 |
786 |
|
|
6 |
A' |
1207 |
1159 |
0.960 |
166 |
787 |
|
|
7 |
A' |
1105 |
1084 |
0.981 |
166 |
788 |
|
|
8 |
A' |
1027 |
1015 |
0.988 |
166 |
789 |
|
|
9 |
A' |
1015 |
1002 |
0.987 |
166 |
790 |
|
|
10 |
A' |
972 |
969 |
0.997 |
166 |
791 |
|
|
11 |
A' |
931 |
925 |
0.994 |
166 |
792 |
|
|
12 |
A" |
807 |
906 |
1.122 |
166 |
793 |
|
|
13 |
A" |
717 |
663 |
0.925 |
166 |
794 |
|
|
14 |
A" |
671 |
658 |
0.981 |
166 |
795 |
|
|
15 |
A" |
580 |
578 |
0.996 |
166 |
796 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3095 |
3014 |
0.974 |
167 |
797 |
|
|
2 |
A' |
2962 |
2923 |
0.987 |
167 |
798 |
|
|
3 |
A' |
2788 |
2716 |
0.974 |
167 |
799 |
|
|
4 |
A' |
1744 |
1743 |
0.999 |
167 |
800 |
|
|
5 |
A' |
1378 |
1433 |
1.040 |
167 |
801 |
|
|
6 |
A' |
1360 |
1395 |
1.026 |
167 |
802 |
|
|
7 |
A' |
1295 |
1352 |
1.044 |
167 |
803 |
|
|
8 |
A' |
1087 |
1114 |
1.025 |
167 |
804 |
|
|
9 |
A' |
866 |
867 |
1.001 |
167 |
805 |
|
|
10 |
A' |
488 |
509 |
1.042 |
167 |
806 |
|
|
11 |
A" |
3032 |
2964 |
0.978 |
167 |
807 |
|
|
12 |
A" |
1386 |
1431 |
1.033 |
167 |
808 |
|
|
13 |
A" |
1073 |
1102 |
1.027 |
167 |
809 |
|
|
14 |
A" |
731 |
764 |
1.045 |
167 |
810 |
|
|
15 |
A" |
159 |
150 |
0.945 |
167 |
811 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3021 |
3006 |
0.995 |
168 |
812 |
|
|
2 |
A1 |
1475 |
1467 |
0.995 |
168 |
813 |
|
|
3 |
A1 |
1269 |
1267 |
0.998 |
168 |
814 |
|
|
4 |
A1 |
1096 |
1146 |
1.046 |
168 |
815 |
|
|
5 |
A1 |
874 |
857 |
0.980 |
168 |
816 |
|
|
6 |
A2 |
3103 |
3063 |
0.987 |
168 |
817 |
|
|
7 |
A2 |
1120 |
1050 |
0.938 |
168 |
818 |
|
|
8 |
A2 |
998 |
1020 |
1.022 |
168 |
819 |
|
|
9 |
B1 |
3118 |
3065 |
0.983 |
168 |
820 |
|
|
10 |
B1 |
1114 |
1146 |
1.029 |
168 |
821 |
|
|
11 |
B1 |
786 |
797 |
1.013 |
168 |
822 |
|
|
12 |
B2 |
3016 |
3006 |
0.997 |
168 |
823 |
|
|
13 |
B2 |
1435 |
1459 |
1.016 |
168 |
824 |
|
|
14 |
B2 |
1100 |
1159 |
1.054 |
168 |
825 |
|
|
15 |
B2 |
817 |
824 |
1.009 |
168 |
826 |
H2SO4 |
Sulfuric acid |
1 |
A |
3624 |
3563 |
0.983 |
169 |
827 |
|
|
2 |
A |
1112 |
1216 |
1.093 |
169 |
828 |
|
|
3 |
A |
1085 |
1136 |
1.047 |
169 |
829 |
|
|
4 |
A |
702 |
831 |
1.185 |
169 |
830 |
|
|
5 |
A |
455 |
548 |
1.205 |
169 |
831 |
|
|
6 |
A |
379 |
422 |
1.112 |
169 |
832 |
|
|
7 |
A |
307 |
379 |
1.231 |
169 |
833 |
|
|
8 |
A |
212 |
224 |
1.058 |
169 |
834 |
|
|
9 |
B |
3620 |
3567 |
0.985 |
169 |
835 |
|
|
10 |
B |
1330 |
1452 |
1.092 |
169 |
836 |
|
|
11 |
B |
1114 |
1157 |
1.038 |
169 |
837 |
|
|
12 |
B |
758 |
882 |
1.164 |
169 |
838 |
|
|
13 |
B |
467 |
558 |
1.195 |
169 |
839 |
|
|
14 |
B |
418 |
506 |
1.211 |
169 |
840 |
|
|
15 |
B |
301 |
288 |
0.954 |
169 |
841 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3118 |
3043 |
0.976 |
170 |
842 |
|
|
2 |
A' |
2995 |
2955 |
0.987 |
170 |
843 |
|
|
3 |
A' |
1847 |
1870 |
1.012 |
170 |
844 |
|
|
4 |
A' |
1386 |
1440 |
1.039 |
170 |
845 |
|
|
5 |
A' |
1320 |
1378 |
1.044 |
170 |
846 |
|
|
6 |
A' |
1132 |
1188 |
1.050 |
170 |
847 |
|
|
7 |
A' |
957 |
1000 |
1.044 |
170 |
848 |
|
|
8 |
A' |
784 |
826 |
1.054 |
170 |
849 |
|
|
9 |
A' |
565 |
598 |
1.058 |
170 |
850 |
|
|
10 |
A' |
396 |
420 |
1.060 |
170 |
851 |
|
|
11 |
A" |
3072 |
3004 |
0.978 |
170 |
852 |
|
|
12 |
A" |
1392 |
1437 |
1.032 |
170 |
853 |
|
|
13 |
A" |
1007 |
1054 |
1.047 |
170 |
854 |
|
|
14 |
A" |
541 |
567 |
1.048 |
170 |
855 |
|
|
15 |
A" |
119 |
123 |
1.037 |
170 |
856 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
663 |
774 |
1.166 |
171 |
857 |
|
|
2 |
Eg |
587 |
642 |
1.093 |
171 |
858 |
|
|
3 |
T1u |
884 |
948 |
1.072 |
171 |
859 |
|
|
4 |
T1u |
522 |
616 |
1.180 |
171 |
860 |
|
|
5 |
T2g |
434 |
525 |
1.208 |
171 |
861 |
|
|
6 |
T2u |
293 |
347 |
1.184 |
171 |
862 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3107 |
3027 |
0.974 |
172 |
863 |
|
|
2 |
A' |
2992 |
2948 |
0.985 |
172 |
864 |
|
|
3 |
A' |
1825 |
1818 |
0.996 |
172 |
865 |
|
|
4 |
A' |
1382 |
1415 |
1.024 |
172 |
866 |
|
|
5 |
A' |
1309 |
1368 |
1.045 |
172 |
867 |
|
|
6 |
A' |
1071 |
1108 |
1.035 |
172 |
868 |
|
|
7 |
A' |
934 |
956 |
1.023 |
172 |
869 |
|
|
8 |
A' |
584 |
604 |
1.034 |
172 |
870 |
|
|
9 |
A' |
416 |
445 |
1.070 |
172 |
871 |
|
|
10 |
A' |
334 |
348 |
1.043 |
172 |
872 |
|
|
11 |
A" |
3075 |
2990 |
0.972 |
172 |
873 |
|
|
12 |
A" |
1383 |
1431 |
1.034 |
172 |
874 |
|
|
13 |
A" |
986 |
1032 |
1.046 |
172 |
875 |
|
|
14 |
A" |
500 |
518 |
1.037 |
172 |
876 |
|
|
15 |
A" |
126 |
166 |
1.316 |
172 |
877 |
C2H6 |
Ethane |
1 |
A1g |
2973 |
2954 |
0.994 |
173 |
878 |
|
|
2 |
A1g |
1354 |
1388 |
1.025 |
173 |
879 |
|
|
3 |
A1g |
1000 |
995 |
0.995 |
173 |
880 |
|
|
4 |
A1u |
301 |
289 |
0.960 |
173 |
881 |
|
|
5 |
A2u |
2973 |
2896 |
0.974 |
173 |
882 |
|
|
6 |
A2u |
1327 |
1379 |
1.039 |
173 |
883 |
|
|
7 |
Eg |
3035 |
2969 |
0.978 |
173 |
884 |
|
|
8 |
Eg |
1425 |
1468 |
1.030 |
173 |
885 |
|
|
9 |
Eg |
1162 |
1190 |
1.024 |
173 |
886 |
|
|
10 |
Eu |
3058 |
2985 |
0.976 |
173 |
887 |
|
|
11 |
Eu |
1425 |
1469 |
1.031 |
173 |
888 |
|
|
12 |
Eu |
789 |
822 |
1.042 |
173 |
889 |
Si2H6 |
disilane |
1 |
A1g |
2140 |
2152 |
1.005 |
174 |
890 |
|
|
2 |
A1g |
862 |
909 |
1.054 |
174 |
891 |
|
|
3 |
A1g |
416 |
434 |
1.044 |
174 |
892 |
|
|
4 |
A1u |
136 |
131 |
0.964 |
174 |
893 |
|
|
5 |
A2u |
2135 |
2154 |
1.009 |
174 |
894 |
|
|
6 |
A2u |
791 |
844 |
1.066 |
174 |
895 |
|
|
7 |
Eg |
2149 |
2155 |
1.003 |
174 |
896 |
|
|
8 |
Eg |
897 |
929 |
1.036 |
174 |
897 |
|
|
9 |
Eg |
602 |
625 |
1.039 |
174 |
898 |
|
|
10 |
Eu |
2160 |
2179 |
1.009 |
174 |
899 |
|
|
11 |
Eu |
910 |
940 |
1.032 |
174 |
900 |
|
|
12 |
Eu |
356 |
379 |
1.064 |
174 |
901 |
C2H5N |
Aziridine |
1 |
A' |
3402 |
3338 |
0.981 |
175 |
902 |
|
|
2 |
A' |
3145 |
3079 |
0.979 |
175 |
903 |
|
|
3 |
A' |
3050 |
3015 |
0.988 |
175 |
904 |
|
|
4 |
A' |
1461 |
1482 |
1.015 |
175 |
905 |
|
|
5 |
A' |
1258 |
1237 |
0.983 |
175 |
906 |
|
|
6 |
A' |
1205 |
1211 |
1.005 |
175 |
907 |
|
|
7 |
A' |
1063 |
1090 |
1.025 |
175 |
908 |
|
|
8 |
A' |
972 |
998 |
1.027 |
175 |
909 |
|
|
9 |
A' |
856 |
856 |
1.000 |
175 |
910 |
|
|
10 |
A' |
746 |
773 |
1.036 |
175 |
911 |
|
|
11 |
A" |
3132 |
3079 |
0.983 |
175 |
912 |
|
|
12 |
A" |
3046 |
3015 |
0.990 |
175 |
913 |
|
|
13 |
A" |
1429 |
1463 |
1.024 |
175 |
914 |
|
|
14 |
A" |
1214 |
1268 |
1.045 |
175 |
915 |
|
|
15 |
A" |
1102 |
1131 |
1.026 |
175 |
916 |
|
|
16 |
A" |
1050 |
1095 |
1.043 |
175 |
917 |
|
|
17 |
A" |
881 |
904 |
1.026 |
175 |
918 |
|
|
18 |
A" |
840 |
817 |
0.973 |
175 |
919 |
C2H3N3 |
1H-1,2,4-Triazole |
1 |
A' |
3554 |
|
|
176 |
920 |
|
|
2 |
A' |
3198 |
3140 |
0.982 |
176 |
921 |
|
|
3 |
A' |
3193 |
3110 |
0.974 |
176 |
922 |
|
|
4 |
A' |
1491 |
1540 |
1.033 |
176 |
923 |
|
|
5 |
A' |
1418 |
1495 |
1.054 |
176 |
924 |
|
|
6 |
A' |
1346 |
|
|
176 |
925 |
|
|
7 |
A' |
1282 |
|
|
176 |
926 |
|
|
8 |
A' |
1225 |
1280 |
1.045 |
176 |
927 |
|
|
9 |
A' |
1159 |
1190 |
1.027 |
176 |
928 |
|
|
10 |
A' |
1110 |
1155 |
1.041 |
176 |
929 |
|
|
11 |
A' |
1055 |
1070 |
1.014 |
176 |
930 |
|
|
12 |
A' |
958 |
965 |
1.008 |
176 |
931 |
|
|
13 |
A' |
920 |
930 |
1.010 |
176 |
932 |
|
|
14 |
A" |
854 |
990 |
1.159 |
176 |
933 |
|
|
15 |
A" |
800 |
885 |
1.107 |
176 |
934 |
|
|
16 |
A" |
678 |
693 |
1.022 |
176 |
935 |
|
|
17 |
A" |
662 |
660 |
0.998 |
176 |
936 |
|
|
18 |
A" |
562 |
640 |
1.139 |
176 |
937 |
CH3COOH |
Acetic acid |
1 |
A' |
3618 |
3583 |
0.990 |
177 |
938 |
|
|
2 |
A' |
3121 |
3051 |
0.978 |
177 |
939 |
|
|
3 |
A' |
2994 |
2944 |
0.983 |
177 |
940 |
|
|
4 |
A' |
1754 |
1788 |
1.019 |
177 |
941 |
|
|
5 |
A' |
1392 |
1430 |
1.027 |
177 |
942 |
|
|
6 |
A' |
1340 |
1382 |
1.031 |
177 |
943 |
|
|
7 |
A' |
1280 |
1264 |
0.988 |
177 |
944 |
|
|
8 |
A' |
1162 |
1182 |
1.017 |
177 |
945 |
|
|
9 |
A' |
949 |
989 |
1.042 |
177 |
946 |
|
|
10 |
A' |
842 |
847 |
1.006 |
177 |
947 |
|
|
11 |
A' |
560 |
657 |
1.174 |
177 |
948 |
|
|
12 |
A' |
407 |
|
|
177 |
949 |
|
|
13 |
A" |
3068 |
2996 |
0.977 |
177 |
950 |
|
|
14 |
A" |
1397 |
1430 |
1.023 |
177 |
951 |
|
|
15 |
A" |
1008 |
1048 |
1.040 |
177 |
952 |
|
|
16 |
A" |
655 |
642 |
0.980 |
177 |
953 |
|
|
17 |
A" |
535 |
534 |
0.998 |
177 |
954 |
|
|
18 |
A" |
48 |
93 |
1.948 |
177 |
955 |
CH3OCHO |
methyl formate |
1 |
A' |
3118 |
3045 |
0.977 |
178 |
956 |
|
|
2 |
A' |
2990 |
2969 |
0.993 |
178 |
957 |
|
|
3 |
A' |
2972 |
2943 |
0.990 |
178 |
958 |
|
|
4 |
A' |
1729 |
1754 |
1.014 |
178 |
959 |
|
|
5 |
A' |
1414 |
1454 |
1.028 |
178 |
960 |
|
|
6 |
A' |
1382 |
1445 |
1.045 |
178 |
961 |
|
|
7 |
A' |
1325 |
1371 |
1.035 |
178 |
962 |
|
|
8 |
A' |
1166 |
1207 |
1.035 |
178 |
963 |
|
|
9 |
A' |
1121 |
1166 |
1.040 |
178 |
964 |
|
|
10 |
A' |
904 |
925 |
1.023 |
178 |
965 |
|
|
11 |
A' |
744 |
767 |
1.031 |
178 |
966 |
|
|
12 |
A' |
288 |
318 |
1.105 |
178 |
967 |
|
|
13 |
A" |
3075 |
3012 |
0.979 |
178 |
968 |
|
|
14 |
A" |
1403 |
1443 |
1.029 |
178 |
969 |
|
|
15 |
A" |
1114 |
1168 |
1.048 |
178 |
970 |
|
|
16 |
A" |
977 |
1032 |
1.057 |
178 |
971 |
|
|
17 |
A" |
346 |
332 |
0.959 |
178 |
972 |
|
|
18 |
A" |
113 |
130 |
1.154 |
178 |
973 |
C3H3NO |
Isoxazole |
1 |
A' |
3225 |
3140 |
0.974 |
179 |
974 |
|
|
2 |
A' |
3200 |
3128 |
0.977 |
179 |
975 |
|
|
3 |
A' |
3177 |
3086 |
0.971 |
179 |
976 |
|
|
4 |
A' |
1542 |
1653 |
1.072 |
179 |
977 |
|
|
5 |
A' |
1428 |
|
|
179 |
978 |
|
|
6 |
A' |
1348 |
1432 |
1.062 |
179 |
979 |
|
|
7 |
A' |
1193 |
1373 |
1.151 |
179 |
980 |
|
|
8 |
A' |
1103 |
1217 |
1.103 |
179 |
981 |
|
|
9 |
A' |
1089 |
1128 |
1.036 |
179 |
982 |
|
|
10 |
A' |
1009 |
1089 |
1.080 |
179 |
983 |
|
|
11 |
A' |
894 |
1021 |
1.141 |
179 |
984 |
|
|
12 |
A' |
883 |
856 |
0.970 |
179 |
985 |
|
|
13 |
A' |
837 |
|
|
179 |
986 |
|
|
14 |
A" |
854 |
|
|
179 |
987 |
|
|
15 |
A" |
815 |
889 |
1.091 |
179 |
988 |
|
|
16 |
A" |
738 |
764 |
1.036 |
179 |
989 |
|
|
17 |
A" |
626 |
632 |
1.009 |
179 |
990 |
|
|
18 |
A" |
590 |
595 |
1.009 |
179 |
991 |
C3H3NO |
Oxazole |
1 |
A' |
3236 |
3170 |
0.980 |
180 |
992 |
|
|
2 |
A' |
3216 |
3144 |
0.978 |
180 |
993 |
|
|
3 |
A' |
3196 |
3141 |
0.983 |
180 |
994 |
|
|
4 |
A' |
1521 |
1537 |
1.011 |
180 |
995 |
|
|
5 |
A' |
1480 |
1504 |
1.016 |
180 |
996 |
|
|
6 |
A' |
1312 |
1324 |
1.009 |
180 |
997 |
|
|
7 |
A' |
1217 |
1252 |
1.028 |
180 |
998 |
|
|
8 |
A' |
1119 |
1139 |
1.018 |
180 |
999 |
|
|
9 |
A' |
1109 |
1086 |
0.980 |
180 |
1000 |
|
|
10 |
A' |
1053 |
1078 |
1.024 |
180 |
1001 |
|
|
11 |
A' |
1040 |
1046 |
1.006 |
180 |
1002 |
|
|
12 |
A' |
891 |
899 |
1.009 |
180 |
1003 |
|
|
13 |
A' |
880 |
854 |
0.970 |
180 |
1004 |
|
|
14 |
A" |
829 |
907 |
1.094 |
180 |
1005 |
|
|
15 |
A" |
788 |
830 |
1.053 |
180 |
1006 |
|
|
16 |
A" |
718 |
750 |
1.044 |
180 |
1007 |
|
|
17 |
A" |
645 |
647 |
1.002 |
180 |
1008 |
|
|
18 |
A" |
607 |
607 |
1.000 |
180 |
1009 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3007 |
2974 |
0.989 |
181 |
1010 |
|
|
2 |
A1 |
1358 |
1412 |
1.040 |
181 |
1011 |
|
|
3 |
A1 |
1225 |
1278 |
1.043 |
181 |
1012 |
|
|
4 |
A1 |
790 |
828 |
1.048 |
181 |
1013 |
|
|
5 |
A1 |
568 |
606 |
1.067 |
181 |
1014 |
|
|
6 |
A2 |
217 |
225 |
1.035 |
181 |
1015 |
|
|
7 |
E |
3106 |
3042 |
0.979 |
181 |
1016 |
|
|
8 |
E |
1405 |
1450 |
1.032 |
181 |
1017 |
|
|
9 |
E |
1142 |
1230 |
1.077 |
181 |
1018 |
|
|
10 |
E |
909 |
964 |
1.060 |
181 |
1019 |
|
|
11 |
E |
504 |
540 |
1.072 |
181 |
1020 |
|
|
12 |
E |
344 |
365 |
1.061 |
181 |
1021 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1325 |
1420 |
1.072 |
182 |
1022 |
|
|
2 |
A1g |
757 |
809 |
1.069 |
182 |
1023 |
|
|
3 |
A1g |
327 |
349 |
1.067 |
182 |
1024 |
|
|
4 |
A1u |
57 |
68 |
1.192 |
182 |
1025 |
|
|
5 |
A2u |
1046 |
1117 |
1.068 |
182 |
1026 |
|
|
6 |
A2u |
666 |
714 |
1.073 |
182 |
1027 |
|
|
7 |
Eg |
1133 |
1237 |
1.091 |
182 |
1028 |
|
|
8 |
Eg |
575 |
620 |
1.078 |
182 |
1029 |
|
|
9 |
Eg |
351 |
380 |
1.081 |
182 |
1030 |
|
|
10 |
Eu |
1156 |
1251 |
1.082 |
182 |
1031 |
|
|
11 |
Eu |
483 |
523 |
1.082 |
182 |
1032 |
|
|
12 |
Eu |
200 |
216 |
1.082 |
182 |
1033 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3055 |
2967 |
0.971 |
183 |
1034 |
|
|
2 |
A' |
3017 |
2946 |
0.977 |
183 |
1035 |
|
|
3 |
A' |
2974 |
2881 |
0.969 |
183 |
1036 |
|
|
4 |
A' |
1422 |
1463 |
1.029 |
183 |
1037 |
|
|
5 |
A' |
1411 |
1448 |
1.026 |
183 |
1038 |
|
|
6 |
A' |
1337 |
1385 |
1.036 |
183 |
1039 |
|
|
7 |
A' |
1243 |
1289 |
1.037 |
183 |
1040 |
|
|
8 |
A' |
1060 |
1081 |
1.020 |
183 |
1041 |
|
|
9 |
A' |
952 |
974 |
1.023 |
183 |
1042 |
|
|
10 |
A' |
648 |
677 |
1.044 |
183 |
1043 |
|
|
11 |
A' |
324 |
336 |
1.038 |
183 |
1044 |
|
|
12 |
A" |
3089 |
3014 |
0.976 |
183 |
1045 |
|
|
13 |
A" |
3066 |
2986 |
0.974 |
183 |
1046 |
|
|
14 |
A" |
1403 |
1448 |
1.032 |
183 |
1047 |
|
|
15 |
A" |
1215 |
1251 |
1.029 |
183 |
1048 |
|
|
16 |
A" |
1024 |
974 |
0.951 |
183 |
1049 |
|
|
17 |
A" |
757 |
786 |
1.038 |
183 |
1050 |
|
|
18 |
A" |
250 |
251 |
1.005 |
183 |
1051 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3029 |
2957 |
0.976 |
184 |
1052 |
|
|
1 |
A |
3077 |
3005 |
0.977 |
184 |
1053 |
|
|
2 |
A |
3013 |
2957 |
0.982 |
184 |
1054 |
|
|
2 |
Ag |
1414 |
1445 |
1.022 |
184 |
1055 |
|
|
3 |
Ag |
1259 |
1304 |
1.036 |
184 |
1056 |
|
|
3 |
A |
1386 |
1433 |
1.034 |
184 |
1057 |
|
|
4 |
A |
1269 |
1315 |
1.036 |
184 |
1058 |
|
|
4 |
Ag |
1053 |
1052 |
0.999 |
184 |
1059 |
|
|
5 |
Ag |
731 |
754 |
1.032 |
184 |
1060 |
|
|
5 |
A |
1171 |
1207 |
1.031 |
184 |
1061 |
|
|
6 |
A |
1024 |
1027 |
1.003 |
184 |
1062 |
|
|
6 |
Ag |
292 |
300 |
1.028 |
184 |
1063 |
|
|
7 |
Au |
3116 |
3005 |
0.964 |
184 |
1064 |
|
|
7 |
A |
913 |
948 |
1.038 |
184 |
1065 |
|
|
8 |
A |
645 |
669 |
1.037 |
184 |
1066 |
|
|
8 |
Au |
1081 |
1123 |
1.039 |
184 |
1067 |
|
|
9 |
Au |
751 |
773 |
1.030 |
184 |
1068 |
|
|
9 |
A |
252 |
272 |
1.077 |
184 |
1069 |
|
|
10 |
A |
107 |
125 |
1.173 |
184 |
1070 |
|
|
10 |
Au |
112 |
123 |
1.101 |
184 |
1071 |
|
|
11 |
Bg |
3093 |
3005 |
0.972 |
184 |
1072 |
|
|
11 |
B |
3090 |
3005 |
0.973 |
184 |
1073 |
|
|
12 |
B |
3005 |
2957 |
0.984 |
184 |
1074 |
|
|
12 |
Bg |
1234 |
1264 |
1.025 |
184 |
1075 |
|
|
13 |
Bg |
962 |
989 |
1.028 |
184 |
1076 |
|
|
13 |
B |
1381 |
1436 |
1.040 |
184 |
1077 |
|
|
14 |
B |
1239 |
1292 |
1.043 |
184 |
1078 |
|
|
14 |
Bu |
3037 |
2983 |
0.982 |
184 |
1079 |
|
|
15 |
Bu |
1411 |
1461 |
1.035 |
184 |
1080 |
|
|
15 |
B |
1103 |
1146 |
1.039 |
184 |
1081 |
|
|
16 |
B |
854 |
890 |
1.042 |
184 |
1082 |
|
|
16 |
Bu |
1180 |
1232 |
1.044 |
184 |
1083 |
|
|
17 |
Bu |
698 |
728 |
1.044 |
184 |
1084 |
|
|
17 |
B |
663 |
693 |
1.045 |
184 |
1085 |
|
|
18 |
B |
398 |
410 |
1.030 |
184 |
1086 |
|
|
18 |
Bu |
207 |
222 |
1.072 |
184 |
1087 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
2994 |
2951 |
0.986 |
185 |
1088 |
|
|
2 |
A1 |
1335 |
1386 |
1.038 |
185 |
1089 |
|
|
3 |
A1 |
1062 |
1075 |
1.012 |
185 |
1090 |
|
|
4 |
A1 |
513 |
526 |
1.026 |
185 |
1091 |
|
|
5 |
A1 |
335 |
344 |
1.028 |
185 |
1092 |
|
|
6 |
A2 |
284 |
214 |
0.753 |
185 |
1093 |
|
|
7 |
E |
3094 |
3014 |
0.974 |
185 |
1094 |
|
|
8 |
E |
1398 |
1457 |
1.042 |
185 |
1095 |
|
|
9 |
E |
1040 |
1088 |
1.046 |
185 |
1096 |
|
|
10 |
E |
656 |
724 |
1.103 |
185 |
1097 |
|
|
11 |
E |
335 |
351 |
1.049 |
185 |
1098 |
|
|
12 |
E |
230 |
239 |
1.037 |
185 |
1099 |
C3H6 |
Cyclopropane |
1 |
A1' |
3077 |
3038 |
0.987 |
186 |
1100 |
|
|
2 |
A1' |
1459 |
1479 |
1.014 |
186 |
1101 |
|
|
3 |
A1' |
1200 |
1188 |
0.990 |
186 |
1102 |
|
|
4 |
A1" |
1100 |
1126 |
1.023 |
186 |
1103 |
|
|
5 |
A2' |
1009 |
1070 |
1.060 |
186 |
1104 |
|
|
6 |
A2" |
3173 |
3103 |
0.978 |
186 |
1105 |
|
|
7 |
A2" |
829 |
854 |
1.030 |
186 |
1106 |
|
|
8 |
E' |
3070 |
3025 |
0.985 |
186 |
1107 |
|
|
9 |
E' |
1407 |
1438 |
1.022 |
186 |
1108 |
|
|
10 |
E' |
993 |
1029 |
1.036 |
186 |
1109 |
|
|
11 |
E' |
876 |
866 |
0.989 |
186 |
1110 |
|
|
12 |
E" |
3152 |
3082 |
0.978 |
186 |
1111 |
|
|
13 |
E" |
1155 |
1188 |
1.028 |
186 |
1112 |
|
|
14 |
E" |
707 |
739 |
1.046 |
186 |
1113 |
CH2CHCH3 |
Propene |
1 |
A' |
3164 |
3090 |
0.976 |
187 |
1114 |
|
|
2 |
A' |
3076 |
3013 |
0.980 |
187 |
1115 |
|
|
3 |
A' |
3067 |
2991 |
0.975 |
187 |
1116 |
|
|
4 |
A' |
3049 |
2954 |
0.969 |
187 |
1117 |
|
|
5 |
A' |
2955 |
2871 |
0.971 |
187 |
1118 |
|
|
6 |
A' |
1663 |
1650 |
0.992 |
187 |
1119 |
|
|
7 |
A' |
1416 |
1470 |
1.038 |
187 |
1120 |
|
|
8 |
A' |
1383 |
1420 |
1.027 |
187 |
1121 |
|
|
9 |
A' |
1328 |
1378 |
1.037 |
187 |
1122 |
|
|
10 |
A' |
1277 |
1297 |
1.016 |
187 |
1123 |
|
|
11 |
A' |
1146 |
1171 |
1.021 |
187 |
1124 |
|
|
12 |
A' |
913 |
963 |
1.054 |
187 |
1125 |
|
|
13 |
A' |
903 |
920 |
1.019 |
187 |
1126 |
|
|
14 |
A' |
410 |
428 |
1.043 |
187 |
1127 |
|
|
15 |
A" |
3015 |
2954 |
0.980 |
187 |
1128 |
|
|
16 |
A" |
1397 |
1443 |
1.033 |
187 |
1129 |
|
|
17 |
A" |
1012 |
1045 |
1.032 |
187 |
1130 |
|
|
18 |
A" |
977 |
991 |
1.014 |
187 |
1131 |
|
|
19 |
A" |
904 |
912 |
1.009 |
187 |
1132 |
|
|
20 |
A" |
566 |
578 |
1.021 |
187 |
1133 |
|
|
21 |
A" |
201 |
174 |
0.866 |
187 |
1134 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3574 |
3523 |
0.986 |
188 |
1135 |
|
|
2 |
A' |
3214 |
3155 |
0.982 |
188 |
1136 |
|
|
3 |
A' |
3194 |
3137 |
0.982 |
188 |
1137 |
|
|
4 |
A' |
3180 |
3126 |
0.983 |
188 |
1138 |
|
|
5 |
A' |
1512 |
1531 |
1.013 |
188 |
1139 |
|
|
6 |
A' |
1439 |
1447 |
1.006 |
188 |
1140 |
|
|
7 |
A' |
1397 |
1395 |
0.999 |
188 |
1141 |
|
|
8 |
A' |
1334 |
1358 |
1.018 |
188 |
1142 |
|
|
9 |
A' |
1236 |
1254 |
1.014 |
188 |
1143 |
|
|
10 |
A' |
1153 |
1159 |
1.005 |
188 |
1144 |
|
|
11 |
A' |
1115 |
1121 |
1.006 |
188 |
1145 |
|
|
12 |
A' |
1021 |
1054 |
1.032 |
188 |
1146 |
|
|
13 |
A' |
1016 |
1009 |
0.993 |
188 |
1147 |
|
|
14 |
A' |
904 |
924 |
1.022 |
188 |
1148 |
|
|
15 |
A' |
885 |
908 |
1.026 |
188 |
1149 |
|
|
16 |
A" |
842 |
879 |
1.043 |
188 |
1150 |
|
|
17 |
A" |
793 |
833 |
1.051 |
188 |
1151 |
|
|
18 |
A" |
715 |
745 |
1.042 |
188 |
1152 |
|
|
19 |
A" |
671 |
674 |
1.004 |
188 |
1153 |
|
|
20 |
A" |
617 |
623 |
1.010 |
188 |
1154 |
|
|
21 |
A" |
531 |
516 |
0.971 |
188 |
1155 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3559 |
3517 |
0.988 |
189 |
1156 |
|
|
2 |
A' |
3214 |
3143 |
0.978 |
189 |
1157 |
|
|
3 |
A' |
3190 |
3123 |
0.979 |
189 |
1158 |
|
|
4 |
A' |
3183 |
3110 |
0.977 |
189 |
1159 |
|
|
5 |
A' |
1503 |
1448 |
0.963 |
189 |
1160 |
|
|
6 |
A' |
1454 |
1404 |
0.966 |
189 |
1161 |
|
|
7 |
A' |
1398 |
1328 |
0.950 |
189 |
1162 |
|
|
8 |
A' |
1332 |
1265 |
0.950 |
189 |
1163 |
|
|
9 |
A' |
1230 |
1188 |
0.966 |
189 |
1164 |
|
|
10 |
A' |
1150 |
1098 |
0.955 |
189 |
1165 |
|
|
11 |
A' |
1107 |
1062 |
0.959 |
189 |
1166 |
|
|
12 |
A' |
1065 |
1013 |
0.951 |
189 |
1167 |
|
|
13 |
A' |
1044 |
988 |
0.946 |
189 |
1168 |
|
|
14 |
A' |
910 |
923 |
1.015 |
189 |
1169 |
|
|
15 |
A' |
868 |
898 |
1.035 |
189 |
1170 |
|
|
16 |
A" |
825 |
831 |
1.008 |
189 |
1171 |
|
|
17 |
A" |
770 |
758 |
0.984 |
189 |
1172 |
|
|
18 |
A" |
698 |
674 |
0.965 |
189 |
1173 |
|
|
19 |
A" |
662 |
663 |
1.001 |
189 |
1174 |
|
|
20 |
A" |
629 |
621 |
0.988 |
189 |
1175 |
|
|
21 |
A" |
540 |
539 |
0.998 |
189 |
1176 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3064 |
2996 |
0.978 |
190 |
1177 |
|
|
2 |
A1 |
2902 |
2817 |
0.971 |
190 |
1178 |
|
|
3 |
A1 |
1433 |
1464 |
1.022 |
190 |
1179 |
|
|
4 |
A1 |
1404 |
1452 |
1.034 |
190 |
1180 |
|
|
5 |
A1 |
1208 |
1244 |
1.030 |
190 |
1181 |
|
|
6 |
A1 |
919 |
928 |
1.010 |
190 |
1182 |
|
|
7 |
A1 |
403 |
418 |
1.037 |
190 |
1183 |
|
|
8 |
A2 |
2952 |
2952 |
1.000 |
190 |
1184 |
|
|
9 |
A2 |
1397 |
1464 |
1.048 |
190 |
1185 |
|
|
10 |
A2 |
1105 |
1150 |
1.041 |
190 |
1186 |
|
|
11 |
A2 |
201 |
203 |
1.010 |
190 |
1187 |
|
|
12 |
B1 |
2945 |
2925 |
0.993 |
190 |
1188 |
|
|
13 |
B1 |
1408 |
1464 |
1.039 |
190 |
1189 |
|
|
14 |
B1 |
1134 |
1179 |
1.040 |
190 |
1190 |
|
|
15 |
B1 |
239 |
242 |
1.012 |
190 |
1191 |
|
|
16 |
B2 |
3063 |
2996 |
0.978 |
190 |
1192 |
|
|
17 |
B2 |
2890 |
2817 |
0.975 |
190 |
1193 |
|
|
18 |
B2 |
1414 |
1464 |
1.035 |
190 |
1194 |
|
|
19 |
B2 |
1377 |
1452 |
1.055 |
190 |
1195 |
|
|
20 |
B2 |
1145 |
1227 |
1.071 |
190 |
1196 |
|
|
21 |
B2 |
1078 |
1102 |
1.023 |
190 |
1197 |
C4H4O |
Furan |
1 |
A1 |
3226 |
3161 |
0.980 |
191 |
1198 |
|
|
2 |
A1 |
3197 |
3140 |
0.982 |
191 |
1199 |
|
|
3 |
A1 |
1469 |
1491 |
1.015 |
191 |
1200 |
|
|
4 |
A1 |
1374 |
1384 |
1.007 |
191 |
1201 |
|
|
5 |
A1 |
1129 |
1140 |
1.010 |
191 |
1202 |
|
|
6 |
A1 |
1063 |
1066 |
1.003 |
191 |
1203 |
|
|
7 |
A1 |
980 |
995 |
1.015 |
191 |
1204 |
|
|
8 |
A1 |
853 |
871 |
1.021 |
191 |
1205 |
|
|
9 |
A2 |
823 |
838 |
1.018 |
191 |
1206 |
|
|
10 |
A2 |
685 |
728 |
1.062 |
191 |
1207 |
|
|
11 |
A2 |
594 |
603 |
1.016 |
191 |
1208 |
|
|
12 |
B1 |
789 |
863 |
1.094 |
191 |
1209 |
|
|
13 |
B1 |
718 |
745 |
1.038 |
191 |
1210 |
|
|
14 |
B1 |
605 |
613 |
1.013 |
191 |
1211 |
|
|
15 |
B2 |
3220 |
3154 |
0.980 |
191 |
1212 |
|
|
16 |
B2 |
3186 |
3129 |
0.982 |
191 |
1213 |
|
|
17 |
B2 |
1542 |
1556 |
1.009 |
191 |
1214 |
|
|
18 |
B2 |
1226 |
1267 |
1.034 |
191 |
1215 |
|
|
19 |
B2 |
1162 |
1180 |
1.015 |
191 |
1216 |
|
|
20 |
B2 |
1018 |
1040 |
1.021 |
191 |
1217 |
|
|
21 |
B2 |
855 |
873 |
1.021 |
191 |
1218 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3034 |
3001 |
0.989 |
192 |
1219 |
|
|
2 |
A' |
3019 |
2935 |
0.972 |
192 |
1220 |
|
|
3 |
A' |
1847 |
1882 |
1.019 |
192 |
1221 |
|
|
4 |
A' |
1453 |
1475 |
1.015 |
192 |
1222 |
|
|
5 |
A' |
1389 |
1427 |
1.027 |
192 |
1223 |
|
|
6 |
A' |
1273 |
1319 |
1.036 |
192 |
1224 |
|
|
7 |
A' |
1160 |
1199 |
1.034 |
192 |
1225 |
|
|
8 |
A' |
1058 |
1093 |
1.033 |
192 |
1226 |
|
|
9 |
A' |
999 |
1005 |
1.006 |
192 |
1227 |
|
|
10 |
A' |
890 |
924 |
1.038 |
192 |
1228 |
|
|
11 |
A' |
871 |
891 |
1.023 |
192 |
1229 |
|
|
12 |
A' |
720 |
746 |
1.035 |
192 |
1230 |
|
|
13 |
A' |
472 |
513 |
1.088 |
192 |
1231 |
|
|
14 |
A" |
3101 |
3028 |
0.977 |
192 |
1232 |
|
|
15 |
A" |
3083 |
3000 |
0.973 |
192 |
1233 |
|
|
16 |
A" |
1152 |
1184 |
1.028 |
192 |
1234 |
|
|
17 |
A" |
1102 |
1139 |
1.034 |
192 |
1235 |
|
|
18 |
A" |
1009 |
1046 |
1.036 |
192 |
1236 |
|
|
19 |
A" |
770 |
790 |
1.026 |
192 |
1237 |
|
|
20 |
A" |
494 |
490 |
0.993 |
192 |
1238 |
|
|
21 |
A" |
183 |
113 |
0.617 |
192 |
1239 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3055 |
2966 |
0.971 |
193 |
1240 |
|
|
1 |
A |
3071 |
2980 |
0.971 |
193 |
1241 |
|
|
2 |
A |
3048 |
2967 |
0.974 |
193 |
1242 |
|
|
2 |
A' |
2996 |
2872 |
0.959 |
193 |
1243 |
|
|
3 |
A' |
2975 |
2872 |
0.965 |
193 |
1244 |
|
|
3 |
A |
3040 |
2930 |
0.964 |
193 |
1245 |
|
|
4 |
A |
2997 |
2902 |
0.968 |
193 |
1246 |
|
|
4 |
A' |
2606 |
2580 |
0.990 |
193 |
1247 |
|
|
5 |
A' |
1425 |
1453 |
1.020 |
193 |
1248 |
|
|
5 |
A |
2967 |
2875 |
0.969 |
193 |
1249 |
|
|
6 |
A |
2602 |
2591 |
0.996 |
193 |
1250 |
|
|
6 |
A' |
1410 |
1453 |
1.030 |
193 |
1251 |
|
|
7 |
A' |
1339 |
1385 |
1.034 |
193 |
1252 |
|
|
7 |
A |
1419 |
1462 |
1.030 |
193 |
1253 |
|
|
8 |
A |
1410 |
1452 |
1.030 |
193 |
1254 |
|
|
8 |
A' |
1230 |
1309 |
1.064 |
193 |
1255 |
|
|
9 |
A' |
1075 |
1097 |
1.020 |
193 |
1256 |
|
|
9 |
A |
1395 |
1437 |
1.030 |
193 |
1257 |
|
|
10 |
A |
1335 |
1377 |
1.031 |
193 |
1258 |
|
|
10 |
A' |
971 |
978 |
1.008 |
193 |
1259 |
|
|
11 |
A' |
819 |
870 |
1.062 |
193 |
1260 |
|
|
11 |
A |
1237 |
1269 |
1.026 |
193 |
1261 |
|
|
12 |
A |
1220 |
1246 |
1.021 |
193 |
1262 |
|
|
12 |
A' |
653 |
660 |
1.011 |
193 |
1263 |
|
|
13 |
A' |
293 |
332 |
1.132 |
193 |
1264 |
|
|
13 |
A |
1073 |
1093 |
1.018 |
193 |
1265 |
|
|
14 |
A |
1031 |
1051 |
1.019 |
193 |
1266 |
|
|
14 |
A" |
3067 |
2966 |
0.967 |
193 |
1267 |
|
|
15 |
A" |
3043 |
2930 |
0.963 |
193 |
1268 |
|
|
15 |
A |
956 |
970 |
1.015 |
193 |
1269 |
|
|
16 |
A |
833 |
867 |
1.040 |
193 |
1270 |
|
|
16 |
A" |
1413 |
1453 |
1.028 |
193 |
1271 |
|
|
17 |
A" |
1212 |
1269 |
1.047 |
193 |
1272 |
|
|
17 |
A |
708 |
735 |
1.038 |
193 |
1273 |
|
|
18 |
A |
636 |
658 |
1.034 |
193 |
1274 |
|
|
18 |
A" |
996 |
1049 |
1.054 |
193 |
1275 |
|
|
19 |
A" |
758 |
745 |
0.983 |
193 |
1276 |
|
|
19 |
A |
318 |
319 |
1.002 |
193 |
1277 |
|
|
20 |
A |
251 |
|
|
193 |
1278 |
|
|
21 |
A |
204 |
|
|
193 |
1279 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3080 |
2998 |
0.973 |
194 |
1280 |
|
|
2 |
A1 |
2961 |
2930 |
0.989 |
194 |
1281 |
|
|
3 |
A1 |
1399 |
1444 |
1.032 |
194 |
1282 |
|
|
4 |
A1 |
1280 |
1331 |
1.040 |
194 |
1283 |
|
|
5 |
A1 |
999 |
973 |
0.974 |
194 |
1284 |
|
|
6 |
A1 |
677 |
695 |
1.027 |
194 |
1285 |
|
|
7 |
A1 |
248 |
282 |
1.135 |
194 |
1286 |
|
|
8 |
A2 |
3054 |
2952 |
0.967 |
194 |
1287 |
|
|
9 |
A2 |
1376 |
1420 |
1.032 |
194 |
1288 |
|
|
10 |
A2 |
898 |
919 |
1.023 |
194 |
1289 |
|
|
12 |
B1 |
3045 |
2970 |
0.975 |
194 |
1290 |
|
|
13 |
B1 |
1386 |
1439 |
1.038 |
194 |
1291 |
|
|
14 |
B1 |
935 |
973 |
1.041 |
194 |
1292 |
|
|
15 |
B1 |
176 |
182 |
1.036 |
194 |
1293 |
|
|
16 |
B2 |
3081 |
2998 |
0.973 |
194 |
1294 |
|
|
17 |
B2 |
2965 |
2930 |
0.988 |
194 |
1295 |
|
|
18 |
B2 |
1390 |
1444 |
1.039 |
194 |
1296 |
|
|
19 |
B2 |
1253 |
1315 |
1.049 |
194 |
1297 |
|
|
20 |
B2 |
864 |
903 |
1.046 |
194 |
1298 |
|
|
21 |
B2 |
725 |
743 |
1.025 |
194 |
1299 |
C4H4S |
Thiophene |
1 |
A1 |
3193 |
3126 |
0.979 |
195 |
1300 |
|
|
2 |
A1 |
3157 |
3098 |
0.981 |
195 |
1301 |
|
|
3 |
A1 |
1426 |
1409 |
0.988 |
195 |
1302 |
|
|
4 |
A1 |
1345 |
1360 |
1.011 |
195 |
1303 |
|
|
5 |
A1 |
1054 |
1083 |
1.028 |
195 |
1304 |
|
|
6 |
A1 |
1034 |
1036 |
1.002 |
195 |
1305 |
|
|
7 |
A1 |
825 |
872 |
1.057 |
195 |
1306 |
|
|
8 |
A1 |
595 |
608 |
1.021 |
195 |
1307 |
|
|
9 |
A2 |
861 |
867 |
1.007 |
195 |
1308 |
|
|
10 |
A2 |
648 |
688 |
1.062 |
195 |
1309 |
|
|
11 |
A2 |
557 |
567 |
1.018 |
195 |
1310 |
|
|
12 |
B1 |
822 |
839 |
1.021 |
195 |
1311 |
|
|
13 |
B1 |
692 |
712 |
1.029 |
195 |
1312 |
|
|
14 |
B1 |
444 |
452 |
1.018 |
195 |
1313 |
|
|
15 |
B2 |
3191 |
3125 |
0.979 |
195 |
1314 |
|
|
16 |
B2 |
3144 |
3086 |
0.982 |
195 |
1315 |
|
|
17 |
B2 |
1502 |
1504 |
1.001 |
195 |
1316 |
|
|
18 |
B2 |
1216 |
1256 |
1.033 |
195 |
1317 |
|
|
19 |
B2 |
1057 |
1085 |
1.026 |
195 |
1318 |
|
|
20 |
B2 |
845 |
903 |
1.068 |
195 |
1319 |
|
|
21 |
B2 |
733 |
751 |
1.025 |
195 |
1320 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3175 |
3087 |
0.972 |
196 |
1321 |
|
|
2 |
Ag |
3079 |
3003 |
0.975 |
196 |
1322 |
|
|
3 |
Ag |
3069 |
2992 |
0.975 |
196 |
1323 |
|
|
4 |
Ag |
1652 |
1630 |
0.987 |
196 |
1324 |
|
|
5 |
Ag |
1413 |
1438 |
1.017 |
196 |
1325 |
|
|
6 |
Ag |
1265 |
1280 |
1.012 |
196 |
1326 |
|
|
7 |
Ag |
1192 |
1196 |
1.004 |
196 |
1327 |
|
|
8 |
Ag |
880 |
894 |
1.016 |
196 |
1328 |
|
|
9 |
Ag |
502 |
512 |
1.020 |
196 |
1329 |
|
|
10 |
Au |
1014 |
1013 |
0.999 |
196 |
1330 |
|
|
11 |
Au |
904 |
908 |
1.005 |
196 |
1331 |
|
|
12 |
Au |
523 |
522 |
0.998 |
196 |
1332 |
|
|
13 |
Au |
183 |
162 |
0.886 |
196 |
1333 |
|
|
14 |
Bg |
959 |
976 |
1.017 |
196 |
1334 |
|
|
15 |
Bg |
904 |
912 |
1.009 |
196 |
1335 |
|
|
16 |
Bg |
756 |
770 |
1.019 |
196 |
1336 |
|
|
17 |
Bu |
3176 |
3101 |
0.977 |
196 |
1337 |
|
|
18 |
Bu |
3083 |
3055 |
0.991 |
196 |
1338 |
|
|
19 |
Bu |
3076 |
2984 |
0.970 |
196 |
1339 |
|
|
20 |
Bu |
1600 |
1596 |
0.998 |
196 |
1340 |
|
|
21 |
Bu |
1357 |
1381 |
1.018 |
196 |
1341 |
|
|
22 |
Bu |
1264 |
1294 |
1.023 |
196 |
1342 |
|
|
23 |
Bu |
959 |
990 |
1.032 |
196 |
1343 |
|
|
24 |
Bu |
288 |
301 |
1.046 |
196 |
1344 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
2957 |
2916 |
0.986 |
197 |
1345 |
|
|
2 |
A1' |
2296 |
2240 |
0.976 |
197 |
1346 |
|
|
3 |
A1' |
1339 |
1380 |
1.030 |
197 |
1347 |
|
|
4 |
A1' |
723 |
725 |
1.003 |
197 |
1348 |
|
|
6 |
A2" |
2958 |
2938 |
0.993 |
197 |
1349 |
|
|
7 |
A2" |
1341 |
1382 |
1.030 |
197 |
1350 |
|
|
8 |
A2" |
1169 |
1152 |
0.986 |
197 |
1351 |
|
|
9 |
E' |
3029 |
2973 |
0.982 |
197 |
1352 |
|
|
10 |
E' |
1400 |
1456 |
1.040 |
197 |
1353 |
|
|
11 |
E' |
1007 |
1054 |
1.047 |
197 |
1354 |
|
|
12 |
E' |
188 |
213 |
1.132 |
197 |
1355 |
|
|
13 |
E" |
3030 |
2966 |
0.979 |
197 |
1356 |
|
|
14 |
E" |
1400 |
1448 |
1.035 |
197 |
1357 |
|
|
15 |
E" |
969 |
1029 |
1.062 |
197 |
1358 |
|
|
16 |
E" |
260 |
371 |
1.429 |
197 |
1359 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3076 |
3061 |
0.995 |
198 |
1360 |
|
|
2 |
A' |
3057 |
3010 |
0.985 |
198 |
1361 |
|
|
3 |
A' |
3054 |
2965 |
0.971 |
198 |
1362 |
|
|
4 |
A' |
2961 |
2905 |
0.981 |
198 |
1363 |
|
|
5 |
A' |
2008 |
1970 |
0.981 |
198 |
1364 |
|
|
6 |
A' |
1434 |
1453 |
1.013 |
198 |
1365 |
|
|
7 |
A' |
1400 |
1437 |
1.027 |
198 |
1366 |
|
|
8 |
A' |
1328 |
1389 |
1.046 |
198 |
1367 |
|
|
9 |
A' |
1304 |
1330 |
1.020 |
198 |
1368 |
|
|
10 |
A' |
1125 |
1132 |
1.007 |
198 |
1369 |
|
|
11 |
A' |
1044 |
1074 |
1.029 |
198 |
1370 |
|
|
12 |
A' |
859 |
876 |
1.019 |
198 |
1371 |
|
|
13 |
A' |
831 |
859 |
1.033 |
198 |
1372 |
|
|
14 |
A' |
540 |
555 |
1.027 |
198 |
1373 |
|
|
15 |
A' |
197 |
210 |
1.067 |
198 |
1374 |
|
|
16 |
A" |
3134 |
3061 |
0.977 |
198 |
1375 |
|
|
17 |
A" |
3022 |
2965 |
0.981 |
198 |
1376 |
|
|
18 |
A" |
1402 |
1453 |
1.036 |
198 |
1377 |
|
|
19 |
A" |
1002 |
1110 |
1.107 |
198 |
1378 |
|
|
20 |
A" |
962 |
1011 |
1.051 |
198 |
1379 |
|
|
21 |
A" |
855 |
842 |
0.985 |
198 |
1380 |
|
|
22 |
A" |
516 |
523 |
1.014 |
198 |
1381 |
|
|
23 |
A" |
298 |
322 |
1.080 |
198 |
1382 |
C4H6 |
Cyclobutene |
1 |
A1 |
3132 |
3060 |
0.977 |
199 |
1383 |
|
|
2 |
A1 |
2978 |
2935 |
0.986 |
199 |
1384 |
|
|
3 |
A1 |
1584 |
1570 |
0.991 |
199 |
1385 |
|
|
4 |
A1 |
1414 |
1450 |
1.025 |
199 |
1386 |
|
|
5 |
A1 |
1157 |
1276 |
1.103 |
199 |
1387 |
|
|
6 |
A1 |
1106 |
1186 |
1.072 |
199 |
1388 |
|
|
7 |
A1 |
974 |
1113 |
1.142 |
199 |
1389 |
|
|
8 |
A1 |
880 |
886 |
1.007 |
199 |
1390 |
|
|
9 |
A2 |
3019 |
2955 |
0.979 |
199 |
1391 |
|
|
10 |
A2 |
1117 |
1276 |
1.142 |
199 |
1392 |
|
|
11 |
A2 |
984 |
1081 |
1.098 |
199 |
1393 |
|
|
12 |
A2 |
857 |
850 |
0.992 |
199 |
1394 |
|
|
13 |
A2 |
300 |
325 |
1.084 |
199 |
1395 |
|
|
14 |
B1 |
3032 |
2955 |
0.975 |
199 |
1396 |
|
|
15 |
B1 |
1046 |
1074 |
1.027 |
199 |
1397 |
|
|
16 |
B1 |
827 |
846 |
1.022 |
199 |
1398 |
|
|
17 |
B1 |
608 |
635 |
1.045 |
199 |
1399 |
|
|
18 |
B2 |
3099 |
3047 |
0.983 |
199 |
1400 |
|
|
19 |
B2 |
2973 |
2916 |
0.981 |
199 |
1401 |
|
|
20 |
B2 |
1394 |
1427 |
1.023 |
199 |
1402 |
|
|
21 |
B2 |
1269 |
1294 |
1.019 |
199 |
1403 |
|
|
22 |
B2 |
1167 |
1214 |
1.040 |
199 |
1404 |
|
|
23 |
B2 |
881 |
888 |
1.008 |
199 |
1405 |
|
|
24 |
B2 |
829 |
740 |
0.893 |
199 |
1406 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3065 |
3010 |
0.982 |
200 |
1407 |
|
|
2 |
A1 |
3044 |
3002 |
0.986 |
200 |
1408 |
|
|
3 |
A1 |
1793 |
1743 |
0.972 |
200 |
1409 |
|
|
4 |
A1 |
1419 |
1437 |
1.013 |
200 |
1410 |
|
|
5 |
A1 |
1379 |
1410 |
1.023 |
200 |
1411 |
|
|
6 |
A1 |
1049 |
1036 |
0.988 |
200 |
1412 |
|
|
7 |
A1 |
975 |
1002 |
1.028 |
200 |
1413 |
|
|
8 |
A1 |
732 |
723 |
0.988 |
200 |
1414 |
|
|
9 |
A2 |
3121 |
3051 |
0.977 |
200 |
1415 |
|
|
10 |
A2 |
1113 |
1144 |
1.027 |
200 |
1416 |
|
|
11 |
A2 |
911 |
937 |
1.028 |
200 |
1417 |
|
|
12 |
A2 |
584 |
616 |
1.054 |
200 |
1418 |
|
|
13 |
B1 |
3134 |
3071 |
0.980 |
200 |
1419 |
|
|
14 |
B1 |
1040 |
1072 |
1.031 |
200 |
1420 |
|
|
15 |
B1 |
879 |
889 |
1.012 |
200 |
1421 |
|
|
16 |
B1 |
721 |
748 |
1.037 |
200 |
1422 |
|
|
17 |
B1 |
263 |
360 |
1.370 |
200 |
1423 |
|
|
18 |
B2 |
3156 |
3086 |
0.978 |
200 |
1424 |
|
|
19 |
B2 |
3043 |
2999 |
0.985 |
200 |
1425 |
|
|
20 |
B2 |
1382 |
1353 |
0.979 |
200 |
1426 |
|
|
21 |
B2 |
1100 |
1174 |
1.068 |
200 |
1427 |
|
|
22 |
B2 |
1004 |
1125 |
1.120 |
200 |
1428 |
|
|
23 |
B2 |
878 |
792 |
0.902 |
200 |
1429 |
|
|
24 |
B2 |
341 |
290 |
0.851 |
200 |
1430 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3384 |
3345 |
0.988 |
201 |
1431 |
|
|
2 |
A' |
3034 |
2985 |
0.984 |
201 |
1432 |
|
|
3 |
A' |
2968 |
2840 |
0.957 |
201 |
1433 |
|
|
4 |
A' |
2953 |
2860 |
0.968 |
201 |
1434 |
|
|
5 |
A' |
1592 |
1622 |
1.019 |
201 |
1435 |
|
|
6 |
A' |
1428 |
1487 |
1.041 |
201 |
1436 |
|
|
7 |
A' |
1409 |
1465 |
1.039 |
201 |
1437 |
|
|
8 |
A' |
1336 |
1378 |
1.032 |
201 |
1438 |
|
|
9 |
A' |
1310 |
1397 |
1.066 |
201 |
1439 |
|
|
10 |
A' |
1113 |
1016 |
0.913 |
201 |
1440 |
|
|
11 |
A' |
1045 |
1086 |
1.039 |
201 |
1441 |
|
|
12 |
A' |
867 |
892 |
1.029 |
201 |
1442 |
|
|
13 |
A' |
819 |
773 |
0.944 |
201 |
1443 |
|
|
14 |
A' |
391 |
403 |
1.031 |
201 |
1444 |
|
|
15 |
A" |
3467 |
3412 |
0.984 |
201 |
1445 |
|
|
16 |
A" |
3041 |
2924 |
0.962 |
201 |
1446 |
|
|
17 |
A" |
3004 |
2906 |
0.967 |
201 |
1447 |
|
|
18 |
A" |
1415 |
1455 |
1.028 |
201 |
1448 |
|
|
19 |
A" |
1335 |
1238 |
0.928 |
201 |
1449 |
|
|
20 |
A" |
1216 |
1293 |
1.063 |
201 |
1450 |
|
|
21 |
A" |
969 |
1117 |
1.152 |
201 |
1451 |
|
|
22 |
A" |
751 |
816 |
1.087 |
201 |
1452 |
|
|
23 |
A" |
274 |
259 |
0.944 |
201 |
1453 |
|
|
24 |
A" |
241 |
218 |
0.904 |
201 |
1454 |
C4H5N |
Pyrrole |
1 |
A1 |
3586 |
3531 |
0.985 |
202 |
1455 |
|
|
2 |
A1 |
3211 |
3149 |
0.981 |
202 |
1456 |
|
|
3 |
A1 |
3190 |
3128 |
0.981 |
202 |
1457 |
|
|
4 |
A1 |
1455 |
1472 |
1.012 |
202 |
1458 |
|
|
5 |
A1 |
1391 |
1401 |
1.007 |
202 |
1459 |
|
|
6 |
A1 |
1151 |
1148 |
0.998 |
202 |
1460 |
|
|
7 |
A1 |
1063 |
1075 |
1.011 |
202 |
1461 |
|
|
8 |
A1 |
1005 |
1017 |
1.012 |
202 |
1462 |
|
|
9 |
A1 |
865 |
882 |
1.019 |
202 |
1463 |
|
|
10 |
A2 |
823 |
864 |
1.050 |
202 |
1464 |
|
|
11 |
A2 |
655 |
692 |
1.057 |
202 |
1465 |
|
|
12 |
A2 |
608 |
614 |
1.011 |
202 |
1466 |
|
|
13 |
B1 |
783 |
827 |
1.056 |
202 |
1467 |
|
|
14 |
B1 |
698 |
722 |
1.035 |
202 |
1468 |
|
|
15 |
B1 |
625 |
621 |
0.994 |
202 |
1469 |
|
|
16 |
B1 |
497 |
475 |
0.955 |
202 |
1470 |
|
|
17 |
B2 |
3205 |
3143 |
0.981 |
202 |
1471 |
|
|
18 |
B2 |
3178 |
3119 |
0.981 |
202 |
1472 |
|
|
19 |
B2 |
1523 |
1519 |
0.997 |
202 |
1473 |
|
|
20 |
B2 |
1420 |
1424 |
1.003 |
202 |
1474 |
|
|
21 |
B2 |
1254 |
1288 |
1.028 |
202 |
1475 |
|
|
22 |
B2 |
1123 |
1134 |
1.010 |
202 |
1476 |
|
|
23 |
B2 |
1031 |
1049 |
1.018 |
202 |
1477 |
|
|
24 |
B2 |
842 |
866 |
1.028 |
202 |
1478 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3192 |
3120 |
0.978 |
203 |
1479 |
|
|
2 |
A' |
3111 |
3052 |
0.981 |
203 |
1480 |
|
|
3 |
A' |
3089 |
3044 |
0.985 |
203 |
1481 |
|
|
4 |
A' |
2248 |
2264 |
1.007 |
203 |
1482 |
|
|
5 |
A' |
1444 |
1468 |
1.017 |
203 |
1483 |
|
|
6 |
A' |
1330 |
1344 |
1.011 |
203 |
1484 |
|
|
7 |
A' |
1187 |
1195 |
1.006 |
203 |
1485 |
|
|
8 |
A' |
1095 |
1125 |
1.027 |
203 |
1486 |
|
|
9 |
A' |
1010 |
1049 |
1.039 |
203 |
1487 |
|
|
10 |
A' |
948 |
941 |
0.992 |
203 |
1488 |
|
|
11 |
A' |
789 |
808 |
1.024 |
203 |
1489 |
|
|
12 |
A' |
735 |
736 |
1.001 |
203 |
1490 |
|
|
13 |
A' |
511 |
527 |
1.031 |
203 |
1491 |
|
|
14 |
A' |
204 |
222 |
1.087 |
203 |
1492 |
|
|
15 |
A" |
3178 |
3094 |
0.974 |
203 |
1493 |
|
|
16 |
A" |
3086 |
3040 |
0.985 |
203 |
1494 |
|
|
17 |
A" |
1407 |
1442 |
1.025 |
203 |
1495 |
|
|
18 |
A" |
1148 |
1180 |
1.028 |
203 |
1496 |
|
|
19 |
A" |
1052 |
1070 |
1.017 |
203 |
1497 |
|
|
20 |
A" |
1022 |
1088 |
1.064 |
203 |
1498 |
|
|
21 |
A" |
867 |
880 |
1.015 |
203 |
1499 |
|
|
22 |
A" |
797 |
821 |
1.030 |
203 |
1500 |
|
|
23 |
A" |
526 |
543 |
1.032 |
203 |
1501 |
|
|
24 |
A" |
205 |
222 |
1.084 |
203 |
1502 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3136 |
3063 |
0.977 |
204 |
1503 |
|
|
2 |
A1 |
3108 |
3043 |
0.979 |
204 |
1504 |
|
|
3 |
A1 |
1563 |
1572 |
1.006 |
204 |
1505 |
|
|
4 |
A1 |
1426 |
1414 |
0.992 |
204 |
1506 |
|
|
5 |
A1 |
1187 |
1283 |
1.081 |
204 |
1507 |
|
|
6 |
A1 |
1124 |
1160 |
1.032 |
204 |
1508 |
|
|
7 |
A1 |
1063 |
1063 |
1.000 |
204 |
1509 |
|
|
8 |
A1 |
987 |
964 |
0.977 |
204 |
1510 |
|
|
9 |
A1 |
652 |
619 |
0.949 |
204 |
1511 |
|
|
10 |
A2 |
975 |
936 |
0.960 |
204 |
1512 |
|
|
11 |
A2 |
903 |
863 |
0.955 |
204 |
1513 |
|
|
12 |
A2 |
756 |
751 |
0.994 |
204 |
1514 |
|
|
13 |
A2 |
346 |
421 |
1.217 |
204 |
1515 |
|
|
14 |
B1 |
939 |
|
|
204 |
1516 |
|
|
15 |
B1 |
723 |
760 |
1.050 |
204 |
1517 |
|
|
16 |
B1 |
338 |
370 |
1.095 |
204 |
1518 |
|
|
17 |
B2 |
3123 |
3075 |
0.985 |
204 |
1519 |
|
|
18 |
B2 |
3104 |
3043 |
0.980 |
204 |
1520 |
|
|
19 |
B2 |
1556 |
1565 |
1.006 |
204 |
1521 |
|
|
20 |
B2 |
1375 |
1444 |
1.050 |
204 |
1522 |
|
|
21 |
B2 |
1256 |
1239 |
0.987 |
204 |
1523 |
|
|
22 |
B2 |
1050 |
1052 |
1.002 |
204 |
1524 |
|
|
23 |
B2 |
1019 |
1009 |
0.990 |
204 |
1525 |
|
|
24 |
B2 |
605 |
664 |
1.097 |
204 |
1526 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3134 |
3082 |
0.983 |
205 |
1527 |
|
|
2 |
A1 |
3098 |
3053 |
0.986 |
205 |
1528 |
|
|
3 |
A1 |
3084 |
3049 |
0.989 |
205 |
1529 |
|
|
4 |
A1 |
1562 |
1572 |
1.006 |
205 |
1530 |
|
|
5 |
A1 |
1384 |
1465 |
1.058 |
205 |
1531 |
|
|
6 |
A1 |
1125 |
1155 |
1.027 |
205 |
1532 |
|
|
7 |
A1 |
1050 |
1065 |
1.014 |
205 |
1533 |
|
|
8 |
A1 |
975 |
969 |
0.993 |
205 |
1534 |
|
|
9 |
A1 |
667 |
679 |
1.018 |
205 |
1535 |
|
|
10 |
A2 |
960 |
960 |
1.000 |
205 |
1536 |
|
|
11 |
A2 |
382 |
398 |
1.043 |
205 |
1537 |
|
|
12 |
B1 |
983 |
1033 |
1.051 |
205 |
1538 |
|
|
13 |
B1 |
940 |
980 |
1.043 |
205 |
1539 |
|
|
14 |
B1 |
787 |
804 |
1.021 |
205 |
1540 |
|
|
15 |
B1 |
715 |
719 |
1.006 |
205 |
1541 |
|
|
16 |
B1 |
317 |
347 |
1.095 |
205 |
1542 |
|
|
17 |
B2 |
3087 |
3047 |
0.987 |
205 |
1543 |
|
|
18 |
B2 |
1563 |
1569 |
1.004 |
205 |
1544 |
|
|
19 |
B2 |
1435 |
1411 |
0.984 |
205 |
1545 |
|
|
20 |
B2 |
1334 |
1356 |
1.016 |
205 |
1546 |
|
|
21 |
B2 |
1258 |
1224 |
0.973 |
205 |
1547 |
|
|
22 |
B2 |
1197 |
1158 |
0.968 |
205 |
1548 |
|
|
23 |
B2 |
1056 |
1071 |
1.014 |
205 |
1549 |
|
|
24 |
B2 |
608 |
621 |
1.022 |
205 |
1550 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3103 |
3055 |
0.985 |
206 |
1551 |
|
|
2 |
Ag |
1567 |
1580 |
1.008 |
206 |
1552 |
|
|
3 |
Ag |
1210 |
1233 |
1.019 |
206 |
1553 |
|
|
4 |
Ag |
1013 |
1016 |
1.003 |
206 |
1554 |
|
|
5 |
Ag |
586 |
602 |
1.028 |
206 |
1555 |
|
|
6 |
Au |
960 |
960 |
1.000 |
206 |
1556 |
|
|
7 |
Au |
312 |
350 |
1.123 |
206 |
1557 |
|
|
8 |
B1g |
909 |
927 |
1.019 |
206 |
1558 |
|
|
9 |
B1u |
3082 |
3012 |
0.977 |
206 |
1559 |
|
|
10 |
B1u |
1454 |
1483 |
1.020 |
206 |
1560 |
|
|
11 |
B1u |
1130 |
1130 |
1.000 |
206 |
1561 |
|
|
12 |
B1u |
997 |
1018 |
1.021 |
206 |
1562 |
|
|
13 |
B2g |
946 |
983 |
1.040 |
206 |
1563 |
|
|
14 |
B2g |
755 |
756 |
1.001 |
206 |
1564 |
|
|
15 |
B2u |
3097 |
3069 |
0.991 |
206 |
1565 |
|
|
16 |
B2u |
1391 |
1411 |
1.014 |
206 |
1566 |
|
|
17 |
B2u |
1254 |
1149 |
0.916 |
206 |
1567 |
|
|
18 |
B2u |
1056 |
1063 |
1.006 |
206 |
1568 |
|
|
19 |
B3g |
3083 |
3040 |
0.986 |
206 |
1569 |
|
|
20 |
B3g |
1537 |
1525 |
0.992 |
206 |
1570 |
|
|
21 |
B3g |
1316 |
1346 |
1.023 |
206 |
1571 |
|
|
22 |
B3g |
694 |
704 |
1.015 |
206 |
1572 |
|
|
23 |
B3u |
770 |
785 |
1.019 |
206 |
1573 |
|
|
24 |
B3u |
408 |
418 |
1.026 |
206 |
1574 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3710 |
3675 |
0.991 |
207 |
1575 |
|
|
2 |
A |
3170 |
3102 |
0.979 |
207 |
1576 |
|
|
3 |
A |
3091 |
3022 |
0.978 |
207 |
1577 |
|
|
4 |
A |
3073 |
2995 |
0.975 |
207 |
1578 |
|
|
5 |
A |
2950 |
2934 |
0.995 |
207 |
1579 |
|
|
6 |
A |
2904 |
2866 |
0.987 |
207 |
1580 |
|
|
7 |
A |
1665 |
1654 |
0.993 |
207 |
1581 |
|
|
8 |
A |
1426 |
1453 |
1.019 |
207 |
1582 |
|
|
9 |
A |
1402 |
1414 |
1.008 |
207 |
1583 |
|
|
10 |
A |
1351 |
1384 |
1.024 |
207 |
1584 |
|
|
11 |
A |
1264 |
1320 |
1.044 |
207 |
1585 |
|
|
12 |
A |
1222 |
1293 |
1.058 |
207 |
1586 |
|
|
13 |
A |
1180 |
1191 |
1.009 |
207 |
1587 |
|
|
14 |
A |
1117 |
1132 |
1.013 |
207 |
1588 |
|
|
15 |
A |
1015 |
1110 |
1.094 |
207 |
1589 |
|
|
16 |
A |
978 |
1038 |
1.061 |
207 |
1590 |
|
|
17 |
A |
928 |
995 |
1.072 |
207 |
1591 |
|
|
18 |
A |
920 |
919 |
0.999 |
207 |
1592 |
|
|
19 |
A |
892 |
885 |
0.992 |
207 |
1593 |
|
|
20 |
A |
630 |
606 |
0.962 |
207 |
1594 |
|
|
22 |
A |
319 |
377 |
1.181 |
207 |
1595 |
|
|
23 |
A |
248 |
277 |
1.119 |
207 |
1596 |
|
|
24 |
A |
110 |
188 |
1.705 |
207 |
1597 |
CH3CH2CHO |
Propanal |
1 |
A' |
3073 |
2981 |
0.970 |
208 |
1598 |
|
|
2 |
A' |
2990 |
2904 |
0.971 |
208 |
1599 |
|
|
3 |
A' |
2947 |
2895 |
0.982 |
208 |
1600 |
|
|
4 |
A' |
2783 |
2809 |
1.009 |
208 |
1601 |
|
|
5 |
A' |
1739 |
1743 |
1.002 |
208 |
1602 |
|
|
6 |
A' |
1422 |
1460 |
1.027 |
208 |
1603 |
|
|
7 |
A' |
1375 |
1416 |
1.030 |
208 |
1604 |
|
|
8 |
A' |
1351 |
1390 |
1.029 |
208 |
1605 |
|
|
9 |
A' |
1337 |
1376 |
1.029 |
208 |
1606 |
|
|
10 |
A' |
1300 |
1335 |
1.027 |
208 |
1607 |
|
|
11 |
A' |
1080 |
1093 |
1.012 |
208 |
1608 |
|
|
12 |
A' |
970 |
993 |
1.023 |
208 |
1609 |
|
|
13 |
A' |
843 |
848 |
1.006 |
208 |
1610 |
|
|
14 |
A' |
649 |
668 |
1.030 |
208 |
1611 |
|
|
15 |
A' |
241 |
271 |
1.123 |
208 |
1612 |
|
|
16 |
A" |
3071 |
2992 |
0.974 |
208 |
1613 |
|
|
17 |
A" |
2976 |
2942 |
0.989 |
208 |
1614 |
|
|
18 |
A" |
1415 |
1451 |
1.026 |
208 |
1615 |
|
|
19 |
A" |
1218 |
1250 |
1.026 |
208 |
1616 |
|
|
20 |
A" |
1087 |
1118 |
1.029 |
208 |
1617 |
|
|
21 |
A" |
861 |
892 |
1.036 |
208 |
1618 |
|
|
22 |
A" |
630 |
660 |
1.047 |
208 |
1619 |
|
|
23 |
A" |
219 |
220 |
1.003 |
208 |
1620 |
|
|
24 |
A" |
128 |
135 |
1.051 |
208 |
1621 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3086 |
3018 |
0.978 |
209 |
1622 |
|
|
2 |
A |
3037 |
2985 |
0.983 |
209 |
1623 |
|
|
3 |
A |
2995 |
2958 |
0.988 |
209 |
1624 |
|
|
4 |
A |
2924 |
2945 |
1.007 |
209 |
1625 |
|
|
5 |
A |
2914 |
2922 |
1.003 |
209 |
1626 |
|
|
6 |
A |
2252 |
2245 |
0.997 |
209 |
1627 |
|
|
7 |
A |
1424 |
1472 |
1.034 |
209 |
1628 |
|
|
8 |
A |
1408 |
1452 |
1.031 |
209 |
1629 |
|
|
9 |
A |
1397 |
1439 |
1.030 |
209 |
1630 |
|
|
10 |
A |
1385 |
1431 |
1.033 |
209 |
1631 |
|
|
11 |
A |
1307 |
1368 |
1.047 |
209 |
1632 |
|
|
12 |
A |
1244 |
1287 |
1.034 |
209 |
1633 |
|
|
13 |
A |
1154 |
1199 |
1.039 |
209 |
1634 |
|
|
14 |
A |
1119 |
1161 |
1.037 |
209 |
1635 |
|
|
15 |
A |
1098 |
1127 |
1.026 |
209 |
1636 |
|
|
16 |
A |
976 |
1016 |
1.041 |
209 |
1637 |
|
|
17 |
A |
910 |
925 |
1.017 |
209 |
1638 |
|
|
18 |
A |
878 |
890 |
1.014 |
209 |
1639 |
|
|
19 |
A |
576 |
586 |
1.017 |
209 |
1640 |
|
|
20 |
A |
375 |
404 |
1.078 |
209 |
1641 |
|
|
21 |
A |
338 |
347 |
1.026 |
209 |
1642 |
|
|
22 |
A |
237 |
243 |
1.025 |
209 |
1643 |
|
|
23 |
A |
167 |
170 |
1.020 |
209 |
1644 |
|
|
24 |
A |
109 |
113 |
1.035 |
209 |
1645 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3091 |
2990 |
0.967 |
210 |
1646 |
|
|
2 |
A |
3072 |
2983 |
0.971 |
210 |
1647 |
|
|
3 |
A |
2974 |
2913 |
0.979 |
210 |
1648 |
|
|
4 |
A |
1385 |
1426 |
1.030 |
210 |
1649 |
|
|
5 |
A |
1373 |
1419 |
1.033 |
210 |
1650 |
|
|
6 |
A |
1254 |
1311 |
1.046 |
210 |
1651 |
|
|
7 |
A |
917 |
955 |
1.042 |
210 |
1652 |
|
|
8 |
A |
911 |
949 |
1.041 |
210 |
1653 |
|
|
9 |
A |
665 |
694 |
1.044 |
210 |
1654 |
|
|
10 |
A |
485 |
509 |
1.049 |
210 |
1655 |
|
|
11 |
A |
220 |
240 |
1.091 |
210 |
1656 |
|
|
12 |
A |
151 |
134 |
0.889 |
210 |
1657 |
|
|
13 |
A |
98 |
117 |
1.193 |
210 |
1658 |
|
|
14 |
B |
3091 |
2990 |
0.967 |
210 |
1659 |
|
|
15 |
B |
3073 |
2983 |
0.971 |
210 |
1660 |
|
|
16 |
B |
2973 |
2915 |
0.981 |
210 |
1661 |
|
|
17 |
B |
1388 |
1430 |
1.030 |
210 |
1662 |
|
|
18 |
B |
1367 |
1415 |
1.035 |
210 |
1663 |
|
|
19 |
B |
1246 |
1303 |
1.046 |
210 |
1664 |
|
|
20 |
B |
915 |
955 |
1.043 |
210 |
1665 |
|
|
21 |
B |
906 |
949 |
1.047 |
210 |
1666 |
|
|
22 |
B |
666 |
691 |
1.038 |
210 |
1667 |
|
|
23 |
B |
248 |
274 |
1.103 |
210 |
1668 |
|
|
24 |
B |
148 |
134 |
0.908 |
210 |
1669 |
C3H8 |
Propane |
1 |
A1 |
3047 |
2977 |
0.977 |
211 |
1670 |
|
|
2 |
A1 |
2966 |
2962 |
0.999 |
211 |
1671 |
|
|
3 |
A1 |
2962 |
2887 |
0.975 |
211 |
1672 |
|
|
4 |
A1 |
1436 |
1476 |
1.028 |
211 |
1673 |
|
|
5 |
A1 |
1414 |
1462 |
1.034 |
211 |
1674 |
|
|
6 |
A1 |
1347 |
1392 |
1.033 |
211 |
1675 |
|
|
7 |
A1 |
1129 |
1158 |
1.026 |
211 |
1676 |
|
|
8 |
A1 |
865 |
869 |
1.004 |
211 |
1677 |
|
|
9 |
A1 |
359 |
369 |
1.029 |
211 |
1678 |
|
|
10 |
A2 |
3032 |
2967 |
0.978 |
211 |
1679 |
|
|
11 |
A2 |
1411 |
1451 |
1.028 |
211 |
1680 |
|
|
12 |
A2 |
1259 |
1278 |
1.015 |
211 |
1681 |
|
|
13 |
A2 |
869 |
940 |
1.081 |
211 |
1682 |
|
|
14 |
A2 |
212 |
216 |
1.018 |
211 |
1683 |
|
|
15 |
B1 |
3041 |
2973 |
0.978 |
211 |
1684 |
|
|
16 |
B1 |
2995 |
2968 |
0.991 |
211 |
1685 |
|
|
17 |
B1 |
1431 |
1472 |
1.029 |
211 |
1686 |
|
|
18 |
B1 |
1155 |
1192 |
1.032 |
211 |
1687 |
|
|
19 |
B1 |
719 |
748 |
1.040 |
211 |
1688 |
|
|
20 |
B1 |
263 |
268 |
1.020 |
211 |
1689 |
|
|
21 |
B2 |
3045 |
2968 |
0.975 |
211 |
1690 |
|
|
22 |
B2 |
2960 |
2887 |
0.975 |
211 |
1691 |
|
|
23 |
B2 |
1418 |
1464 |
1.032 |
211 |
1692 |
|
|
24 |
B2 |
1334 |
1378 |
1.033 |
211 |
1693 |
|
|
25 |
B2 |
1296 |
1338 |
1.032 |
211 |
1694 |
|
|
26 |
B2 |
1053 |
1054 |
1.001 |
211 |
1695 |
|
|
27 |
B2 |
889 |
922 |
1.038 |
211 |
1696 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3169 |
3091 |
0.975 |
212 |
1697 |
|
|
2 |
A1 |
3144 |
3075 |
0.978 |
212 |
1698 |
|
|
3 |
A1 |
2956 |
2886 |
0.976 |
212 |
1699 |
|
|
4 |
A1 |
1502 |
1500 |
0.999 |
212 |
1700 |
|
|
5 |
A1 |
1353 |
1378 |
1.018 |
212 |
1701 |
|
|
6 |
A1 |
1328 |
1365 |
1.028 |
212 |
1702 |
|
|
7 |
A1 |
1086 |
1106 |
1.018 |
212 |
1703 |
|
|
8 |
A1 |
1006 |
994 |
0.989 |
212 |
1704 |
|
|
9 |
A1 |
915 |
915 |
1.000 |
212 |
1705 |
|
|
10 |
A1 |
786 |
802 |
1.021 |
212 |
1706 |
|
|
11 |
A2 |
1058 |
1100 |
1.040 |
212 |
1707 |
|
|
12 |
A2 |
886 |
941 |
1.062 |
212 |
1708 |
|
|
13 |
A2 |
667 |
700 |
1.049 |
212 |
1709 |
|
|
14 |
A2 |
503 |
516 |
1.027 |
212 |
1710 |
|
|
15 |
B1 |
2988 |
2900 |
0.971 |
212 |
1711 |
|
|
16 |
B1 |
892 |
925 |
1.037 |
212 |
1712 |
|
|
17 |
B1 |
860 |
891 |
1.036 |
212 |
1713 |
|
|
18 |
B1 |
647 |
664 |
1.026 |
212 |
1714 |
|
|
19 |
B1 |
332 |
350 |
1.053 |
212 |
1715 |
|
|
20 |
B2 |
3163 |
3105 |
0.982 |
212 |
1716 |
|
|
21 |
B2 |
3133 |
3043 |
0.971 |
212 |
1717 |
|
|
22 |
B2 |
1579 |
1580 |
1.001 |
212 |
1718 |
|
|
23 |
B2 |
1261 |
1292 |
1.024 |
212 |
1719 |
|
|
24 |
B2 |
1202 |
1239 |
1.031 |
212 |
1720 |
|
|
25 |
B2 |
1061 |
1090 |
1.028 |
212 |
1721 |
|
|
26 |
B2 |
943 |
959 |
1.017 |
212 |
1722 |
|
|
27 |
B2 |
784 |
805 |
1.027 |
212 |
1723 |
C5H5N |
Pyridine |
1 |
A1 |
3134 |
3094 |
0.987 |
213 |
1724 |
|
|
2 |
A1 |
3111 |
3073 |
0.988 |
213 |
1725 |
|
|
3 |
A1 |
3086 |
3030 |
0.982 |
213 |
1726 |
|
|
4 |
A1 |
1581 |
1584 |
1.002 |
213 |
1727 |
|
|
5 |
A1 |
1454 |
1483 |
1.020 |
213 |
1728 |
|
|
6 |
A1 |
1199 |
1218 |
1.015 |
213 |
1729 |
|
|
7 |
A1 |
1059 |
1072 |
1.013 |
213 |
1730 |
|
|
8 |
A1 |
1020 |
1032 |
1.012 |
213 |
1731 |
|
|
9 |
A1 |
976 |
991 |
1.016 |
213 |
1732 |
|
|
10 |
A1 |
589 |
601 |
1.022 |
213 |
1733 |
|
|
11 |
A2 |
961 |
980 |
1.019 |
213 |
1734 |
|
|
12 |
A2 |
858 |
880 |
1.026 |
213 |
1735 |
|
|
13 |
A2 |
357 |
373 |
1.046 |
213 |
1736 |
|
|
14 |
B1 |
968 |
1007 |
1.040 |
213 |
1737 |
|
|
15 |
B1 |
918 |
937 |
1.020 |
213 |
1738 |
|
|
16 |
B1 |
735 |
744 |
1.012 |
213 |
1739 |
|
|
17 |
B1 |
688 |
700 |
1.018 |
213 |
1740 |
|
|
18 |
B1 |
398 |
403 |
1.014 |
213 |
1741 |
|
|
19 |
B2 |
3125 |
3087 |
0.988 |
213 |
1742 |
|
|
20 |
B2 |
3085 |
3042 |
0.986 |
213 |
1743 |
|
|
21 |
B2 |
1578 |
1581 |
1.002 |
213 |
1744 |
|
|
22 |
B2 |
1418 |
1442 |
1.017 |
213 |
1745 |
|
|
23 |
B2 |
1323 |
1362 |
1.030 |
213 |
1746 |
|
|
24 |
B2 |
1309 |
1227 |
0.937 |
213 |
1747 |
|
|
25 |
B2 |
1127 |
1143 |
1.014 |
213 |
1748 |
|
|
26 |
B2 |
1046 |
1079 |
1.031 |
213 |
1749 |
|
|
27 |
B2 |
642 |
652 |
1.016 |
213 |
1750 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3103 |
3058 |
0.986 |
214 |
1751 |
|
|
2 |
A' |
3073 |
2995 |
0.975 |
214 |
1752 |
|
|
3 |
A' |
3052 |
2963 |
0.971 |
214 |
1753 |
|
|
4 |
A' |
2957 |
2938 |
0.994 |
214 |
1754 |
|
|
5 |
A' |
2777 |
2805 |
1.010 |
214 |
1755 |
|
|
6 |
A' |
1694 |
1720 |
1.016 |
214 |
1756 |
|
|
7 |
A' |
1652 |
1649 |
0.998 |
214 |
1757 |
|
|
8 |
A' |
1405 |
1455 |
1.035 |
214 |
1758 |
|
|
9 |
A' |
1349 |
1391 |
1.031 |
214 |
1759 |
|
|
10 |
A' |
1333 |
1375 |
1.031 |
214 |
1760 |
|
|
11 |
A' |
1274 |
1304 |
1.024 |
214 |
1761 |
|
|
12 |
A' |
1224 |
1253 |
1.024 |
214 |
1762 |
|
|
13 |
A' |
1136 |
1147 |
1.009 |
214 |
1763 |
|
|
14 |
A' |
1084 |
1074 |
0.991 |
214 |
1764 |
|
|
15 |
A' |
908 |
973 |
1.072 |
214 |
1765 |
|
|
16 |
A' |
526 |
539 |
1.024 |
214 |
1766 |
|
|
17 |
A' |
448 |
464 |
1.035 |
214 |
1767 |
|
|
18 |
A' |
203 |
230 |
1.131 |
214 |
1768 |
|
|
19 |
A" |
3014 |
2980 |
0.989 |
214 |
1769 |
|
|
20 |
A" |
1396 |
1455 |
1.042 |
214 |
1770 |
|
|
21 |
A" |
1015 |
1042 |
1.026 |
214 |
1771 |
|
|
22 |
A" |
984 |
973 |
0.989 |
214 |
1772 |
|
|
23 |
A" |
965 |
928 |
0.962 |
214 |
1773 |
|
|
24 |
A" |
769 |
780 |
1.015 |
214 |
1774 |
|
|
25 |
A" |
296 |
295 |
0.996 |
214 |
1775 |
|
|
26 |
A" |
202 |
173 |
0.858 |
214 |
1776 |
|
|
27 |
A" |
127 |
122 |
0.963 |
214 |
1777 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3079 |
3005 |
0.976 |
215 |
1778 |
|
|
2 |
A' |
3054 |
2955 |
0.967 |
215 |
1779 |
|
|
3 |
A' |
3020 |
2927 |
0.969 |
215 |
1780 |
|
|
4 |
A' |
2973 |
2878 |
0.968 |
215 |
1781 |
|
|
5 |
A' |
1431 |
1472 |
1.028 |
215 |
1782 |
|
|
6 |
A' |
1414 |
1454 |
1.028 |
215 |
1783 |
|
|
7 |
A' |
1345 |
1390 |
1.034 |
215 |
1784 |
|
|
8 |
A' |
1217 |
1270 |
1.044 |
215 |
1785 |
|
|
9 |
A' |
1133 |
1163 |
1.026 |
215 |
1786 |
|
|
10 |
A' |
1025 |
1065 |
1.039 |
215 |
1787 |
|
|
11 |
A' |
877 |
888 |
1.013 |
215 |
1788 |
|
|
12 |
A' |
596 |
633 |
1.062 |
215 |
1789 |
|
|
13 |
A' |
410 |
418 |
1.018 |
215 |
1790 |
|
|
14 |
A' |
329 |
336 |
1.021 |
215 |
1791 |
|
|
15 |
A' |
258 |
253 |
0.981 |
215 |
1792 |
|
|
16 |
A" |
3076 |
2997 |
0.974 |
215 |
1793 |
|
|
17 |
A" |
3048 |
2985 |
0.979 |
215 |
1794 |
|
|
18 |
A" |
2968 |
2947 |
0.993 |
215 |
1795 |
|
|
19 |
A" |
1408 |
1472 |
1.046 |
215 |
1796 |
|
|
20 |
A" |
1400 |
1454 |
1.038 |
215 |
1797 |
|
|
21 |
A" |
1335 |
1377 |
1.032 |
215 |
1798 |
|
|
22 |
A" |
1293 |
1334 |
1.032 |
215 |
1799 |
|
|
23 |
A" |
1123 |
1123 |
1.000 |
215 |
1800 |
|
|
24 |
A" |
910 |
972 |
1.068 |
215 |
1801 |
|
|
25 |
A" |
897 |
936 |
1.043 |
215 |
1802 |
|
|
26 |
A" |
313 |
317 |
1.011 |
215 |
1803 |
|
|
27 |
A" |
228 |
276 |
1.213 |
215 |
1804 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3106 |
3022 |
0.973 |
216 |
1805 |
|
|
2 |
A |
3085 |
3004 |
0.974 |
216 |
1806 |
|
|
3 |
A |
3067 |
2991 |
0.975 |
216 |
1807 |
|
|
4 |
A |
3040 |
2970 |
0.977 |
216 |
1808 |
|
|
5 |
A |
3027 |
2949 |
0.974 |
216 |
1809 |
|
|
6 |
A |
2983 |
2908 |
0.975 |
216 |
1810 |
|
|
7 |
A |
1422 |
1462 |
1.028 |
216 |
1811 |
|
|
8 |
A |
1412 |
1459 |
1.033 |
216 |
1812 |
|
|
9 |
A |
1400 |
1446 |
1.033 |
216 |
1813 |
|
|
10 |
A |
1341 |
1391 |
1.037 |
216 |
1814 |
|
|
11 |
A |
1310 |
1347 |
1.029 |
216 |
1815 |
|
|
12 |
A |
1232 |
1286 |
1.044 |
216 |
1816 |
|
|
13 |
A |
1197 |
1238 |
1.034 |
216 |
1817 |
|
|
14 |
A |
1149 |
1181 |
1.028 |
216 |
1818 |
|
|
15 |
A |
1120 |
1120 |
1.000 |
216 |
1819 |
|
|
16 |
A |
1035 |
1076 |
1.040 |
216 |
1820 |
|
|
17 |
A |
982 |
1023 |
1.041 |
216 |
1821 |
|
|
18 |
A |
885 |
890 |
1.005 |
216 |
1822 |
|
|
19 |
A |
843 |
850 |
1.008 |
216 |
1823 |
|
|
20 |
A |
712 |
750 |
1.053 |
216 |
1824 |
|
|
21 |
A |
645 |
685 |
1.061 |
216 |
1825 |
|
|
22 |
A |
400 |
417 |
1.044 |
216 |
1826 |
|
|
23 |
A |
340 |
358 |
1.054 |
216 |
1827 |
|
|
24 |
A |
272 |
285 |
1.047 |
216 |
1828 |
|
|
25 |
A |
239 |
250 |
1.046 |
216 |
1829 |
|
|
26 |
A |
198 |
203 |
1.024 |
216 |
1830 |
|
|
27 |
A |
106 |
108 |
1.016 |
216 |
1831 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3072 |
2989 |
0.973 |
217 |
1832 |
|
|
2 |
A1 |
3063 |
2941 |
0.960 |
217 |
1833 |
|
|
3 |
A1 |
2953 |
2911 |
0.986 |
217 |
1834 |
|
|
4 |
A1 |
1670 |
1661 |
0.995 |
217 |
1835 |
|
|
5 |
A1 |
1428 |
1470 |
1.029 |
217 |
1836 |
|
|
6 |
A1 |
1376 |
1416 |
1.029 |
217 |
1837 |
|
|
7 |
A1 |
1337 |
1366 |
1.022 |
217 |
1838 |
|
|
8 |
A1 |
1036 |
1064 |
1.027 |
217 |
1839 |
|
|
9 |
A1 |
812 |
801 |
0.987 |
217 |
1840 |
|
|
10 |
A1 |
373 |
383 |
1.027 |
217 |
1841 |
|
|
11 |
A2 |
3006 |
2970 |
0.988 |
217 |
1842 |
|
|
12 |
A2 |
1391 |
1459 |
1.049 |
217 |
1843 |
|
|
13 |
A2 |
965 |
1076 |
1.115 |
217 |
1844 |
|
|
14 |
A2 |
669 |
|
|
217 |
1845 |
|
|
15 |
A2 |
166 |
193 |
1.165 |
217 |
1846 |
|
|
16 |
B1 |
3007 |
2945 |
0.979 |
217 |
1847 |
|
|
17 |
B1 |
1412 |
1444 |
1.023 |
217 |
1848 |
|
|
18 |
B1 |
1043 |
1079 |
1.034 |
217 |
1849 |
|
|
19 |
B1 |
876 |
890 |
1.015 |
217 |
1850 |
|
|
20 |
B1 |
429 |
429 |
0.999 |
217 |
1851 |
|
|
21 |
B1 |
211 |
196 |
0.927 |
217 |
1852 |
|
|
22 |
B2 |
3163 |
3086 |
0.976 |
217 |
1853 |
|
|
23 |
B2 |
3062 |
2980 |
0.973 |
217 |
1854 |
|
|
24 |
B2 |
2948 |
2893 |
0.981 |
217 |
1855 |
|
|
25 |
B2 |
1405 |
1458 |
1.038 |
217 |
1856 |
|
|
26 |
B2 |
1341 |
1381 |
1.030 |
217 |
1857 |
|
|
27 |
B2 |
1256 |
1282 |
1.021 |
217 |
1858 |
|
|
28 |
B2 |
954 |
1043 |
1.094 |
217 |
1859 |
|
|
29 |
B2 |
922 |
974 |
1.057 |
217 |
1860 |
|
|
30 |
B2 |
427 |
430 |
1.007 |
217 |
1861 |
C6H6 |
Benzene |
1 |
A1g |
3135 |
3062 |
0.977 |
218 |
1862 |
|
|
2 |
A1g |
995 |
992 |
0.997 |
218 |
1863 |
|
|
3 |
A2g |
1304 |
1326 |
1.017 |
218 |
1864 |
|
|
4 |
A2u |
655 |
673 |
1.028 |
218 |
1865 |
|
|
5 |
B1u |
3102 |
3068 |
0.989 |
218 |
1866 |
|
|
6 |
B1u |
968 |
1010 |
1.043 |
218 |
1867 |
|
|
7 |
B2g |
969 |
995 |
1.027 |
218 |
1868 |
|
|
8 |
B2g |
703 |
703 |
1.000 |
218 |
1869 |
|
|
9 |
B2u |
1361 |
1310 |
0.963 |
218 |
1870 |
|
|
10 |
B2u |
1130 |
1150 |
1.018 |
218 |
1871 |
|
|
11 |
E1g |
825 |
849 |
1.029 |
218 |
1872 |
|
|
12 |
E1u |
3125 |
3063 |
0.980 |
218 |
1873 |
|
|
13 |
E1u |
1447 |
1486 |
1.027 |
218 |
1874 |
|
|
14 |
E1u |
1031 |
1038 |
1.006 |
218 |
1875 |
|
|
15 |
E2g |
3110 |
3047 |
0.980 |
218 |
1876 |
|
|
16 |
E2g |
1592 |
1596 |
1.002 |
218 |
1877 |
|
|
17 |
E2g |
1153 |
1178 |
1.021 |
218 |
1878 |
|
|
18 |
E2g |
594 |
606 |
1.020 |
218 |
1879 |
|
|
19 |
E2u |
942 |
975 |
1.035 |
218 |
1880 |
|
|
20 |
E2u |
394 |
410 |
1.040 |
218 |
1881 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3174 |
3088 |
0.973 |
219 |
1882 |
|
|
2 |
A |
3091 |
3017 |
0.976 |
219 |
1883 |
|
|
3 |
A |
3079 |
3011 |
0.978 |
219 |
1884 |
|
|
4 |
A |
3075 |
2990 |
0.972 |
219 |
1885 |
|
|
5 |
A |
3058 |
2974 |
0.972 |
219 |
1886 |
|
|
6 |
A |
3030 |
2967 |
0.979 |
219 |
1887 |
|
|
7 |
A |
2975 |
2927 |
0.984 |
219 |
1888 |
|
|
8 |
A |
1654 |
1645 |
0.995 |
219 |
1889 |
|
|
9 |
A |
1415 |
1452 |
1.026 |
219 |
1890 |
|
|
10 |
A |
1410 |
1447 |
1.026 |
219 |
1891 |
|
|
11 |
A |
1394 |
1424 |
1.022 |
219 |
1892 |
|
|
12 |
A |
1334 |
1375 |
1.031 |
219 |
1893 |
|
|
13 |
A |
1278 |
1297 |
1.015 |
219 |
1894 |
|
|
14 |
A |
1258 |
1283 |
1.020 |
219 |
1895 |
|
|
15 |
A |
1190 |
1233 |
1.036 |
219 |
1896 |
|
|
16 |
A |
1153 |
1174 |
1.018 |
219 |
1897 |
|
|
17 |
A |
1076 |
1090 |
1.013 |
219 |
1898 |
|
|
18 |
A |
993 |
1025 |
1.032 |
219 |
1899 |
|
|
19 |
A |
974 |
988 |
1.015 |
219 |
1900 |
|
|
20 |
A |
939 |
966 |
1.029 |
219 |
1901 |
|
|
21 |
A |
920 |
931 |
1.012 |
219 |
1902 |
|
|
22 |
A |
848 |
864 |
1.019 |
219 |
1903 |
|
|
23 |
A |
690 |
708 |
1.027 |
219 |
1904 |
|
|
24 |
A |
603 |
625 |
1.036 |
219 |
1905 |
|
|
25 |
A |
444 |
456 |
1.027 |
219 |
1906 |
|
|
26 |
A |
309 |
319 |
1.033 |
219 |
1907 |
|
|
27 |
A |
294 |
305 |
1.036 |
219 |
1908 |
|
|
28 |
A |
270 |
283 |
1.048 |
219 |
1909 |
|
|
29 |
A |
238 |
245 |
1.031 |
219 |
1910 |
|
|
30 |
A |
101 |
92 |
0.913 |
219 |
1911 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3178 |
3095 |
0.974 |
220 |
1912 |
|
|
2 |
A' |
3171 |
3095 |
0.976 |
220 |
1913 |
|
|
3 |
A' |
3087 |
3000 |
0.972 |
220 |
1914 |
|
|
4 |
A' |
3078 |
3000 |
0.975 |
220 |
1915 |
|
|
5 |
A' |
3075 |
3000 |
0.976 |
220 |
1916 |
|
|
6 |
A' |
3068 |
2984 |
0.973 |
220 |
1917 |
|
|
7 |
A' |
2963 |
2904 |
0.980 |
220 |
1918 |
|
|
8 |
A' |
1644 |
1638 |
0.996 |
220 |
1919 |
|
|
9 |
A' |
1607 |
1607 |
1.000 |
220 |
1920 |
|
|
10 |
A' |
1431 |
1464 |
1.023 |
220 |
1921 |
|
|
11 |
A' |
1393 |
1420 |
1.020 |
220 |
1922 |
|
|
12 |
A' |
1375 |
1389 |
1.010 |
220 |
1923 |
|
|
13 |
A' |
1341 |
1363 |
1.016 |
220 |
1924 |
|
|
14 |
A' |
1291 |
1313 |
1.017 |
220 |
1925 |
|
|
15 |
A' |
1270 |
1303 |
1.026 |
220 |
1926 |
|
|
16 |
A' |
1044 |
1072 |
1.027 |
220 |
1927 |
|
|
17 |
A' |
967 |
1012 |
1.047 |
220 |
1928 |
|
|
18 |
A' |
935 |
953 |
1.019 |
220 |
1929 |
|
|
19 |
A' |
787 |
770 |
0.979 |
220 |
1930 |
|
|
20 |
A' |
519 |
530 |
1.021 |
220 |
1931 |
|
|
21 |
A' |
416 |
396 |
0.953 |
220 |
1932 |
|
|
22 |
A' |
271 |
196 |
0.723 |
220 |
1933 |
|
|
23 |
A" |
3025 |
2949 |
0.975 |
220 |
1934 |
|
|
24 |
A" |
1406 |
1451 |
1.032 |
220 |
1935 |
|
|
25 |
A" |
1015 |
1034 |
1.018 |
220 |
1936 |
|
|
26 |
A" |
986 |
991 |
1.005 |
220 |
1937 |
|
|
27 |
A" |
900 |
907 |
1.008 |
220 |
1938 |
|
|
28 |
A" |
887 |
907 |
1.022 |
220 |
1939 |
|
|
29 |
A" |
759 |
757 |
0.998 |
220 |
1940 |
|
|
30 |
A" |
618 |
615 |
0.995 |
220 |
1941 |
|
|
31 |
A" |
402 |
290 |
0.721 |
220 |
1942 |
|
|
32 |
A" |
202 |
153 |
0.758 |
220 |
1943 |
C5H8 |
Cyclopentene |
1 |
A' |
3139 |
3066 |
0.977 |
221 |
1944 |
|
|
2 |
A' |
3046 |
2958 |
0.971 |
221 |
1945 |
|
|
3 |
A' |
3004 |
2916 |
0.971 |
221 |
1946 |
|
|
4 |
A' |
2985 |
2902 |
0.972 |
221 |
1947 |
|
|
5 |
A' |
2939 |
2852 |
0.970 |
221 |
1948 |
|
|
6 |
A' |
1630 |
1616 |
0.992 |
221 |
1949 |
|
|
7 |
A' |
1438 |
1467 |
1.020 |
221 |
1950 |
|
|
8 |
A' |
1412 |
1449 |
1.026 |
221 |
1951 |
|
|
9 |
A' |
1267 |
1302 |
1.028 |
221 |
1952 |
|
|
10 |
A' |
1174 |
1284 |
1.094 |
221 |
1953 |
|
|
11 |
A' |
1079 |
1213 |
1.124 |
221 |
1954 |
|
|
12 |
A' |
1018 |
1048 |
1.030 |
221 |
1955 |
|
|
13 |
A' |
960 |
964 |
1.004 |
221 |
1956 |
|
|
14 |
A' |
895 |
962 |
1.075 |
221 |
1957 |
|
|
15 |
A' |
792 |
904 |
1.142 |
221 |
1958 |
|
|
16 |
A' |
678 |
692 |
1.020 |
221 |
1959 |
|
|
17 |
A' |
592 |
603 |
1.019 |
221 |
1960 |
|
|
18 |
A' |
133 |
254 |
1.912 |
221 |
1961 |
|
|
19 |
A" |
3113 |
3039 |
0.976 |
221 |
1962 |
|
|
20 |
A" |
2996 |
2967 |
0.990 |
221 |
1963 |
|
|
21 |
A" |
2940 |
2927 |
0.995 |
221 |
1964 |
|
|
22 |
A" |
1417 |
1467 |
1.036 |
221 |
1965 |
|
|
23 |
A" |
1324 |
1432 |
1.081 |
221 |
1966 |
|
|
24 |
A" |
1263 |
1356 |
1.073 |
221 |
1967 |
|
|
25 |
A" |
1236 |
1302 |
1.053 |
221 |
1968 |
|
|
26 |
A" |
1172 |
1297 |
1.107 |
221 |
1969 |
|
|
27 |
A" |
1097 |
1207 |
1.101 |
221 |
1970 |
|
|
28 |
A" |
1016 |
1113 |
1.095 |
221 |
1971 |
|
|
29 |
A" |
908 |
1082 |
1.192 |
221 |
1972 |
|
|
30 |
A" |
898 |
937 |
1.044 |
221 |
1973 |
|
|
31 |
A" |
863 |
800 |
0.927 |
221 |
1974 |
|
|
32 |
A" |
756 |
702 |
0.929 |
221 |
1975 |
|
|
33 |
A" |
378 |
387 |
1.023 |
221 |
1976 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3166 |
3080 |
0.973 |
222 |
1977 |
|
|
2 |
A |
3078 |
3012 |
0.978 |
222 |
1978 |
|
|
3 |
A |
3067 |
3012 |
0.982 |
222 |
1979 |
|
|
4 |
A |
2947 |
2900 |
0.984 |
222 |
1980 |
|
|
5 |
A |
1662 |
1644 |
0.989 |
222 |
1981 |
|
|
6 |
A |
1399 |
1433 |
1.024 |
222 |
1982 |
|
|
7 |
A |
1379 |
1413 |
1.024 |
222 |
1983 |
|
|
8 |
A |
1269 |
1295 |
1.020 |
222 |
1984 |
|
|
9 |
A |
1208 |
1263 |
1.045 |
222 |
1985 |
|
|
10 |
A |
1044 |
1120 |
1.073 |
222 |
1986 |
|
|
11 |
A |
980 |
995 |
1.015 |
222 |
1987 |
|
|
12 |
A |
911 |
918 |
1.008 |
222 |
1988 |
|
|
13 |
A |
885 |
876 |
0.990 |
222 |
1989 |
|
|
14 |
A |
661 |
562 |
0.850 |
222 |
1990 |
|
|
15 |
A |
362 |
421 |
1.162 |
222 |
1991 |
|
|
16 |
A |
289 |
137 |
0.473 |
222 |
1992 |
|
|
17 |
A |
85 |
102 |
1.194 |
222 |
1993 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3076 |
2987 |
0.971 |
223 |
1994 |
|
|
2 |
A1 |
3047 |
2941 |
0.965 |
223 |
1995 |
|
|
3 |
A1 |
2954 |
2916 |
0.987 |
223 |
1996 |
|
|
4 |
A1 |
2009 |
1996 |
0.994 |
223 |
1997 |
|
|
5 |
A1 |
1449 |
1470 |
1.015 |
223 |
1998 |
|
|
6 |
A1 |
1401 |
1438 |
1.026 |
223 |
1999 |
|
|
7 |
A1 |
1340 |
1369 |
1.022 |
223 |
2000 |
|
|
8 |
A1 |
1271 |
1286 |
1.012 |
223 |
2001 |
|
|
9 |
A1 |
990 |
973 |
0.982 |
223 |
2002 |
|
|
10 |
A1 |
729 |
726 |
0.996 |
223 |
2003 |
|
|
11 |
A1 |
335 |
349 |
1.042 |
223 |
2004 |
|
|
12 |
A2 |
3012 |
2941 |
0.976 |
223 |
2005 |
|
|
13 |
A2 |
1398 |
1470 |
1.052 |
223 |
2006 |
|
|
14 |
A2 |
952 |
985 |
1.035 |
223 |
2007 |
|
|
15 |
A2 |
588 |
617 |
1.049 |
223 |
2008 |
|
|
17 |
B1 |
3124 |
3051 |
0.977 |
223 |
2009 |
|
|
18 |
B1 |
3012 |
2941 |
0.976 |
223 |
2010 |
|
|
19 |
B1 |
1416 |
1470 |
1.038 |
223 |
2011 |
|
|
20 |
B1 |
1038 |
1068 |
1.029 |
223 |
2012 |
|
|
21 |
B1 |
968 |
1004 |
1.037 |
223 |
2013 |
|
|
22 |
B1 |
436 |
443 |
1.017 |
223 |
2014 |
|
|
23 |
B1 |
237 |
187 |
0.789 |
223 |
2015 |
|
|
25 |
B2 |
3076 |
2941 |
0.956 |
223 |
2016 |
|
|
26 |
B2 |
2951 |
2916 |
0.988 |
223 |
2017 |
|
|
27 |
B2 |
1405 |
1470 |
1.046 |
223 |
2018 |
|
|
28 |
B2 |
1324 |
1369 |
1.034 |
223 |
2019 |
|
|
29 |
B2 |
1186 |
1191 |
1.004 |
223 |
2020 |
|
|
30 |
B2 |
932 |
968 |
1.039 |
223 |
2021 |
|
|
31 |
B2 |
832 |
848 |
1.019 |
223 |
2022 |
|
|
32 |
B2 |
577 |
554 |
0.959 |
223 |
2023 |
|
|
33 |
B2 |
175 |
187 |
1.069 |
223 |
2024 |
C5H8 |
Spiropentane |
1 |
A1 |
3054 |
3000 |
0.982 |
224 |
2025 |
|
|
2 |
A1 |
1431 |
1423 |
0.994 |
224 |
2026 |
|
|
3 |
A1 |
1057 |
1160 |
1.097 |
224 |
2027 |
|
|
4 |
A1 |
1005 |
1037 |
1.032 |
224 |
2028 |
|
|
5 |
A1 |
597 |
588 |
0.985 |
224 |
2029 |
|
|
6 |
A2 |
3135 |
3070 |
0.979 |
224 |
2030 |
|
|
7 |
A2 |
1119 |
1174 |
1.049 |
224 |
2031 |
|
|
8 |
A2 |
799 |
919 |
1.150 |
224 |
2032 |
|
|
9 |
B1 |
3133 |
3066 |
0.979 |
224 |
2033 |
|
|
10 |
B1 |
1128 |
1166 |
1.034 |
224 |
2034 |
|
|
11 |
B1 |
980 |
888 |
0.906 |
224 |
2035 |
|
|
12 |
B1 |
282 |
300 |
1.062 |
224 |
2036 |
|
|
13 |
B2 |
3054 |
3000 |
0.982 |
224 |
2037 |
|
|
14 |
B2 |
1548 |
1521 |
0.983 |
224 |
2038 |
|
|
15 |
B2 |
1380 |
1415 |
1.026 |
224 |
2039 |
|
|
16 |
B2 |
956 |
990 |
1.036 |
224 |
2040 |
|
|
17 |
B2 |
891 |
872 |
0.979 |
224 |
2041 |
|
|
18 |
E |
3147 |
3067 |
0.975 |
224 |
2042 |
|
|
19 |
E |
3051 |
2985 |
0.978 |
224 |
2043 |
|
|
20 |
E |
1400 |
1431 |
1.022 |
224 |
2044 |
|
|
21 |
E |
1135 |
1150 |
1.013 |
224 |
2045 |
|
|
22 |
E |
1011 |
1049 |
1.038 |
224 |
2046 |
|
|
23 |
E |
868 |
870 |
1.002 |
224 |
2047 |
|
|
24 |
E |
759 |
780 |
1.028 |
224 |
2048 |
|
|
25 |
E |
301 |
308 |
1.025 |
224 |
2049 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
2999 |
2953 |
0.985 |
225 |
2050 |
|
|
2 |
A1 |
2841 |
2775 |
0.977 |
225 |
2051 |
|
|
3 |
A1 |
1425 |
1459 |
1.024 |
225 |
2052 |
|
|
4 |
A1 |
1406 |
1444 |
1.027 |
225 |
2053 |
|
|
5 |
A1 |
1146 |
1186 |
1.034 |
225 |
2054 |
|
|
6 |
A1 |
826 |
828 |
1.003 |
225 |
2055 |
|
|
7 |
A1 |
351 |
367 |
1.045 |
225 |
2056 |
|
|
8 |
A2 |
3048 |
2977 |
0.977 |
225 |
2057 |
|
|
9 |
A2 |
1407 |
1453 |
1.032 |
225 |
2058 |
|
|
10 |
A2 |
1019 |
1046 |
1.027 |
225 |
2059 |
|
|
11 |
A2 |
234 |
255 |
1.087 |
225 |
2060 |
|
|
12 |
E |
3051 |
2981 |
0.977 |
225 |
2061 |
|
|
13 |
E |
2998 |
2953 |
0.985 |
225 |
2062 |
|
|
14 |
E |
2824 |
2776 |
0.983 |
225 |
2063 |
|
|
15 |
E |
1434 |
1471 |
1.026 |
225 |
2064 |
|
|
16 |
E |
1403 |
1444 |
1.029 |
225 |
2065 |
|
|
17 |
E |
1362 |
1409 |
1.034 |
225 |
2066 |
|
|
18 |
E |
1259 |
1275 |
1.013 |
225 |
2067 |
|
|
19 |
E |
1068 |
1103 |
1.033 |
225 |
2068 |
|
|
20 |
E |
1031 |
1043 |
1.012 |
225 |
2069 |
|
|
21 |
E |
410 |
424 |
1.032 |
225 |
2070 |
|
|
22 |
E |
262 |
281 |
1.071 |
225 |
2071 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3059 |
2974 |
0.972 |
226 |
2072 |
|
|
2 |
A' |
3047 |
2953 |
0.969 |
226 |
2073 |
|
|
3 |
A' |
3007 |
2940 |
0.978 |
226 |
2074 |
|
|
4 |
A' |
2967 |
2876 |
0.969 |
226 |
2075 |
|
|
5 |
A' |
2746 |
2757 |
1.004 |
226 |
2076 |
|
|
6 |
A' |
1739 |
1752 |
1.007 |
226 |
2077 |
|
|
7 |
A' |
1437 |
1474 |
1.025 |
226 |
2078 |
|
|
8 |
A' |
1427 |
1449 |
1.015 |
226 |
2079 |
|
|
9 |
A' |
1356 |
1399 |
1.031 |
226 |
2080 |
|
|
10 |
A' |
1339 |
1381 |
1.032 |
226 |
2081 |
|
|
11 |
A' |
1249 |
1329 |
1.064 |
226 |
2082 |
|
|
12 |
A' |
1133 |
1182 |
1.043 |
226 |
2083 |
|
|
13 |
A' |
1131 |
1138 |
1.006 |
226 |
2084 |
|
|
14 |
A' |
897 |
922 |
1.028 |
226 |
2085 |
|
|
15 |
A' |
821 |
800 |
0.975 |
226 |
2086 |
|
|
16 |
A' |
529 |
632 |
1.194 |
226 |
2087 |
|
|
17 |
A' |
341 |
395 |
1.157 |
226 |
2088 |
|
|
18 |
A' |
324 |
272 |
0.840 |
226 |
2089 |
|
|
19 |
A' |
222 |
212 |
0.953 |
226 |
2090 |
|
|
20 |
A" |
3059 |
2990 |
0.978 |
226 |
2091 |
|
|
21 |
A" |
3042 |
2982 |
0.980 |
226 |
2092 |
|
|
22 |
A" |
2965 |
2885 |
0.973 |
226 |
2093 |
|
|
23 |
A" |
1414 |
1467 |
1.038 |
226 |
2094 |
|
|
24 |
A" |
1409 |
1452 |
1.030 |
226 |
2095 |
|
|
25 |
A" |
1325 |
1437 |
1.085 |
226 |
2096 |
|
|
26 |
A" |
1279 |
1290 |
1.008 |
226 |
2097 |
|
|
27 |
A" |
1096 |
1109 |
1.012 |
226 |
2098 |
|
|
28 |
A" |
960 |
965 |
1.005 |
226 |
2099 |
|
|
29 |
A" |
911 |
942 |
1.034 |
226 |
2100 |
|
|
30 |
A" |
889 |
933 |
1.049 |
226 |
2101 |
|
|
31 |
A" |
321 |
351 |
1.094 |
226 |
2102 |
|
|
32 |
A" |
196 |
227 |
1.157 |
226 |
2103 |
|
|
33 |
A" |
64 |
75 |
1.173 |
226 |
2104 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
415 |
1442 |
3.476 |
227 |
2105 |
|
|
|
Ag |
823 |
1151 |
1.398 |
227 |
2106 |
|
|
|
Au |
1233 |
1257 |
1.020 |
227 |
2107 |
|
|
|
Bg |
1421 |
1300 |
0.915 |
227 |
2108 |
|
|
|
Bu |
2957 |
2870 |
0.970 |
227 |
2109 |
|
|
|
Bu |
2964 |
2853 |
0.963 |
227 |
2110 |
|
|
|
Bu |
3048 |
271 |
0.089 |
227 |
2111 |
C4H9N |
Pyrrolidine |
1 |
A' |
3438 |
3356 |
0.976 |
228 |
2112 |
|
|
2 |
A' |
3062 |
2975 |
0.972 |
228 |
2113 |
|
|
3 |
A' |
3020 |
2927 |
0.969 |
228 |
2114 |
|
|
4 |
A' |
3007 |
2889 |
0.961 |
228 |
2115 |
|
|
5 |
A' |
2855 |
2824 |
0.989 |
228 |
2116 |
|
|
6 |
A' |
1464 |
1484 |
1.013 |
228 |
2117 |
|
|
7 |
A' |
1440 |
1447 |
1.005 |
228 |
2118 |
|
|
8 |
A' |
1328 |
1292 |
0.973 |
228 |
2119 |
|
|
9 |
A' |
1263 |
1273 |
1.008 |
228 |
2120 |
|
|
10 |
A' |
1194 |
1228 |
1.028 |
228 |
2121 |
|
|
11 |
A' |
1175 |
1181 |
1.005 |
228 |
2122 |
|
|
12 |
A' |
1045 |
974 |
0.932 |
228 |
2123 |
|
|
13 |
A' |
977 |
920 |
0.942 |
228 |
2124 |
|
|
14 |
A' |
924 |
901 |
0.975 |
228 |
2125 |
|
|
15 |
A' |
892 |
871 |
0.976 |
228 |
2126 |
|
|
16 |
A' |
849 |
832 |
0.980 |
228 |
2127 |
|
|
17 |
A' |
743 |
789 |
1.062 |
228 |
2128 |
|
|
18 |
A' |
562 |
579 |
1.031 |
228 |
2129 |
|
|
19 |
A' |
295 |
299 |
1.012 |
228 |
2130 |
|
|
20 |
A" |
3041 |
2967 |
0.976 |
228 |
2131 |
|
|
21 |
A" |
3015 |
2916 |
0.967 |
228 |
2132 |
|
|
22 |
A" |
2998 |
2879 |
0.960 |
228 |
2133 |
|
|
23 |
A" |
2852 |
2818 |
0.988 |
228 |
2134 |
|
|
24 |
A" |
1445 |
1459 |
1.010 |
228 |
2135 |
|
|
25 |
A" |
1423 |
1412 |
0.992 |
228 |
2136 |
|
|
26 |
A" |
1376 |
1341 |
0.974 |
228 |
2137 |
|
|
27 |
A" |
1268 |
1268 |
1.000 |
228 |
2138 |
|
|
28 |
A" |
1243 |
1211 |
0.974 |
228 |
2139 |
|
|
29 |
A" |
1196 |
1203 |
1.006 |
228 |
2140 |
|
|
30 |
A" |
1151 |
1171 |
1.017 |
228 |
2141 |
|
|
31 |
A" |
1100 |
1099 |
0.999 |
228 |
2142 |
|
|
32 |
A" |
1068 |
1023 |
0.958 |
228 |
2143 |
|
|
33 |
A" |
918 |
883 |
0.962 |
228 |
2144 |
|
|
34 |
A" |
846 |
848 |
1.002 |
228 |
2145 |
|
|
35 |
A" |
620 |
600 |
0.968 |
228 |
2146 |
|
|
36 |
A" |
96 |
65 |
0.678 |
228 |
2147 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3382 |
3345 |
0.989 |
229 |
2148 |
|
|
2 |
A' |
3073 |
2975 |
0.968 |
229 |
2149 |
|
|
3 |
A' |
3044 |
2950 |
0.969 |
229 |
2150 |
|
|
4 |
A' |
3009 |
2918 |
0.970 |
229 |
2151 |
|
|
5 |
A' |
2992 |
2905 |
0.971 |
229 |
2152 |
|
|
6 |
A' |
2898 |
2887 |
0.996 |
229 |
2153 |
|
|
7 |
A' |
1582 |
1614 |
1.020 |
229 |
2154 |
|
|
8 |
A' |
1437 |
1467 |
1.021 |
229 |
2155 |
|
|
9 |
A' |
1410 |
1443 |
1.023 |
229 |
2156 |
|
|
10 |
A' |
1321 |
1390 |
1.052 |
229 |
2157 |
|
|
11 |
A' |
1228 |
1291 |
1.051 |
229 |
2158 |
|
|
12 |
A' |
1193 |
1237 |
1.037 |
229 |
2159 |
|
|
13 |
A' |
1118 |
1137 |
1.017 |
229 |
2160 |
|
|
14 |
A' |
1057 |
1120 |
1.059 |
229 |
2161 |
|
|
15 |
A' |
945 |
1050 |
1.111 |
229 |
2162 |
|
|
16 |
A' |
863 |
965 |
1.119 |
229 |
2163 |
|
|
17 |
A' |
825 |
788 |
0.955 |
229 |
2164 |
|
|
18 |
A' |
786 |
752 |
0.957 |
229 |
2165 |
|
|
19 |
A' |
649 |
606 |
0.934 |
229 |
2166 |
|
|
20 |
A' |
392 |
448 |
1.144 |
229 |
2167 |
|
|
21 |
A' |
147 |
174 |
1.187 |
229 |
2168 |
|
|
22 |
A" |
3467 |
3411 |
0.984 |
229 |
2169 |
|
|
23 |
A" |
3050 |
2970 |
0.974 |
229 |
2170 |
|
|
24 |
A" |
2989 |
2957 |
0.989 |
229 |
2171 |
|
|
25 |
A" |
1401 |
1452 |
1.036 |
229 |
2172 |
|
|
26 |
A" |
1287 |
1213 |
0.942 |
229 |
2173 |
|
|
27 |
A" |
1213 |
1185 |
0.977 |
229 |
2174 |
|
|
28 |
A" |
1198 |
1168 |
0.975 |
229 |
2175 |
|
|
29 |
A" |
1175 |
1036 |
0.882 |
229 |
2176 |
|
|
30 |
A" |
1123 |
|
|
229 |
2177 |
|
|
31 |
A" |
990 |
925 |
0.935 |
229 |
2178 |
|
|
32 |
A" |
932 |
912 |
0.979 |
229 |
2179 |
|
|
33 |
A" |
898 |
883 |
0.983 |
229 |
2180 |
|
|
34 |
A" |
741 |
788 |
1.064 |
229 |
2181 |
|
|
35 |
A" |
380 |
354 |
0.930 |
229 |
2182 |
|
|
36 |
A" |
255 |
240 |
0.940 |
229 |
2183 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3028 |
2968 |
0.980 |
230 |
2184 |
|
|
2 |
Ag |
2904 |
2856 |
0.984 |
230 |
2185 |
|
|
3 |
Ag |
1415 |
1444 |
1.020 |
230 |
2186 |
|
|
4 |
Ag |
1350 |
1397 |
1.035 |
230 |
2187 |
|
|
5 |
Ag |
1271 |
1305 |
1.027 |
230 |
2188 |
|
|
6 |
Ag |
1094 |
1128 |
1.032 |
230 |
2189 |
|
|
7 |
Ag |
997 |
1015 |
1.018 |
230 |
2190 |
|
|
8 |
Ag |
822 |
837 |
1.018 |
230 |
2191 |
|
|
9 |
Ag |
423 |
435 |
1.027 |
230 |
2192 |
|
|
10 |
Ag |
403 |
424 |
1.053 |
230 |
2193 |
|
|
11 |
Au |
3028 |
2970 |
0.981 |
230 |
2194 |
|
|
12 |
Au |
2896 |
2863 |
0.988 |
230 |
2195 |
|
|
13 |
Au |
1404 |
1449 |
1.032 |
230 |
2196 |
|
|
14 |
Au |
1320 |
1369 |
1.037 |
230 |
2197 |
|
|
15 |
Au |
1224 |
1256 |
1.027 |
230 |
2198 |
|
|
16 |
Au |
1103 |
1136 |
1.030 |
230 |
2199 |
|
|
17 |
Au |
1056 |
1086 |
1.028 |
230 |
2200 |
|
|
18 |
Au |
870 |
881 |
1.013 |
230 |
2201 |
|
|
19 |
Au |
248 |
288 |
1.164 |
230 |
2202 |
|
|
20 |
Bg |
3028 |
2968 |
0.980 |
230 |
2203 |
|
|
21 |
Bg |
2908 |
2856 |
0.982 |
230 |
2204 |
|
|
22 |
Bg |
1402 |
1459 |
1.041 |
230 |
2205 |
|
|
23 |
Bg |
1284 |
1335 |
1.040 |
230 |
2206 |
|
|
24 |
Bg |
1181 |
1217 |
1.031 |
230 |
2207 |
|
|
25 |
Bg |
1088 |
1110 |
1.020 |
230 |
2208 |
|
|
26 |
Bg |
827 |
853 |
1.031 |
230 |
2209 |
|
|
27 |
Bg |
472 |
490 |
1.037 |
230 |
2210 |
|
|
28 |
Bu |
3028 |
2970 |
0.981 |
230 |
2211 |
|
|
29 |
Bu |
2912 |
2863 |
0.983 |
230 |
2212 |
|
|
30 |
Bu |
1407 |
1457 |
1.035 |
230 |
2213 |
|
|
31 |
Bu |
1330 |
1378 |
1.036 |
230 |
2214 |
|
|
32 |
Bu |
1258 |
1291 |
1.027 |
230 |
2215 |
|
|
33 |
Bu |
1023 |
1052 |
1.028 |
230 |
2216 |
|
|
34 |
Bu |
860 |
889 |
1.034 |
230 |
2217 |
|
|
35 |
Bu |
587 |
610 |
1.038 |
230 |
2218 |
|
|
36 |
Bu |
260 |
274 |
1.055 |
230 |
2219 |
C8H8 |
cubane |
1 |
A1g |
3062 |
2995 |
0.978 |
231 |
2220 |
|
|
2 |
A1g |
1007 |
1002 |
0.995 |
231 |
2221 |
|
|
3 |
A2u |
3025 |
2978 |
0.985 |
231 |
2222 |
|
|
4 |
A2u |
1005 |
839 |
0.835 |
231 |
2223 |
|
|
5 |
Eg |
1079 |
1083 |
1.003 |
231 |
2224 |
|
|
6 |
Eg |
890 |
912 |
1.024 |
231 |
2225 |
|
|
7 |
Eu |
1124 |
1151 |
1.024 |
231 |
2226 |
|
|
8 |
Eu |
587 |
617 |
1.051 |
231 |
2227 |
|
|
9 |
T1g |
1109 |
1130 |
1.019 |
231 |
2228 |
|
|
10 |
T1u |
3044 |
2978 |
0.978 |
231 |
2229 |
|
|
11 |
T1u |
1220 |
1230 |
1.008 |
231 |
2230 |
|
|
12 |
T1u |
847 |
853 |
1.007 |
231 |
2231 |
|
|
13 |
T2g |
3037 |
2970 |
0.978 |
231 |
2232 |
|
|
14 |
T2g |
1175 |
1182 |
1.006 |
231 |
2233 |
|
|
15 |
T2g |
814 |
821 |
1.008 |
231 |
2234 |
|
|
16 |
T2g |
650 |
665 |
1.024 |
231 |
2235 |
|
|
17 |
T2u |
1031 |
1036 |
1.004 |
231 |
2236 |
|
|
18 |
T2u |
812 |
829 |
1.021 |
231 |
2237 |
C5H12 |
Pentane |
1 |
A1 |
3047 |
2973 |
0.976 |
232 |
2238 |
|
|
2 |
A1 |
2964 |
2892 |
0.976 |
232 |
2239 |
|
|
3 |
A1 |
2960 |
2866 |
0.968 |
232 |
2240 |
|
|
4 |
A1 |
2940 |
2866 |
0.975 |
232 |
2241 |
|
|
5 |
A1 |
1438 |
1480 |
1.029 |
232 |
2242 |
|
|
6 |
A1 |
1420 |
1463 |
1.030 |
232 |
2243 |
|
|
7 |
A1 |
1412 |
1450 |
1.027 |
232 |
2244 |
|
|
8 |
A1 |
1341 |
1379 |
1.028 |
232 |
2245 |
|
|
9 |
A1 |
1301 |
1346 |
1.034 |
232 |
2246 |
|
|
10 |
A1 |
1123 |
1144 |
1.019 |
232 |
2247 |
|
|
11 |
A1 |
1039 |
1036 |
0.997 |
232 |
2248 |
|
|
12 |
A1 |
848 |
867 |
1.022 |
232 |
2249 |
|
|
13 |
A1 |
390 |
401 |
1.028 |
232 |
2250 |
|
|
14 |
A1 |
173 |
179 |
1.036 |
232 |
2251 |
|
|
15 |
A2 |
3039 |
2967 |
0.976 |
232 |
2252 |
|
|
16 |
A2 |
2991 |
2908 |
0.972 |
232 |
2253 |
|
|
17 |
A2 |
1423 |
1462 |
1.027 |
232 |
2254 |
|
|
18 |
A2 |
1274 |
1346 |
1.057 |
232 |
2255 |
|
|
19 |
A2 |
1210 |
1269 |
1.049 |
232 |
2256 |
|
|
20 |
A2 |
951 |
993 |
1.044 |
232 |
2257 |
|
|
21 |
A2 |
735 |
766 |
1.042 |
232 |
2258 |
|
|
22 |
A2 |
236 |
210 |
0.889 |
232 |
2259 |
|
|
23 |
A2 |
108 |
131 |
1.209 |
232 |
2260 |
|
|
24 |
B1 |
3040 |
2965 |
0.975 |
232 |
2261 |
|
|
25 |
B1 |
3005 |
2930 |
0.975 |
232 |
2262 |
|
|
26 |
B1 |
2970 |
2930 |
0.987 |
232 |
2263 |
|
|
27 |
B1 |
1422 |
1469 |
1.033 |
232 |
2264 |
|
|
28 |
B1 |
1270 |
1303 |
1.026 |
232 |
2265 |
|
|
29 |
B1 |
1152 |
1170 |
1.016 |
232 |
2266 |
|
|
30 |
B1 |
832 |
858 |
1.032 |
232 |
2267 |
|
|
31 |
B1 |
703 |
727 |
1.034 |
232 |
2268 |
|
|
32 |
B1 |
230 |
215 |
0.935 |
232 |
2269 |
|
|
33 |
B1 |
111 |
88 |
0.793 |
232 |
2270 |
|
|
34 |
B2 |
3047 |
2965 |
0.973 |
232 |
2271 |
|
|
35 |
B2 |
2963 |
2879 |
0.972 |
232 |
2272 |
|
|
36 |
B2 |
2953 |
2866 |
0.970 |
232 |
2273 |
|
|
37 |
B2 |
1430 |
1476 |
1.032 |
232 |
2274 |
|
|
38 |
B2 |
1413 |
1456 |
1.030 |
232 |
2275 |
|
|
39 |
B2 |
1338 |
1389 |
1.038 |
232 |
2276 |
|
|
40 |
B2 |
1336 |
1379 |
1.032 |
232 |
2277 |
|
|
41 |
B2 |
1224 |
1269 |
1.037 |
232 |
2278 |
|
|
42 |
B2 |
1062 |
1073 |
1.011 |
232 |
2279 |
|
|
43 |
B2 |
1009 |
1024 |
1.015 |
232 |
2280 |
|
|
44 |
B2 |
908 |
910 |
1.002 |
232 |
2281 |
|
|
45 |
B2 |
384 |
406 |
1.056 |
232 |
2282 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
2971 |
2909 |
0.979 |
233 |
2283 |
|
|
2 |
A1 |
1370 |
1381 |
1.008 |
233 |
2284 |
|
|
3 |
A1 |
726 |
733 |
1.010 |
233 |
2285 |
|
|
4 |
A2 |
233 |
198 |
0.852 |
233 |
2286 |
|
|
5 |
E |
3046 |
2955 |
0.970 |
233 |
2287 |
|
|
6 |
E |
1421 |
1451 |
1.021 |
233 |
2288 |
|
|
7 |
E |
1047 |
999 |
0.954 |
233 |
2289 |
|
|
8 |
E |
333 |
335 |
1.005 |
233 |
2290 |
|
|
9 |
T1 |
3044 |
2975 |
0.977 |
233 |
2291 |
|
|
10 |
T1 |
1415 |
1461 |
1.033 |
233 |
2292 |
|
|
11 |
T1 |
923 |
932 |
1.010 |
233 |
2293 |
|
|
12 |
T1 |
308 |
203 |
0.660 |
233 |
2294 |
|
|
13 |
T2 |
3048 |
2959 |
0.971 |
233 |
2295 |
|
|
14 |
T2 |
2963 |
2876 |
0.971 |
233 |
2296 |
|
|
15 |
T2 |
1453 |
1475 |
1.015 |
233 |
2297 |
|
|
16 |
T2 |
1329 |
1372 |
1.032 |
233 |
2298 |
|
|
17 |
T2 |
1232 |
1256 |
1.019 |
233 |
2299 |
|
|
18 |
T2 |
915 |
925 |
1.010 |
233 |
2300 |
|
|
19 |
T2 |
420 |
418 |
0.996 |
233 |
2301 |
C6H14 |
Hexane |
1 |
Ag |
3045 |
2966 |
0.974 |
234 |
2302 |
|
|
2 |
Ag |
2961 |
2877 |
0.972 |
234 |
2303 |
|
|
3 |
Ag |
2954 |
2863 |
0.969 |
234 |
2304 |
|
|
4 |
Ag |
2936 |
2852 |
0.971 |
234 |
2305 |
|
|
5 |
Ag |
1432 |
1460 |
1.020 |
234 |
2306 |
|
|
6 |
Ag |
1416 |
1460 |
1.031 |
234 |
2307 |
|
|
7 |
Ag |
1410 |
1440 |
1.021 |
234 |
2308 |
|
|
8 |
Ag |
1341 |
1397 |
1.042 |
234 |
2309 |
|
|
9 |
Ag |
1335 |
1366 |
1.023 |
234 |
2310 |
|
|
10 |
Ag |
1270 |
1305 |
1.027 |
234 |
2311 |
|
|
11 |
Ag |
1121 |
1140 |
1.017 |
234 |
2312 |
|
|
12 |
Ag |
1061 |
1065 |
1.003 |
234 |
2313 |
|
|
13 |
Ag |
1008 |
1007 |
0.999 |
234 |
2314 |
|
|
14 |
Ag |
876 |
901 |
1.029 |
234 |
2315 |
|
|
15 |
Ag |
359 |
371 |
1.034 |
234 |
2316 |
|
|
16 |
Ag |
287 |
305 |
1.062 |
234 |
2317 |
|
|
17 |
Au |
3037 |
2967 |
0.977 |
234 |
2318 |
|
|
18 |
Au |
3004 |
2936 |
0.977 |
234 |
2319 |
|
|
19 |
Au |
2977 |
2920 |
0.981 |
234 |
2320 |
|
|
20 |
Au |
1423 |
1460 |
1.026 |
234 |
2321 |
|
|
21 |
Au |
1276 |
1303 |
1.022 |
234 |
2322 |
|
|
22 |
Au |
1195 |
1222 |
1.022 |
234 |
2323 |
|
|
23 |
Au |
970 |
1010 |
1.041 |
234 |
2324 |
|
|
24 |
Au |
772 |
824 |
1.067 |
234 |
2325 |
|
|
25 |
Au |
701 |
726 |
1.036 |
234 |
2326 |
|
|
26 |
Au |
241 |
216 |
0.898 |
234 |
2327 |
|
|
27 |
Au |
94 |
94 |
1.001 |
234 |
2328 |
|
|
28 |
Au |
68 |
61 |
0.903 |
234 |
2329 |
|
|
29 |
Bg |
3036 |
2966 |
0.977 |
234 |
2330 |
|
|
30 |
Bg |
2994 |
2908 |
0.971 |
234 |
2331 |
|
|
31 |
Bg |
2964 |
2908 |
0.981 |
234 |
2332 |
|
|
32 |
Bg |
1423 |
1460 |
1.026 |
234 |
2333 |
|
|
33 |
Bg |
1270 |
1305 |
1.027 |
234 |
2334 |
|
|
34 |
Bg |
1249 |
1283 |
1.027 |
234 |
2335 |
|
|
35 |
Bg |
1150 |
1168 |
1.016 |
234 |
2336 |
|
|
36 |
Bg |
868 |
894 |
1.030 |
234 |
2337 |
|
|
37 |
Bg |
714 |
740 |
1.036 |
234 |
2338 |
|
|
38 |
Bg |
231 |
208 |
0.902 |
234 |
2339 |
|
|
39 |
Bg |
137 |
125 |
0.912 |
234 |
2340 |
|
|
40 |
Bu |
3045 |
2967 |
0.975 |
234 |
2341 |
|
|
41 |
Bu |
2961 |
2884 |
0.974 |
234 |
2342 |
|
|
42 |
Bu |
2957 |
2867 |
0.970 |
234 |
2343 |
|
|
43 |
Bu |
2941 |
2851 |
0.970 |
234 |
2344 |
|
|
44 |
Bu |
1438 |
1476 |
1.027 |
234 |
2345 |
|
|
45 |
Bu |
1422 |
1465 |
1.030 |
234 |
2346 |
|
|
46 |
Bu |
1411 |
1452 |
1.029 |
234 |
2347 |
|
|
47 |
Bu |
1338 |
1387 |
1.037 |
234 |
2348 |
|
|
48 |
Bu |
1320 |
1375 |
1.042 |
234 |
2349 |
|
|
49 |
Bu |
1204 |
1249 |
1.037 |
234 |
2350 |
|
|
50 |
Bu |
1056 |
1061 |
1.005 |
234 |
2351 |
|
|
51 |
Bu |
1026 |
1035 |
1.009 |
234 |
2352 |
|
|
52 |
Bu |
873 |
888 |
1.018 |
234 |
2353 |
|
|
53 |
Bu |
451 |
470 |
1.043 |
234 |
2354 |
|
|
54 |
Bu |
129 |
139 |
1.077 |
234 |
2355 |