H2 |
Hydrogen diatomic |
1 |
Σg |
4318 |
4161 |
0.964 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1382 |
1360 |
0.984 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
333 |
346 |
1.040 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1144 |
1133 |
0.991 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
155 |
158 |
1.015 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
2011 |
1987 |
0.988 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1392 |
1432 |
1.029 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2253 |
2269 |
1.007 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1594 |
1625 |
1.020 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2700 |
2733 |
1.012 |
10 |
10 |
|
|
1 |
Σ |
2949 |
|
|
10 |
11 |
SiH |
Silylidyne |
1 |
Σ |
1921 |
1971 |
1.026 |
11 |
12 |
Si2 |
Silicon diatomic |
1 |
Σg |
447 |
507 |
1.135 |
12 |
13 |
NH |
Imidogen |
1 |
Σ |
3095 |
3126 |
1.010 |
13 |
14 |
CN |
Cyano radical |
1 |
Σ |
2071 |
2042 |
0.986 |
14 |
15 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2329 |
2330 |
1.000 |
15 |
16 |
|
|
1 |
Σg |
1446 |
1733 |
1.199 |
15 |
17 |
SiN |
Silicon nitride |
1 |
Σ |
1133 |
1138 |
1.005 |
16 |
18 |
PH |
phosphorus monohydride |
1 |
Σ |
2230 |
2276 |
1.021 |
17 |
19 |
|
|
1 |
Σ |
2227 |
2319 |
1.041 |
17 |
20 |
CP |
Carbon monophosphide |
1 |
Σ |
1224 |
1226 |
1.001 |
18 |
21 |
PN |
Phosphorus mononitride |
1 |
Σ |
1315 |
1323 |
1.006 |
19 |
22 |
P2 |
Phosphorus diatomic |
1 |
Σg |
749 |
775 |
1.034 |
20 |
23 |
OH |
Hydroxyl radical |
1 |
Σ |
3483 |
3570 |
1.025 |
21 |
24 |
LiO |
lithium oxide |
1 |
Σ |
873 |
799 |
0.915 |
22 |
25 |
BeO |
beryllium oxide |
1 |
Σ |
1467 |
1435 |
0.978 |
23 |
26 |
BO |
boron monoxide |
1 |
Σ |
1844 |
1862 |
1.010 |
24 |
27 |
CO |
Carbon monoxide |
1 |
Σ |
2120 |
2143 |
1.011 |
25 |
28 |
|
|
1 |
Σ |
1694 |
|
|
25 |
29 |
NaO |
sodium monoxide |
1 |
Σ |
473 |
|
|
26 |
30 |
MgO |
magnesium oxide |
1 |
Σ |
787 |
775 |
0.985 |
27 |
31 |
SiO |
Silicon monoxide |
1 |
Σ |
1176 |
1230 |
1.046 |
28 |
32 |
HS |
Mercapto radical |
1 |
Σ |
2513 |
2599 |
1.034 |
29 |
33 |
BeS |
beryllium sulfide |
1 |
Σ |
972 |
986 |
1.014 |
30 |
34 |
BS |
boron sulfide |
1 |
Σ |
1134 |
1167 |
1.030 |
31 |
35 |
CS |
carbon monosulfide |
1 |
Σ |
1230 |
1272 |
1.034 |
32 |
36 |
SO |
Sulfur monoxide |
1 |
Σ |
1021 |
1138 |
1.115 |
33 |
37 |
|
|
1 |
Σ |
1019 |
1054 |
1.035 |
33 |
38 |
MgS |
magnesium sulfide |
1 |
Σ |
504 |
523 |
1.038 |
34 |
39 |
AlS |
Aluminum sulfide |
1 |
Σ |
573 |
610 |
1.066 |
35 |
40 |
SiS |
silicon monosulfide |
1 |
Σ |
694 |
744 |
1.072 |
36 |
41 |
S2 |
Sulfur diatomic |
1 |
Σg |
633 |
720 |
1.137 |
37 |
42 |
HF |
Hydrogen fluoride |
1 |
Σ |
3806 |
3961 |
1.041 |
38 |
43 |
LiF |
lithium fluoride |
1 |
Σ |
971 |
896 |
0.922 |
39 |
44 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1208 |
|
|
40 |
45 |
CF |
Fluoromethylidyne |
1 |
Σ |
1216 |
1286 |
1.057 |
41 |
46 |
NF |
nitrogen fluoride |
1 |
Σ |
1081 |
1123 |
1.039 |
42 |
47 |
F2 |
Fluorine diatomic |
1 |
Σg |
901 |
894 |
0.993 |
43 |
48 |
NaF |
sodium fluoride |
1 |
Σ |
540 |
529 |
0.979 |
44 |
49 |
MgF |
Magnesium monofluoride |
1 |
Σ |
685 |
|
|
45 |
50 |
AlF |
Aluminum monofluoride |
1 |
Σ |
759 |
793 |
1.045 |
46 |
51 |
SiF |
silicon monofluoride |
1 |
Σ |
789 |
848 |
1.075 |
47 |
52 |
PF |
phosphorus monofluoride |
1 |
Σ |
762 |
838 |
1.100 |
48 |
53 |
SF |
Monosulfur monofluoride |
1 |
Σ |
729 |
829 |
1.137 |
49 |
54 |
HCl |
Hydrogen chloride |
1 |
Σ |
2766 |
2886 |
1.043 |
50 |
55 |
LiCl |
lithium chloride |
1 |
Σ |
625 |
634 |
1.015 |
51 |
56 |
BeCl |
beryllium monochloride |
1 |
Σ |
809 |
847 |
1.046 |
52 |
57 |
BCl |
boron monochloride |
1 |
Σ |
780 |
829 |
1.063 |
53 |
58 |
CCl |
carbon monochloride |
1 |
Σ |
784 |
866 |
1.105 |
54 |
59 |
ClO |
Monochlorine monoxide |
1 |
Σ |
749 |
843 |
1.124 |
55 |
60 |
ClF |
Chlorine monofluoride |
1 |
Σ |
680 |
773 |
1.137 |
56 |
61 |
NaCl |
Sodium Chloride |
1 |
Σ |
344 |
361 |
1.050 |
57 |
62 |
MgCl |
magnesium monochloride |
1 |
Σ |
419 |
|
|
58 |
63 |
AlCl |
Aluminum monochloride |
1 |
Σ |
431 |
478 |
1.107 |
59 |
64 |
SiCl |
Clorosilylidyne |
1 |
Σ |
469 |
531 |
1.132 |
60 |
65 |
PCl |
phosphorus chloride |
1 |
Σ |
477 |
547 |
1.146 |
61 |
66 |
SCl |
sulfur monochloride |
1 |
Σ |
490 |
577 |
1.176 |
62 |
67 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
468 |
554 |
1.183 |
63 |
68 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2231 |
2159 |
0.968 |
64 |
69 |
|
|
3 |
Πu |
756 |
698 |
0.923 |
64 |
70 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1609 |
1572 |
0.977 |
65 |
71 |
|
|
3 |
Πu |
453 |
440 |
0.972 |
65 |
72 |
BH2 |
boron dihydride |
2 |
A1 |
961 |
954 |
0.993 |
66 |
73 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1759 |
1770 |
1.006 |
67 |
74 |
|
|
2 |
A1 |
750 |
760 |
1.013 |
67 |
75 |
|
|
3 |
B2 |
1809 |
1807 |
0.999 |
67 |
76 |
SiH2 |
silicon dihydride |
1 |
A1 |
1959 |
1996 |
1.019 |
68 |
77 |
|
|
2 |
A1 |
1007 |
999 |
0.993 |
68 |
78 |
|
|
3 |
B2 |
1957 |
1993 |
1.018 |
68 |
79 |
NH2 |
Amino radical |
1 |
A1 |
3188 |
3219 |
1.010 |
69 |
80 |
|
|
2 |
A1 |
1562 |
1497 |
0.959 |
69 |
81 |
|
|
3 |
B2 |
3278 |
3301 |
1.007 |
69 |
82 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3361 |
3312 |
0.985 |
70 |
83 |
|
|
2 |
Σ |
2110 |
2089 |
0.990 |
70 |
84 |
|
|
3 |
Π |
731 |
712 |
0.974 |
70 |
85 |
PH2 |
Phosphino radical |
1 |
A1 |
2243 |
2310 |
1.030 |
71 |
86 |
|
|
2 |
A1 |
1119 |
1102 |
0.984 |
71 |
87 |
HCP |
Phosphaethyne |
1 |
Σ |
3263 |
3217 |
0.986 |
72 |
88 |
|
|
2 |
Σ |
1283 |
1278 |
0.996 |
72 |
89 |
|
|
3 |
Π |
677 |
674 |
0.996 |
72 |
90 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
1945 |
2095 |
1.077 |
73 |
91 |
|
|
2 |
A' |
1134 |
1188 |
1.048 |
73 |
92 |
|
|
3 |
A' |
976 |
986 |
1.010 |
73 |
93 |
H2O |
Water |
1 |
A1 |
3606 |
3657 |
1.014 |
74 |
94 |
|
|
2 |
A1 |
1671 |
1595 |
0.954 |
74 |
95 |
|
|
3 |
B2 |
3721 |
3756 |
1.009 |
74 |
96 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1261 |
1246 |
0.988 |
75 |
97 |
HBO |
Boron hydride oxide |
1 |
Σ |
2827 |
2850 |
1.008 |
76 |
98 |
|
|
2 |
Σ |
1804 |
1826 |
1.012 |
76 |
99 |
|
|
3 |
Π |
764 |
756 |
0.990 |
76 |
100 |
HCO |
Formyl radical |
1 |
A' |
2498 |
2434 |
0.974 |
77 |
101 |
|
|
2 |
A' |
1848 |
1868 |
1.011 |
77 |
102 |
|
|
3 |
A' |
1093 |
1081 |
0.989 |
77 |
103 |
HNO |
Nitrosyl hydride |
1 |
A' |
2585 |
2684 |
1.038 |
78 |
104 |
|
|
2 |
A' |
1574 |
1565 |
0.994 |
78 |
105 |
|
|
3 |
A' |
1520 |
1501 |
0.988 |
78 |
106 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3347 |
3436 |
1.027 |
79 |
107 |
|
|
2 |
A' |
1406 |
1392 |
0.990 |
79 |
108 |
|
|
3 |
A' |
1064 |
1098 |
1.031 |
79 |
109 |
CO2 |
Carbon dioxide |
1 |
Σg |
1308 |
1333 |
1.019 |
80 |
110 |
|
|
2 |
Σu |
2344 |
2349 |
1.002 |
80 |
111 |
|
|
3 |
Πu |
630 |
667 |
1.058 |
80 |
112 |
N2O |
Nitrous oxide |
1 |
Σ |
2234 |
2224 |
0.996 |
81 |
113 |
|
|
2 |
Σ |
1265 |
1285 |
1.016 |
81 |
114 |
|
|
3 |
Π |
572 |
589 |
1.029 |
81 |
115 |
SiO2 |
silicon dioxide |
2 |
Σu |
1389 |
1416 |
1.020 |
82 |
116 |
|
|
3 |
Πu |
274 |
273 |
0.996 |
82 |
117 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2530 |
2615 |
1.034 |
83 |
118 |
|
|
2 |
A1 |
1210 |
1183 |
0.977 |
83 |
119 |
|
|
3 |
B2 |
2549 |
2626 |
1.030 |
83 |
120 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2769 |
2736 |
0.988 |
84 |
121 |
|
|
2 |
Σ |
1147 |
1172 |
1.022 |
84 |
122 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2038 |
2062 |
1.012 |
85 |
123 |
|
|
2 |
Σ |
840 |
859 |
1.023 |
85 |
124 |
|
|
3 |
Π |
494 |
520 |
1.053 |
85 |
125 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1040 |
1151 |
1.107 |
86 |
126 |
|
|
2 |
A1 |
473 |
518 |
1.095 |
86 |
127 |
|
|
3 |
B2 |
1215 |
1362 |
1.121 |
86 |
128 |
CS2 |
Carbon disulfide |
1 |
Σg |
645 |
658 |
1.020 |
87 |
129 |
|
|
2 |
Σu |
1504 |
1535 |
1.021 |
87 |
130 |
|
|
3 |
Πu |
376 |
397 |
1.057 |
87 |
131 |
SSO |
Disulfur monoxide |
1 |
A' |
1048 |
1166 |
1.113 |
88 |
132 |
|
|
2 |
A' |
590 |
679 |
1.150 |
88 |
133 |
|
|
3 |
A' |
348 |
380 |
1.092 |
88 |
134 |
HCF |
Fluoromethylene |
1 |
A' |
2630 |
2643 |
1.005 |
89 |
135 |
|
|
2 |
A' |
1427 |
1403 |
0.984 |
89 |
136 |
|
|
3 |
A' |
1123 |
1189 |
1.059 |
89 |
137 |
HOF |
Hypofluorous acid |
1 |
A' |
3525 |
3578 |
1.015 |
90 |
138 |
|
|
2 |
A' |
1349 |
1362 |
1.010 |
90 |
139 |
|
|
3 |
A' |
872 |
893 |
1.025 |
90 |
140 |
CF2 |
Difluoromethylene |
1 |
A1 |
1147 |
1225 |
1.068 |
91 |
141 |
|
|
2 |
A1 |
630 |
667 |
1.058 |
91 |
142 |
|
|
3 |
B2 |
1011 |
1114 |
1.102 |
91 |
143 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1852 |
1844 |
0.996 |
92 |
144 |
|
|
2 |
A' |
748 |
766 |
1.024 |
92 |
145 |
|
|
3 |
A' |
477 |
520 |
1.090 |
92 |
146 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1012 |
1075 |
1.062 |
93 |
147 |
|
|
2 |
A1 |
519 |
573 |
1.105 |
93 |
148 |
|
|
3 |
B2 |
832 |
942 |
1.133 |
93 |
149 |
F2O |
Difluorine monoxide |
1 |
A1 |
903 |
928 |
1.027 |
94 |
150 |
|
|
2 |
A1 |
419 |
461 |
1.099 |
94 |
151 |
|
|
3 |
B2 |
726 |
831 |
1.145 |
94 |
152 |
HOCl |
hypochlorous acid |
1 |
A' |
3555 |
3609 |
1.015 |
95 |
153 |
|
|
2 |
A' |
1245 |
1239 |
0.995 |
95 |
154 |
|
|
3 |
A' |
638 |
724 |
1.135 |
95 |
155 |
ClCN |
chlorocyanogen |
1 |
Σ |
2206 |
2216 |
1.005 |
96 |
156 |
|
|
2 |
Σ |
701 |
744 |
1.061 |
96 |
157 |
|
|
3 |
Π |
376 |
378 |
1.004 |
96 |
158 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1853 |
1800 |
0.971 |
97 |
159 |
|
|
2 |
A' |
556 |
596 |
1.072 |
97 |
160 |
|
|
3 |
A' |
299 |
332 |
1.109 |
97 |
161 |
OClO |
Chlorine dioxide |
1 |
A1 |
771 |
946 |
1.227 |
98 |
162 |
|
|
2 |
A1 |
369 |
448 |
1.213 |
98 |
163 |
|
|
3 |
B2 |
874 |
1110 |
1.271 |
98 |
164 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
575 |
639 |
1.111 |
99 |
165 |
|
|
2 |
A1 |
261 |
296 |
1.133 |
99 |
166 |
|
|
3 |
B2 |
477 |
686 |
1.438 |
99 |
167 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
461 |
522 |
1.132 |
100 |
168 |
|
|
2 |
A1 |
182 |
201 |
1.102 |
100 |
169 |
|
|
3 |
B2 |
447 |
509 |
1.139 |
100 |
170 |
ClS2 |
Sulfur chloride |
1 |
A' |
605 |
662 |
1.094 |
101 |
171 |
|
|
2 |
A' |
337 |
450 |
1.335 |
101 |
172 |
|
|
3 |
A' |
180 |
196 |
1.088 |
101 |
173 |
BH3 |
boron trihydride |
2 |
A2" |
1131 |
1148 |
1.014 |
102 |
174 |
|
|
3 |
E' |
2625 |
2602 |
0.991 |
102 |
175 |
|
|
4 |
E' |
1167 |
1197 |
1.026 |
102 |
176 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1895 |
1900 |
1.003 |
103 |
177 |
|
|
2 |
A2" |
692 |
698 |
1.009 |
103 |
178 |
|
|
3 |
E' |
1908 |
1883 |
0.987 |
103 |
179 |
|
|
4 |
E' |
778 |
783 |
1.007 |
103 |
180 |
C2H2 |
Acetylene |
1 |
Σg |
3432 |
3374 |
0.983 |
104 |
181 |
|
|
2 |
Σg |
2004 |
1974 |
0.985 |
104 |
182 |
|
|
3 |
Σu |
3334 |
3289 |
0.986 |
104 |
183 |
|
|
4 |
Πg |
465 |
612 |
1.316 |
104 |
184 |
|
|
5 |
Πu |
721 |
730 |
1.012 |
104 |
185 |
SiH3 |
Silyl radical |
1 |
A1 |
2125 |
2136 |
1.005 |
105 |
186 |
|
|
2 |
A1 |
742 |
728 |
0.981 |
105 |
187 |
|
|
3 |
E |
2169 |
2185 |
1.008 |
105 |
188 |
|
|
4 |
E |
913 |
922 |
1.010 |
105 |
189 |
NH3 |
Ammonia |
1 |
A1 |
3344 |
3337 |
0.998 |
106 |
190 |
|
|
2 |
A1 |
1112 |
950 |
0.854 |
106 |
191 |
|
|
3 |
E |
3464 |
3444 |
0.994 |
106 |
192 |
|
|
4 |
E |
1713 |
1627 |
0.950 |
106 |
193 |
C2N2 |
Cyanogen |
1 |
Σg |
2319 |
2330 |
1.005 |
107 |
194 |
|
|
2 |
Σg |
866 |
846 |
0.977 |
107 |
195 |
|
|
3 |
Σu |
2159 |
2158 |
1.000 |
107 |
196 |
|
|
4 |
Πg |
555 |
503 |
0.906 |
107 |
197 |
|
|
5 |
Πu |
250 |
234 |
0.935 |
107 |
198 |
PH3 |
Phosphine |
1 |
A1 |
2284 |
2323 |
1.017 |
108 |
199 |
|
|
2 |
A1 |
1028 |
992 |
0.965 |
108 |
200 |
|
|
3 |
E |
2294 |
2328 |
1.015 |
108 |
201 |
|
|
4 |
E |
1133 |
1118 |
0.987 |
108 |
202 |
P4 |
Phosphorus tetramer |
1 |
A1 |
557 |
601 |
1.078 |
109 |
203 |
|
|
2 |
E |
341 |
361 |
1.059 |
109 |
204 |
|
|
3 |
T2 |
425 |
467 |
1.099 |
109 |
205 |
H2CO |
Formaldehyde |
1 |
A1 |
2769 |
2782 |
1.005 |
110 |
206 |
|
|
2 |
A1 |
1760 |
1746 |
0.992 |
110 |
207 |
|
|
3 |
A1 |
1507 |
1500 |
0.995 |
110 |
208 |
|
|
4 |
B1 |
1148 |
1167 |
1.016 |
110 |
209 |
|
|
5 |
B2 |
2803 |
2843 |
1.014 |
110 |
210 |
|
|
6 |
B2 |
1242 |
1249 |
1.006 |
110 |
211 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3575 |
3599 |
1.007 |
111 |
212 |
|
|
2 |
A |
1431 |
1402 |
0.980 |
111 |
213 |
|
|
3 |
A |
855 |
877 |
1.026 |
111 |
214 |
|
|
4 |
A |
294 |
371 |
1.261 |
111 |
215 |
|
|
5 |
B |
3579 |
3608 |
1.008 |
111 |
216 |
|
|
6 |
B |
1252 |
1266 |
1.011 |
111 |
217 |
HNCO |
Isocyanic acid |
1 |
A' |
3574 |
3538 |
0.990 |
112 |
218 |
|
|
2 |
A' |
2273 |
2269 |
0.998 |
112 |
219 |
|
|
3 |
A' |
1280 |
1327 |
1.037 |
112 |
220 |
|
|
4 |
A' |
803 |
777 |
0.968 |
112 |
221 |
|
|
5 |
A' |
560 |
577 |
1.031 |
112 |
222 |
|
|
6 |
A" |
604 |
656 |
1.087 |
112 |
223 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2052 |
2060 |
1.004 |
113 |
224 |
|
|
2 |
Σg |
608 |
585 |
0.963 |
113 |
225 |
|
|
3 |
Σu |
1888 |
1898 |
1.005 |
113 |
226 |
|
|
4 |
Πg |
504 |
410 |
0.814 |
113 |
227 |
|
|
5 |
Πu |
215 |
213 |
0.989 |
113 |
228 |
H2CS |
Thioformaldehyde |
1 |
A1 |
2977 |
2971 |
0.998 |
114 |
229 |
|
|
2 |
A1 |
1473 |
1456 |
0.988 |
114 |
230 |
|
|
3 |
A1 |
1036 |
1059 |
1.022 |
114 |
231 |
|
|
4 |
B1 |
987 |
990 |
1.003 |
114 |
232 |
|
|
5 |
B2 |
3057 |
3025 |
0.989 |
114 |
233 |
|
|
6 |
B2 |
995 |
991 |
0.996 |
114 |
234 |
H2S2 |
Disulfane |
1 |
A |
2478 |
2556 |
1.032 |
115 |
235 |
|
|
2 |
A |
857 |
882 |
1.029 |
115 |
236 |
|
|
3 |
A |
439 |
515 |
1.171 |
115 |
237 |
|
|
4 |
A |
418 |
417 |
0.999 |
115 |
238 |
|
|
5 |
B |
2479 |
2559 |
1.032 |
115 |
239 |
|
|
6 |
B |
857 |
878 |
1.025 |
115 |
240 |
SO3 |
Sulfur trioxide |
1 |
A1' |
937 |
1065 |
1.136 |
116 |
241 |
|
|
2 |
A2" |
425 |
498 |
1.172 |
116 |
242 |
|
|
3 |
E' |
1243 |
1391 |
1.119 |
116 |
243 |
|
|
4 |
E' |
464 |
530 |
1.143 |
116 |
244 |
BHF2 |
Difluoroborane |
1 |
A1 |
2629 |
2621 |
0.997 |
117 |
245 |
|
|
2 |
A1 |
1108 |
1164 |
1.050 |
117 |
246 |
|
|
3 |
A1 |
521 |
542 |
1.040 |
117 |
247 |
|
|
4 |
B1 |
897 |
924 |
1.029 |
117 |
248 |
|
|
5 |
B2 |
1360 |
1402 |
1.031 |
117 |
249 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1902 |
1928 |
1.014 |
118 |
250 |
|
|
2 |
A1 |
901 |
965 |
1.071 |
118 |
251 |
|
|
3 |
A1 |
551 |
584 |
1.060 |
118 |
252 |
|
|
4 |
B1 |
732 |
774 |
1.058 |
118 |
253 |
|
|
5 |
B2 |
1135 |
1249 |
1.101 |
118 |
254 |
|
|
6 |
B2 |
587 |
626 |
1.067 |
118 |
255 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
842 |
888 |
1.055 |
119 |
256 |
|
|
2 |
A2" |
661 |
691 |
1.046 |
119 |
257 |
|
|
3 |
E' |
1387 |
1449 |
1.045 |
119 |
258 |
|
|
4 |
E' |
458 |
480 |
1.047 |
119 |
259 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1471 |
1523 |
1.035 |
120 |
260 |
|
|
2 |
Ag |
940 |
1018 |
1.083 |
120 |
261 |
|
|
3 |
Ag |
550 |
603 |
1.097 |
120 |
262 |
|
|
4 |
Au |
336 |
364 |
1.082 |
120 |
263 |
|
|
5 |
Bu |
897 |
991 |
1.105 |
120 |
264 |
|
|
6 |
Bu |
392 |
423 |
1.080 |
120 |
265 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1015 |
1089 |
1.073 |
121 |
266 |
|
|
2 |
A1 |
660 |
701 |
1.062 |
121 |
267 |
|
|
3 |
E |
1151 |
1260 |
1.094 |
121 |
268 |
|
|
4 |
E |
478 |
509 |
1.064 |
121 |
269 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
969 |
1032 |
1.066 |
122 |
270 |
|
|
2 |
A1 |
575 |
647 |
1.125 |
122 |
271 |
|
|
3 |
E |
767 |
907 |
1.183 |
122 |
272 |
|
|
4 |
E |
429 |
492 |
1.147 |
122 |
273 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
660 |
690 |
1.046 |
123 |
274 |
|
|
2 |
A2" |
276 |
297 |
1.076 |
123 |
275 |
|
|
3 |
E' |
929 |
935 |
1.006 |
123 |
276 |
|
|
4 |
E' |
236 |
263 |
1.116 |
123 |
277 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
806 |
892 |
1.107 |
124 |
278 |
|
|
2 |
A1 |
426 |
487 |
1.144 |
124 |
279 |
|
|
3 |
E |
776 |
860 |
1.109 |
124 |
280 |
|
|
4 |
E |
302 |
344 |
1.139 |
124 |
281 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2641 |
2617 |
0.991 |
125 |
282 |
|
|
2 |
A1 |
701 |
740 |
1.055 |
125 |
283 |
|
|
4 |
B1 |
752 |
784 |
1.043 |
125 |
284 |
|
|
5 |
B2 |
1060 |
1089 |
1.027 |
125 |
285 |
|
|
6 |
B2 |
853 |
892 |
1.045 |
125 |
286 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1287 |
1267 |
0.984 |
126 |
287 |
|
|
2 |
A1 |
766 |
793 |
1.035 |
126 |
288 |
|
|
3 |
A1 |
315 |
364 |
1.154 |
126 |
289 |
|
|
4 |
B1 |
609 |
652 |
1.070 |
126 |
290 |
|
|
5 |
B2 |
1730 |
1684 |
0.973 |
126 |
291 |
|
|
6 |
B2 |
364 |
408 |
1.120 |
126 |
292 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
581 |
752 |
1.293 |
127 |
293 |
|
|
2 |
A1 |
453 |
529 |
1.167 |
127 |
294 |
|
|
3 |
A1 |
201 |
328 |
1.634 |
127 |
295 |
|
|
4 |
B1 |
288 |
328 |
1.139 |
127 |
296 |
|
|
5 |
B2 |
662 |
702 |
1.061 |
127 |
297 |
|
|
6 |
B2 |
303 |
442 |
1.459 |
127 |
298 |
CCl2O |
Phosgene |
1 |
A1 |
1824 |
1827 |
1.001 |
128 |
299 |
|
|
2 |
A1 |
512 |
567 |
1.107 |
128 |
300 |
|
|
3 |
A1 |
285 |
285 |
0.999 |
128 |
301 |
|
|
4 |
B1 |
552 |
580 |
1.051 |
128 |
302 |
|
|
5 |
B2 |
736 |
849 |
1.153 |
128 |
303 |
|
|
6 |
B2 |
404 |
440 |
1.090 |
128 |
304 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
794 |
820 |
1.033 |
129 |
305 |
|
|
2 |
A1 |
481 |
500 |
1.041 |
129 |
306 |
|
|
3 |
A1 |
222 |
250 |
1.125 |
129 |
307 |
|
|
4 |
B1 |
245 |
260 |
1.063 |
129 |
308 |
|
|
5 |
B2 |
921 |
900 |
0.977 |
129 |
309 |
|
|
6 |
B2 |
175 |
200 |
1.145 |
129 |
310 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
451 |
471 |
1.045 |
130 |
311 |
|
|
2 |
A2" |
435 |
460 |
1.057 |
130 |
312 |
|
|
3 |
E' |
897 |
956 |
1.065 |
130 |
313 |
|
|
4 |
E' |
251 |
243 |
0.967 |
130 |
314 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
856 |
850 |
0.993 |
131 |
315 |
|
|
2 |
A1 |
413 |
450 |
1.090 |
131 |
316 |
|
|
3 |
A1 |
145 |
150 |
1.034 |
131 |
317 |
|
|
4 |
B1 |
219 |
220 |
1.005 |
131 |
318 |
|
|
5 |
B2 |
600 |
610 |
1.017 |
131 |
319 |
|
|
6 |
B2 |
191 |
200 |
1.048 |
131 |
320 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
363 |
375 |
1.033 |
132 |
321 |
|
|
2 |
A2" |
190 |
183 |
0.961 |
132 |
322 |
|
|
3 |
E' |
590 |
595 |
1.008 |
132 |
323 |
|
|
4 |
E' |
140 |
150 |
1.071 |
132 |
324 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
445 |
504 |
1.133 |
133 |
325 |
|
|
2 |
A1 |
227 |
252 |
1.110 |
133 |
326 |
|
|
3 |
E |
412 |
482 |
1.171 |
133 |
327 |
|
|
4 |
E |
166 |
198 |
1.190 |
133 |
328 |
CH4 |
Methane |
1 |
A1 |
2961 |
2917 |
0.985 |
134 |
329 |
|
|
2 |
E |
1548 |
1534 |
0.991 |
134 |
330 |
|
|
3 |
T2 |
3059 |
3019 |
0.987 |
134 |
331 |
|
|
4 |
T2 |
1324 |
1306 |
0.987 |
134 |
332 |
SiH4 |
Silane |
1 |
A1 |
2177 |
2187 |
1.004 |
135 |
333 |
|
|
2 |
E |
956 |
975 |
1.020 |
135 |
334 |
|
|
3 |
T2 |
2186 |
2191 |
1.002 |
135 |
335 |
|
|
4 |
T2 |
895 |
914 |
1.022 |
135 |
336 |
CH2NH |
Methanimine |
1 |
A' |
3280 |
3263 |
0.995 |
136 |
337 |
|
|
2 |
A' |
3016 |
3024 |
1.003 |
136 |
338 |
|
|
3 |
A' |
2907 |
2914 |
1.003 |
136 |
339 |
|
|
4 |
A' |
1654 |
1638 |
0.991 |
136 |
340 |
|
|
5 |
A' |
1467 |
1452 |
0.990 |
136 |
341 |
|
|
6 |
A' |
1357 |
1344 |
0.990 |
136 |
342 |
|
|
7 |
A' |
1064 |
1058 |
0.994 |
136 |
343 |
|
|
8 |
A" |
1148 |
1127 |
0.981 |
136 |
344 |
|
|
9 |
A" |
1048 |
1061 |
1.012 |
136 |
345 |
CH2CO |
Ketene |
1 |
A1 |
3097 |
3070 |
0.992 |
137 |
346 |
|
|
2 |
A1 |
2154 |
2152 |
0.999 |
137 |
347 |
|
|
3 |
A1 |
1377 |
1388 |
1.008 |
137 |
348 |
|
|
4 |
A1 |
1136 |
1118 |
0.984 |
137 |
349 |
|
|
5 |
B1 |
562 |
588 |
1.047 |
137 |
350 |
|
|
6 |
B1 |
498 |
528 |
1.061 |
137 |
351 |
|
|
7 |
B2 |
3179 |
3166 |
0.996 |
137 |
352 |
|
|
8 |
B2 |
976 |
977 |
1.001 |
137 |
353 |
|
|
9 |
B2 |
434 |
433 |
0.998 |
137 |
354 |
HCOOH |
Formic acid |
1 |
A' |
3529 |
3570 |
1.012 |
138 |
355 |
|
|
2 |
A' |
2955 |
2943 |
0.996 |
138 |
356 |
|
|
3 |
A' |
1758 |
1770 |
1.007 |
138 |
357 |
|
|
4 |
A' |
1373 |
1387 |
1.010 |
138 |
358 |
|
|
5 |
A' |
1272 |
1229 |
0.966 |
138 |
359 |
|
|
6 |
A' |
1069 |
1105 |
1.034 |
138 |
360 |
|
|
7 |
A' |
606 |
625 |
1.032 |
138 |
361 |
|
|
8 |
A" |
1002 |
1033 |
1.030 |
138 |
362 |
|
|
9 |
A" |
711 |
638 |
0.898 |
138 |
363 |
HNO3 |
Nitric acid |
1 |
A' |
3545 |
3550 |
1.002 |
139 |
364 |
|
|
2 |
A' |
1685 |
1708 |
1.014 |
139 |
365 |
|
|
3 |
A' |
1290 |
1331 |
1.032 |
139 |
366 |
|
|
4 |
A' |
1252 |
1325 |
1.058 |
139 |
367 |
|
|
5 |
A' |
827 |
879 |
1.063 |
139 |
368 |
|
|
6 |
A' |
564 |
647 |
1.146 |
139 |
369 |
|
|
7 |
A' |
536 |
579 |
1.080 |
139 |
370 |
|
|
8 |
A" |
720 |
762 |
1.058 |
139 |
371 |
|
|
9 |
A" |
477 |
456 |
0.957 |
139 |
372 |
CH3F |
Methyl fluoride |
1 |
A1 |
2941 |
2930 |
0.996 |
140 |
373 |
|
|
2 |
A1 |
1470 |
1464 |
0.996 |
140 |
374 |
|
|
3 |
A1 |
999 |
1049 |
1.050 |
140 |
375 |
|
|
4 |
E |
3014 |
3006 |
0.997 |
140 |
376 |
|
|
5 |
E |
1467 |
1467 |
1.000 |
140 |
377 |
|
|
6 |
E |
1161 |
1182 |
1.018 |
140 |
378 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
2963 |
2948 |
0.995 |
141 |
379 |
|
|
2 |
A1 |
1495 |
1508 |
1.009 |
141 |
380 |
|
|
3 |
A1 |
1051 |
1111 |
1.057 |
141 |
381 |
|
|
4 |
A1 |
498 |
529 |
1.061 |
141 |
382 |
|
|
5 |
A2 |
1232 |
1262 |
1.024 |
141 |
383 |
|
|
6 |
B1 |
3032 |
3014 |
0.994 |
141 |
384 |
|
|
7 |
B1 |
1149 |
1178 |
1.026 |
141 |
385 |
|
|
8 |
B2 |
1437 |
1435 |
0.999 |
141 |
386 |
|
|
9 |
B2 |
1013 |
1090 |
1.076 |
141 |
387 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3050 |
3036 |
0.995 |
142 |
388 |
|
|
2 |
A1 |
1076 |
1117 |
1.038 |
142 |
389 |
|
|
3 |
A1 |
658 |
700 |
1.063 |
142 |
390 |
|
|
4 |
E |
1353 |
1372 |
1.014 |
142 |
391 |
|
|
5 |
E |
1070 |
1152 |
1.076 |
142 |
392 |
|
|
6 |
E |
478 |
507 |
1.062 |
142 |
393 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
845 |
909 |
1.075 |
143 |
394 |
|
|
2 |
E |
409 |
435 |
1.064 |
143 |
395 |
|
|
3 |
T2 |
1180 |
1283 |
1.088 |
143 |
396 |
|
|
4 |
T2 |
589 |
631 |
1.073 |
143 |
397 |
SiH3F |
monofluorosilane |
1 |
A1 |
2188 |
2206 |
1.008 |
144 |
398 |
|
|
2 |
A1 |
1006 |
990 |
0.985 |
144 |
399 |
|
|
3 |
A1 |
821 |
872 |
1.062 |
144 |
400 |
|
|
4 |
E |
2195 |
2196 |
1.000 |
144 |
401 |
|
|
5 |
E |
929 |
956 |
1.029 |
144 |
402 |
|
|
6 |
E |
713 |
728 |
1.021 |
144 |
403 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
736 |
800 |
1.087 |
145 |
404 |
|
|
2 |
E |
245 |
268 |
1.092 |
145 |
405 |
|
|
3 |
T2 |
975 |
1032 |
1.058 |
145 |
406 |
|
|
4 |
T2 |
359 |
389 |
1.084 |
145 |
407 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1335 |
1417 |
1.061 |
146 |
408 |
|
|
2 |
A1 |
770 |
873 |
1.133 |
146 |
409 |
|
|
3 |
A1 |
433 |
472 |
1.091 |
146 |
410 |
|
|
4 |
E |
892 |
991 |
1.111 |
146 |
411 |
|
|
5 |
E |
418 |
482 |
1.153 |
146 |
412 |
|
|
6 |
E |
298 |
336 |
1.128 |
146 |
413 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3002 |
2966 |
0.988 |
147 |
414 |
|
|
2 |
A1 |
1362 |
1355 |
0.995 |
147 |
415 |
|
|
3 |
A1 |
662 |
732 |
1.105 |
147 |
416 |
|
|
4 |
E |
3097 |
3042 |
0.982 |
147 |
417 |
|
|
5 |
E |
1459 |
1455 |
0.997 |
147 |
418 |
|
|
6 |
E |
1010 |
1015 |
1.005 |
147 |
419 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2193 |
2201 |
1.004 |
148 |
420 |
|
|
2 |
A1 |
935 |
949 |
1.015 |
148 |
421 |
|
|
3 |
A1 |
499 |
551 |
1.104 |
148 |
422 |
|
|
4 |
E |
2209 |
2195 |
0.994 |
148 |
423 |
|
|
5 |
E |
933 |
954 |
1.023 |
148 |
424 |
|
|
6 |
E |
644 |
664 |
1.031 |
148 |
425 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3049 |
2999 |
0.984 |
149 |
426 |
|
|
2 |
A1 |
1428 |
1467 |
1.027 |
149 |
427 |
|
|
3 |
A1 |
658 |
717 |
1.089 |
149 |
428 |
|
|
4 |
A1 |
270 |
282 |
1.043 |
149 |
429 |
|
|
5 |
A2 |
1158 |
1153 |
0.996 |
149 |
430 |
|
|
6 |
B1 |
3129 |
3040 |
0.972 |
149 |
431 |
|
|
7 |
B1 |
881 |
898 |
1.020 |
149 |
432 |
|
|
8 |
B2 |
1277 |
1268 |
0.993 |
149 |
433 |
|
|
9 |
B2 |
648 |
758 |
1.169 |
149 |
434 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1003 |
1105 |
1.102 |
150 |
435 |
|
|
2 |
A1 |
730 |
781 |
1.071 |
150 |
436 |
|
|
3 |
A1 |
423 |
476 |
1.125 |
150 |
437 |
|
|
4 |
E |
1137 |
1212 |
1.066 |
150 |
438 |
|
|
5 |
E |
529 |
563 |
1.065 |
150 |
439 |
|
|
6 |
E |
327 |
350 |
1.071 |
150 |
440 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2211 |
2224 |
1.006 |
151 |
441 |
|
|
2 |
A1 |
935 |
954 |
1.020 |
151 |
442 |
|
|
3 |
A1 |
483 |
527 |
1.092 |
151 |
443 |
|
|
4 |
A1 |
180 |
188 |
1.044 |
151 |
444 |
|
|
5 |
A2 |
699 |
710 |
1.016 |
151 |
445 |
|
|
6 |
B1 |
2231 |
2237 |
1.003 |
151 |
446 |
|
|
7 |
B1 |
577 |
602 |
1.044 |
151 |
447 |
|
|
8 |
B2 |
862 |
876 |
1.016 |
151 |
448 |
|
|
9 |
B2 |
537 |
590 |
1.099 |
151 |
449 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
865 |
1061 |
1.227 |
152 |
450 |
|
|
2 |
A1 |
600 |
715 |
1.193 |
152 |
451 |
|
|
3 |
A1 |
423 |
549 |
1.299 |
152 |
452 |
|
|
4 |
E |
1076 |
1315 |
1.222 |
152 |
453 |
|
|
5 |
E |
472 |
589 |
1.248 |
152 |
454 |
|
|
6 |
E |
304 |
405 |
1.332 |
152 |
455 |
CHCl3 |
Chloroform |
1 |
A1 |
3109 |
3034 |
0.976 |
153 |
456 |
|
|
2 |
A1 |
630 |
680 |
1.079 |
153 |
457 |
|
|
3 |
A1 |
347 |
366 |
1.055 |
153 |
458 |
|
|
4 |
E |
1216 |
1220 |
1.003 |
153 |
459 |
|
|
5 |
E |
656 |
774 |
1.181 |
153 |
460 |
|
|
6 |
E |
250 |
260 |
1.042 |
153 |
461 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1027 |
1101 |
1.072 |
154 |
462 |
|
|
2 |
A1 |
625 |
667 |
1.068 |
154 |
463 |
|
|
3 |
A1 |
413 |
458 |
1.108 |
154 |
464 |
|
|
4 |
A1 |
247 |
262 |
1.059 |
154 |
465 |
|
|
5 |
A2 |
306 |
322 |
1.054 |
154 |
466 |
|
|
6 |
B1 |
795 |
902 |
1.135 |
154 |
467 |
|
|
7 |
B1 |
396 |
437 |
1.102 |
154 |
468 |
|
|
8 |
B2 |
1097 |
1159 |
1.057 |
154 |
469 |
|
|
9 |
B2 |
411 |
446 |
1.085 |
154 |
470 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1027 |
1085 |
1.056 |
155 |
471 |
|
|
2 |
A1 |
487 |
535 |
1.098 |
155 |
472 |
|
|
3 |
A1 |
329 |
350 |
1.063 |
155 |
473 |
|
|
4 |
E |
729 |
847 |
1.161 |
155 |
474 |
|
|
5 |
E |
371 |
394 |
1.063 |
155 |
475 |
|
|
6 |
E |
234 |
241 |
1.031 |
155 |
476 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1073 |
1205 |
1.123 |
156 |
477 |
|
|
2 |
A1 |
487 |
577 |
1.184 |
156 |
478 |
|
|
3 |
A1 |
310 |
408 |
1.316 |
156 |
479 |
|
|
4 |
A1 |
170 |
218 |
1.282 |
156 |
480 |
|
|
5 |
A2 |
234 |
282 |
1.206 |
156 |
481 |
|
|
6 |
B1 |
490 |
586 |
1.195 |
156 |
482 |
|
|
7 |
B1 |
298 |
388 |
1.301 |
156 |
483 |
|
|
8 |
B2 |
1305 |
1434 |
1.099 |
156 |
484 |
|
|
9 |
B2 |
305 |
362 |
1.188 |
156 |
485 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2251 |
2261 |
1.004 |
157 |
486 |
|
|
2 |
A1 |
455 |
499 |
1.097 |
157 |
487 |
|
|
3 |
A1 |
240 |
254 |
1.056 |
157 |
488 |
|
|
4 |
E |
789 |
811 |
1.028 |
157 |
489 |
|
|
5 |
E |
550 |
600 |
1.090 |
157 |
490 |
|
|
6 |
E |
169 |
176 |
1.039 |
157 |
491 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
419 |
459 |
1.095 |
158 |
492 |
|
|
2 |
E |
211 |
217 |
1.029 |
158 |
493 |
|
|
3 |
T2 |
663 |
776 |
1.170 |
158 |
494 |
|
|
4 |
T2 |
299 |
314 |
1.049 |
158 |
495 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1246 |
1322 |
1.061 |
159 |
496 |
|
|
2 |
A1 |
404 |
481 |
1.189 |
159 |
497 |
|
|
3 |
A1 |
244 |
266 |
1.088 |
159 |
498 |
|
|
4 |
E |
504 |
590 |
1.171 |
159 |
499 |
|
|
5 |
E |
297 |
333 |
1.123 |
159 |
500 |
|
|
6 |
E |
173 |
187 |
1.079 |
159 |
501 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
383 |
424 |
1.107 |
160 |
502 |
|
|
2 |
E |
143 |
150 |
1.046 |
160 |
503 |
|
|
3 |
T2 |
568 |
621 |
1.093 |
160 |
504 |
|
|
4 |
T2 |
213 |
221 |
1.036 |
160 |
505 |
C2H4 |
Ethylene |
1 |
Ag |
3056 |
3026 |
0.990 |
161 |
506 |
|
|
2 |
Ag |
1645 |
1623 |
0.986 |
161 |
507 |
|
|
3 |
Ag |
1350 |
1342 |
0.994 |
161 |
508 |
|
|
4 |
Au |
1037 |
1023 |
0.986 |
161 |
509 |
|
|
5 |
B1u |
3042 |
2989 |
0.982 |
161 |
510 |
|
|
6 |
B1u |
1446 |
1444 |
0.998 |
161 |
511 |
|
|
7 |
B2g |
909 |
940 |
1.034 |
161 |
512 |
|
|
8 |
B2u |
3138 |
3105 |
0.990 |
161 |
513 |
|
|
9 |
B2u |
821 |
826 |
1.006 |
161 |
514 |
|
|
10 |
B3g |
3108 |
3086 |
0.993 |
161 |
515 |
|
|
11 |
B3g |
1217 |
1217 |
1.000 |
161 |
516 |
|
|
12 |
B3u |
931 |
949 |
1.019 |
161 |
517 |
C3H3 |
Propargyl radical |
1 |
A1 |
3383 |
3322 |
0.982 |
162 |
518 |
|
|
6 |
B1 |
649 |
687 |
1.059 |
162 |
519 |
|
|
7 |
B1 |
399 |
490 |
1.228 |
162 |
520 |
N2H4 |
Hydrazine |
1 |
A |
3418 |
3398 |
0.994 |
163 |
521 |
|
|
2 |
A |
3310 |
3329 |
1.006 |
163 |
522 |
|
|
3 |
A |
1699 |
1642 |
0.966 |
163 |
523 |
|
|
4 |
A |
1325 |
1275 |
0.962 |
163 |
524 |
|
|
5 |
A |
1098 |
1076 |
0.980 |
163 |
525 |
|
|
6 |
A |
781 |
780 |
0.999 |
163 |
526 |
|
|
7 |
A |
423 |
377 |
0.891 |
163 |
527 |
|
|
8 |
B |
3428 |
3350 |
0.977 |
163 |
528 |
|
|
9 |
B |
3290 |
3314 |
1.007 |
163 |
529 |
|
|
10 |
B |
1684 |
1628 |
0.967 |
163 |
530 |
|
|
11 |
B |
1286 |
1275 |
0.992 |
163 |
531 |
|
|
12 |
B |
1022 |
966 |
0.945 |
163 |
532 |
CH3CN |
Acetonitrile |
1 |
A1 |
2973 |
2954 |
0.994 |
164 |
533 |
|
|
2 |
A1 |
2271 |
2267 |
0.998 |
164 |
534 |
|
|
3 |
A1 |
1391 |
1385 |
0.996 |
164 |
535 |
|
|
4 |
A1 |
901 |
920 |
1.021 |
164 |
536 |
|
|
5 |
E |
3034 |
3009 |
0.992 |
164 |
537 |
|
|
6 |
E |
1456 |
1448 |
0.994 |
164 |
538 |
|
|
7 |
E |
1045 |
1041 |
0.996 |
164 |
539 |
|
|
8 |
E |
374 |
362 |
0.968 |
164 |
540 |
CH3OH |
Methyl alcohol |
1 |
A' |
3626 |
3681 |
1.015 |
165 |
541 |
|
|
2 |
A' |
3032 |
3000 |
0.990 |
165 |
542 |
|
|
3 |
A' |
2890 |
2844 |
0.984 |
165 |
543 |
|
|
4 |
A' |
1487 |
1477 |
0.993 |
165 |
544 |
|
|
5 |
A' |
1460 |
1455 |
0.996 |
165 |
545 |
|
|
6 |
A' |
1362 |
1345 |
0.987 |
165 |
546 |
|
|
7 |
A' |
1059 |
1060 |
1.001 |
165 |
547 |
|
|
8 |
A' |
998 |
1033 |
1.036 |
165 |
548 |
|
|
9 |
A" |
2923 |
2960 |
1.013 |
165 |
549 |
|
|
10 |
A" |
1470 |
1477 |
1.005 |
165 |
550 |
|
|
11 |
A" |
1137 |
1165 |
1.025 |
165 |
551 |
|
|
12 |
A" |
350 |
200 |
0.571 |
165 |
552 |
C2H2O2 |
Ethanedial |
1 |
Ag |
2822 |
2843 |
1.007 |
166 |
553 |
|
|
2 |
Ag |
1717 |
1745 |
1.016 |
166 |
554 |
|
|
3 |
Ag |
1344 |
1338 |
0.996 |
166 |
555 |
|
|
4 |
Ag |
1003 |
1065 |
1.061 |
166 |
556 |
|
|
5 |
Ag |
524 |
551 |
1.051 |
166 |
557 |
|
|
6 |
Au |
780 |
801 |
1.027 |
166 |
558 |
|
|
7 |
Au |
132 |
127 |
0.965 |
166 |
559 |
|
|
8 |
Bg |
1025 |
1048 |
1.022 |
166 |
560 |
|
|
9 |
Bu |
2813 |
2835 |
1.008 |
166 |
561 |
|
|
10 |
Bu |
1723 |
1732 |
1.005 |
166 |
562 |
|
|
11 |
Bu |
1296 |
1312 |
1.012 |
166 |
563 |
|
|
12 |
Bu |
324 |
339 |
1.047 |
166 |
564 |
CH3SH |
Methanethiol |
1 |
A' |
3064 |
3000 |
0.979 |
167 |
565 |
|
|
2 |
A' |
2982 |
2931 |
0.983 |
167 |
566 |
|
|
3 |
A' |
2514 |
2597 |
1.033 |
167 |
567 |
|
|
4 |
A' |
1467 |
1475 |
1.005 |
167 |
568 |
|
|
5 |
A' |
1345 |
1335 |
0.993 |
167 |
569 |
|
|
6 |
A' |
1077 |
1074 |
0.997 |
167 |
570 |
|
|
7 |
A' |
779 |
803 |
1.031 |
167 |
571 |
|
|
8 |
A' |
652 |
708 |
1.085 |
167 |
572 |
|
|
9 |
A" |
3060 |
3000 |
0.980 |
167 |
573 |
|
|
10 |
A" |
1460 |
1430 |
0.980 |
167 |
574 |
|
|
11 |
A" |
959 |
976 |
1.017 |
167 |
575 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3172 |
3115 |
0.982 |
168 |
576 |
|
|
2 |
A' |
3108 |
3080 |
0.991 |
168 |
577 |
|
|
3 |
A' |
3082 |
3052 |
0.990 |
168 |
578 |
|
|
4 |
A' |
1653 |
1654 |
1.001 |
168 |
579 |
|
|
5 |
A' |
1384 |
1380 |
0.997 |
168 |
580 |
|
|
6 |
A' |
1299 |
1306 |
1.005 |
168 |
581 |
|
|
7 |
A' |
1126 |
1156 |
1.027 |
168 |
582 |
|
|
8 |
A' |
905 |
929 |
1.026 |
168 |
583 |
|
|
9 |
A' |
472 |
483 |
1.024 |
168 |
584 |
|
|
10 |
A" |
926 |
940 |
1.015 |
168 |
585 |
|
|
11 |
A" |
824 |
863 |
1.048 |
168 |
586 |
|
|
12 |
A" |
704 |
711 |
1.010 |
168 |
587 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3113 |
3070 |
0.986 |
169 |
588 |
|
|
2 |
A1 |
1706 |
1728 |
1.013 |
169 |
589 |
|
|
3 |
A1 |
1384 |
1360 |
0.983 |
169 |
590 |
|
|
4 |
A1 |
890 |
926 |
1.040 |
169 |
591 |
|
|
5 |
A1 |
525 |
550 |
1.047 |
169 |
592 |
|
|
6 |
A2 |
698 |
714 |
1.024 |
169 |
593 |
|
|
7 |
B1 |
768 |
803 |
1.045 |
169 |
594 |
|
|
8 |
B1 |
599 |
611 |
1.019 |
169 |
595 |
|
|
9 |
B2 |
3207 |
3154 |
0.984 |
169 |
596 |
|
|
10 |
B2 |
1241 |
1302 |
1.049 |
169 |
597 |
|
|
11 |
B2 |
932 |
955 |
1.025 |
169 |
598 |
|
|
12 |
B2 |
426 |
438 |
1.027 |
169 |
599 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3567 |
3602 |
1.010 |
170 |
600 |
|
|
2 |
A |
1366 |
1486 |
1.088 |
170 |
601 |
|
|
3 |
A |
1144 |
1243 |
1.087 |
170 |
602 |
|
|
4 |
A |
1115 |
1150 |
1.031 |
170 |
603 |
|
|
5 |
A |
752 |
896 |
1.192 |
170 |
604 |
|
|
6 |
A |
678 |
823 |
1.213 |
170 |
605 |
|
|
7 |
A |
474 |
562 |
1.186 |
170 |
606 |
|
|
8 |
A |
455 |
551 |
1.211 |
170 |
607 |
|
|
9 |
A |
449 |
518 |
1.153 |
170 |
608 |
|
|
10 |
A |
378 |
409 |
1.081 |
170 |
609 |
|
|
11 |
A |
325 |
390 |
1.202 |
170 |
610 |
|
|
12 |
A |
257 |
266 |
1.033 |
170 |
611 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3158 |
3121 |
0.988 |
171 |
612 |
|
|
2 |
A' |
3127 |
3086 |
0.987 |
171 |
613 |
|
|
3 |
A' |
3069 |
3030 |
0.987 |
171 |
614 |
|
|
4 |
A' |
1613 |
1608 |
0.997 |
171 |
615 |
|
|
5 |
A' |
1375 |
1368 |
0.995 |
171 |
616 |
|
|
6 |
A' |
1279 |
1279 |
1.000 |
171 |
617 |
|
|
7 |
A' |
1018 |
1030 |
1.012 |
171 |
618 |
|
|
8 |
A' |
660 |
720 |
1.090 |
171 |
619 |
|
|
9 |
A' |
389 |
395 |
1.016 |
171 |
620 |
|
|
10 |
A" |
936 |
941 |
1.005 |
171 |
621 |
|
|
11 |
A" |
863 |
896 |
1.038 |
171 |
622 |
|
|
12 |
A" |
608 |
620 |
1.019 |
171 |
623 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3088 |
3035 |
0.983 |
172 |
624 |
|
|
2 |
A1 |
1603 |
1627 |
1.015 |
172 |
625 |
|
|
3 |
A1 |
1375 |
1400 |
1.018 |
172 |
626 |
|
|
4 |
A1 |
561 |
603 |
1.076 |
172 |
627 |
|
|
5 |
A1 |
290 |
299 |
1.031 |
172 |
628 |
|
|
6 |
A2 |
663 |
686 |
1.034 |
172 |
629 |
|
|
7 |
B1 |
834 |
875 |
1.050 |
172 |
630 |
|
|
8 |
B1 |
449 |
460 |
1.024 |
172 |
631 |
|
|
9 |
B2 |
3178 |
3130 |
0.985 |
172 |
632 |
|
|
10 |
B2 |
1060 |
1095 |
1.033 |
172 |
633 |
|
|
11 |
B2 |
705 |
800 |
1.134 |
172 |
634 |
|
|
12 |
B2 |
371 |
372 |
1.004 |
172 |
635 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3141 |
3077 |
0.980 |
173 |
636 |
|
|
2 |
A1 |
1587 |
1587 |
1.000 |
173 |
637 |
|
|
3 |
A1 |
1193 |
1179 |
0.988 |
173 |
638 |
|
|
4 |
A1 |
663 |
711 |
1.073 |
173 |
639 |
|
|
5 |
A1 |
162 |
173 |
1.066 |
173 |
640 |
|
|
6 |
A2 |
842 |
876 |
1.041 |
173 |
641 |
|
|
7 |
A2 |
400 |
406 |
1.014 |
173 |
642 |
|
|
8 |
B1 |
676 |
697 |
1.031 |
173 |
643 |
|
|
9 |
B2 |
3120 |
3072 |
0.985 |
173 |
644 |
|
|
10 |
B2 |
1288 |
1303 |
1.012 |
173 |
645 |
|
|
11 |
B2 |
805 |
857 |
1.065 |
173 |
646 |
|
|
12 |
B2 |
548 |
571 |
1.042 |
173 |
647 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3145 |
3073 |
0.977 |
174 |
648 |
|
|
2 |
Ag |
1582 |
1578 |
0.997 |
174 |
649 |
|
|
3 |
Ag |
1276 |
1274 |
0.998 |
174 |
650 |
|
|
4 |
Ag |
802 |
846 |
1.055 |
174 |
651 |
|
|
5 |
Ag |
333 |
350 |
1.050 |
174 |
652 |
|
|
6 |
Au |
886 |
900 |
1.015 |
174 |
653 |
|
|
7 |
Au |
202 |
227 |
1.124 |
174 |
654 |
|
|
8 |
Bg |
730 |
763 |
1.045 |
174 |
655 |
|
|
9 |
Bu |
3143 |
3090 |
0.983 |
174 |
656 |
|
|
10 |
Bu |
1199 |
1200 |
1.001 |
174 |
657 |
|
|
11 |
Bu |
755 |
828 |
1.097 |
174 |
658 |
|
|
12 |
Bu |
230 |
250 |
1.085 |
174 |
659 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3150 |
3082 |
0.979 |
175 |
660 |
|
|
2 |
A' |
1572 |
1586 |
1.009 |
175 |
661 |
|
|
3 |
A' |
1247 |
1247 |
1.000 |
175 |
662 |
|
|
4 |
A' |
852 |
931 |
1.093 |
175 |
663 |
|
|
5 |
A' |
773 |
840 |
1.087 |
175 |
664 |
|
|
6 |
A' |
592 |
630 |
1.065 |
175 |
665 |
|
|
7 |
A' |
366 |
384 |
1.050 |
175 |
666 |
|
|
8 |
A' |
269 |
277 |
1.030 |
175 |
667 |
|
|
9 |
A' |
168 |
178 |
1.060 |
175 |
668 |
|
|
10 |
A" |
752 |
780 |
1.037 |
175 |
669 |
|
|
11 |
A" |
444 |
451 |
1.016 |
175 |
670 |
|
|
12 |
A" |
193 |
215 |
1.114 |
175 |
671 |
CH3CCH |
propyne |
1 |
A1 |
3389 |
3334 |
0.984 |
176 |
672 |
|
|
2 |
A1 |
2949 |
2918 |
0.989 |
176 |
673 |
|
|
3 |
A1 |
2159 |
2124 |
0.984 |
176 |
674 |
|
|
4 |
A1 |
1397 |
1382 |
0.989 |
176 |
675 |
|
|
5 |
A1 |
918 |
931 |
1.014 |
176 |
676 |
|
|
6 |
E |
2998 |
3008 |
1.003 |
176 |
677 |
|
|
7 |
E |
1461 |
1452 |
0.994 |
176 |
678 |
|
|
8 |
E |
1038 |
1053 |
1.014 |
176 |
679 |
|
|
9 |
E |
559 |
633 |
1.132 |
176 |
680 |
|
|
10 |
E |
302 |
328 |
1.087 |
176 |
681 |
C3H4 |
cyclopropene |
1 |
A1 |
3192 |
3158 |
0.989 |
177 |
682 |
|
|
2 |
A1 |
2950 |
2909 |
0.986 |
177 |
683 |
|
|
3 |
A1 |
1678 |
1653 |
0.985 |
177 |
684 |
|
|
4 |
A1 |
1493 |
1483 |
0.994 |
177 |
685 |
|
|
5 |
A1 |
1113 |
1110 |
0.997 |
177 |
686 |
|
|
6 |
A1 |
889 |
905 |
1.018 |
177 |
687 |
|
|
7 |
A2 |
989 |
996 |
1.007 |
177 |
688 |
|
|
8 |
A2 |
806 |
820 |
1.018 |
177 |
689 |
|
|
9 |
B1 |
3009 |
2995 |
0.995 |
177 |
690 |
|
|
10 |
B1 |
1088 |
1088 |
1.000 |
177 |
691 |
|
|
11 |
B1 |
558 |
569 |
1.020 |
177 |
692 |
|
|
12 |
B2 |
3147 |
3124 |
0.993 |
177 |
693 |
|
|
13 |
B2 |
1024 |
1043 |
1.018 |
177 |
694 |
|
|
14 |
B2 |
986 |
1011 |
1.026 |
177 |
695 |
|
|
15 |
B2 |
742 |
769 |
1.037 |
177 |
696 |
CH3NH2 |
methyl amine |
1 |
A' |
3359 |
3361 |
1.000 |
178 |
697 |
|
|
2 |
A' |
2978 |
2961 |
0.994 |
178 |
698 |
|
|
3 |
A' |
2859 |
2820 |
0.986 |
178 |
699 |
|
|
4 |
A' |
1679 |
1623 |
0.967 |
178 |
700 |
|
|
5 |
A' |
1476 |
1473 |
0.998 |
178 |
701 |
|
|
6 |
A' |
1434 |
1430 |
0.997 |
178 |
702 |
|
|
7 |
A' |
1153 |
1130 |
0.980 |
178 |
703 |
|
|
8 |
A' |
1013 |
1044 |
1.031 |
178 |
704 |
|
|
9 |
A' |
852 |
780 |
0.916 |
178 |
705 |
|
|
10 |
A" |
3432 |
3427 |
0.998 |
178 |
706 |
|
|
11 |
A" |
3013 |
2985 |
0.991 |
178 |
707 |
|
|
12 |
A" |
1499 |
1485 |
0.991 |
178 |
708 |
|
|
13 |
A" |
1336 |
1335 |
0.999 |
178 |
709 |
|
|
14 |
A" |
966 |
|
|
178 |
710 |
|
|
15 |
A" |
324 |
268 |
0.828 |
178 |
711 |
C3H3N |
acrylonitrile |
1 |
A' |
3165 |
3125 |
0.987 |
179 |
712 |
|
|
2 |
A' |
3081 |
3078 |
0.999 |
179 |
713 |
|
|
3 |
A' |
3075 |
3042 |
0.989 |
179 |
714 |
|
|
4 |
A' |
2234 |
2239 |
1.002 |
179 |
715 |
|
|
5 |
A' |
1618 |
1615 |
0.998 |
179 |
716 |
|
|
6 |
A' |
1417 |
1416 |
0.999 |
179 |
717 |
|
|
7 |
A' |
1294 |
1282 |
0.991 |
179 |
718 |
|
|
8 |
A' |
1090 |
1096 |
1.006 |
179 |
719 |
|
|
9 |
A' |
862 |
869 |
1.009 |
179 |
720 |
|
|
10 |
A' |
568 |
570 |
1.004 |
179 |
721 |
|
|
11 |
A' |
233 |
242 |
1.038 |
179 |
722 |
|
|
12 |
A" |
970 |
972 |
1.002 |
179 |
723 |
|
|
13 |
A" |
930 |
954 |
1.026 |
179 |
724 |
|
|
14 |
A" |
689 |
683 |
0.991 |
179 |
725 |
|
|
15 |
A" |
343 |
362 |
1.056 |
179 |
726 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3537 |
3447 |
0.975 |
180 |
727 |
|
|
2 |
A' |
3195 |
3102 |
0.971 |
180 |
728 |
|
|
3 |
A' |
1441 |
1441 |
1.000 |
180 |
729 |
|
|
4 |
A' |
1388 |
1384 |
0.997 |
180 |
730 |
|
|
5 |
A' |
1208 |
1259 |
1.042 |
180 |
731 |
|
|
6 |
A' |
1192 |
1159 |
0.973 |
180 |
732 |
|
|
7 |
A' |
1100 |
1084 |
0.986 |
180 |
733 |
|
|
8 |
A' |
1010 |
1015 |
1.005 |
180 |
734 |
|
|
9 |
A' |
970 |
1002 |
1.033 |
180 |
735 |
|
|
10 |
A' |
926 |
969 |
1.046 |
180 |
736 |
|
|
11 |
A' |
873 |
925 |
1.059 |
180 |
737 |
|
|
12 |
A" |
803 |
906 |
1.128 |
180 |
738 |
|
|
13 |
A" |
706 |
663 |
0.940 |
180 |
739 |
|
|
14 |
A" |
667 |
658 |
0.986 |
180 |
740 |
|
|
15 |
A" |
548 |
578 |
1.055 |
180 |
741 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3057 |
3014 |
0.986 |
181 |
742 |
|
|
2 |
A' |
2946 |
2923 |
0.992 |
181 |
743 |
|
|
3 |
A' |
2748 |
2716 |
0.989 |
181 |
744 |
|
|
4 |
A' |
1746 |
1743 |
0.998 |
181 |
745 |
|
|
5 |
A' |
1441 |
1433 |
0.994 |
181 |
746 |
|
|
6 |
A' |
1392 |
1395 |
1.002 |
181 |
747 |
|
|
7 |
A' |
1348 |
1352 |
1.003 |
181 |
748 |
|
|
8 |
A' |
1095 |
1114 |
1.017 |
181 |
749 |
|
|
9 |
A' |
849 |
867 |
1.021 |
181 |
750 |
|
|
10 |
A' |
494 |
509 |
1.030 |
181 |
751 |
|
|
11 |
A" |
2992 |
2964 |
0.991 |
181 |
752 |
|
|
12 |
A" |
1448 |
1431 |
0.988 |
181 |
753 |
|
|
13 |
A" |
1099 |
1102 |
1.003 |
181 |
754 |
|
|
14 |
A" |
752 |
764 |
1.016 |
181 |
755 |
|
|
15 |
A" |
156 |
150 |
0.959 |
181 |
756 |
C2H4O |
Ethylene oxide |
1 |
A1 |
2996 |
3006 |
1.003 |
182 |
757 |
|
|
2 |
A1 |
1505 |
1467 |
0.974 |
182 |
758 |
|
|
3 |
A1 |
1250 |
1267 |
1.013 |
182 |
759 |
|
|
4 |
A1 |
1099 |
1146 |
1.043 |
182 |
760 |
|
|
5 |
A1 |
846 |
857 |
1.013 |
182 |
761 |
|
|
6 |
A2 |
3064 |
3063 |
1.000 |
182 |
762 |
|
|
7 |
A2 |
1151 |
1050 |
0.912 |
182 |
763 |
|
|
8 |
A2 |
1007 |
1020 |
1.013 |
182 |
764 |
|
|
9 |
B1 |
3081 |
3065 |
0.995 |
182 |
765 |
|
|
10 |
B1 |
1132 |
1146 |
1.013 |
182 |
766 |
|
|
11 |
B1 |
799 |
797 |
0.998 |
182 |
767 |
|
|
12 |
B2 |
2990 |
3006 |
1.005 |
182 |
768 |
|
|
13 |
B2 |
1477 |
1459 |
0.988 |
182 |
769 |
|
|
14 |
B2 |
1091 |
1159 |
1.063 |
182 |
770 |
|
|
15 |
B2 |
778 |
824 |
1.060 |
182 |
771 |
H2SO4 |
Sulfuric acid |
1 |
A |
3577 |
3563 |
0.996 |
183 |
772 |
|
|
2 |
A |
1139 |
1216 |
1.068 |
183 |
773 |
|
|
3 |
A |
1097 |
1136 |
1.036 |
183 |
774 |
|
|
4 |
A |
682 |
831 |
1.219 |
183 |
775 |
|
|
5 |
A |
470 |
548 |
1.167 |
183 |
776 |
|
|
6 |
A |
412 |
422 |
1.023 |
183 |
777 |
|
|
7 |
A |
336 |
379 |
1.128 |
183 |
778 |
|
|
8 |
A |
251 |
224 |
0.893 |
183 |
779 |
|
|
9 |
B |
3574 |
3567 |
0.998 |
183 |
780 |
|
|
10 |
B |
1359 |
1452 |
1.069 |
183 |
781 |
|
|
11 |
B |
1133 |
1157 |
1.021 |
183 |
782 |
|
|
12 |
B |
745 |
882 |
1.183 |
183 |
783 |
|
|
13 |
B |
475 |
558 |
1.174 |
183 |
784 |
|
|
14 |
B |
438 |
506 |
1.155 |
183 |
785 |
|
|
15 |
B |
310 |
288 |
0.927 |
183 |
786 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3082 |
3043 |
0.987 |
184 |
787 |
|
|
2 |
A' |
2982 |
2955 |
0.991 |
184 |
788 |
|
|
3 |
A' |
1846 |
1870 |
1.013 |
184 |
789 |
|
|
4 |
A' |
1453 |
1440 |
0.991 |
184 |
790 |
|
|
5 |
A' |
1374 |
1378 |
1.003 |
184 |
791 |
|
|
6 |
A' |
1145 |
1188 |
1.037 |
184 |
792 |
|
|
7 |
A' |
967 |
1000 |
1.035 |
184 |
793 |
|
|
8 |
A' |
775 |
826 |
1.066 |
184 |
794 |
|
|
9 |
A' |
570 |
598 |
1.050 |
184 |
795 |
|
|
10 |
A' |
398 |
420 |
1.056 |
184 |
796 |
|
|
11 |
A" |
3034 |
3004 |
0.990 |
184 |
797 |
|
|
12 |
A" |
1454 |
1437 |
0.988 |
184 |
798 |
|
|
13 |
A" |
1045 |
1054 |
1.008 |
184 |
799 |
|
|
14 |
A" |
548 |
567 |
1.036 |
184 |
800 |
|
|
15 |
A" |
138 |
123 |
0.894 |
184 |
801 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
623 |
774 |
1.241 |
185 |
802 |
|
|
2 |
Eg |
549 |
642 |
1.169 |
185 |
803 |
|
|
3 |
T1u |
816 |
948 |
1.162 |
185 |
804 |
|
|
4 |
T1u |
513 |
616 |
1.199 |
185 |
805 |
|
|
5 |
T2g |
434 |
525 |
1.209 |
185 |
806 |
|
|
6 |
T2u |
289 |
347 |
1.200 |
185 |
807 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3070 |
3027 |
0.986 |
186 |
808 |
|
|
2 |
A' |
2983 |
2948 |
0.988 |
186 |
809 |
|
|
3 |
A' |
1847 |
1818 |
0.984 |
186 |
810 |
|
|
4 |
A' |
1446 |
1415 |
0.979 |
186 |
811 |
|
|
5 |
A' |
1364 |
1368 |
1.003 |
186 |
812 |
|
|
6 |
A' |
1080 |
1108 |
1.026 |
186 |
813 |
|
|
7 |
A' |
916 |
956 |
1.044 |
186 |
814 |
|
|
8 |
A' |
561 |
604 |
1.077 |
186 |
815 |
|
|
9 |
A' |
381 |
445 |
1.167 |
186 |
816 |
|
|
10 |
A' |
324 |
348 |
1.075 |
186 |
817 |
|
|
11 |
A" |
3047 |
2990 |
0.981 |
186 |
818 |
|
|
12 |
A" |
1444 |
1431 |
0.991 |
186 |
819 |
|
|
13 |
A" |
1026 |
1032 |
1.005 |
186 |
820 |
|
|
14 |
A" |
494 |
518 |
1.048 |
186 |
821 |
|
|
15 |
A" |
135 |
166 |
1.231 |
186 |
822 |
C2H6 |
Ethane |
1 |
A1g |
2954 |
2954 |
1.000 |
187 |
823 |
|
|
2 |
A1g |
1398 |
1388 |
0.993 |
187 |
824 |
|
|
3 |
A1g |
966 |
995 |
1.030 |
187 |
825 |
|
|
4 |
A1u |
299 |
289 |
0.965 |
187 |
826 |
|
|
5 |
A2u |
2955 |
2896 |
0.980 |
187 |
827 |
|
|
6 |
A2u |
1388 |
1379 |
0.993 |
187 |
828 |
|
|
7 |
Eg |
2993 |
2969 |
0.992 |
187 |
829 |
|
|
8 |
Eg |
1487 |
1468 |
0.987 |
187 |
830 |
|
|
9 |
Eg |
1195 |
1190 |
0.996 |
187 |
831 |
|
|
10 |
Eu |
3020 |
2985 |
0.989 |
187 |
832 |
|
|
11 |
Eu |
1490 |
1469 |
0.986 |
187 |
833 |
|
|
12 |
Eu |
813 |
822 |
1.011 |
187 |
834 |
CH3SiH3 |
methyl silane |
1 |
A1 |
2960 |
2898 |
0.979 |
188 |
835 |
|
|
2 |
A1 |
2159 |
2166 |
1.003 |
188 |
836 |
|
|
3 |
A1 |
1292 |
1260 |
0.975 |
188 |
837 |
|
|
4 |
A1 |
923 |
940 |
1.018 |
188 |
838 |
|
|
5 |
A1 |
669 |
700 |
1.047 |
188 |
839 |
|
|
6 |
A2 |
186 |
187 |
1.005 |
188 |
840 |
|
|
7 |
E |
3025 |
2982 |
0.986 |
188 |
841 |
|
|
8 |
E |
2161 |
2169 |
1.004 |
188 |
842 |
|
|
9 |
E |
1455 |
1403 |
0.964 |
188 |
843 |
|
|
10 |
E |
939 |
980 |
1.043 |
188 |
844 |
|
|
11 |
E |
883 |
868 |
0.984 |
188 |
845 |
|
|
12 |
E |
515 |
540 |
1.048 |
188 |
846 |
Si2H6 |
disilane |
1 |
A1g |
2155 |
2152 |
0.998 |
189 |
847 |
|
|
2 |
A1g |
903 |
909 |
1.006 |
189 |
848 |
|
|
3 |
A1g |
407 |
434 |
1.068 |
189 |
849 |
|
|
4 |
A1u |
134 |
131 |
0.976 |
189 |
850 |
|
|
5 |
A2u |
2147 |
2154 |
1.004 |
189 |
851 |
|
|
6 |
A2u |
832 |
844 |
1.014 |
189 |
852 |
|
|
7 |
Eg |
2157 |
2155 |
0.999 |
189 |
853 |
|
|
8 |
Eg |
920 |
929 |
1.010 |
189 |
854 |
|
|
9 |
Eg |
619 |
625 |
1.011 |
189 |
855 |
|
|
10 |
Eu |
2167 |
2179 |
1.005 |
189 |
856 |
|
|
11 |
Eu |
935 |
940 |
1.005 |
189 |
857 |
|
|
12 |
Eu |
371 |
379 |
1.023 |
189 |
858 |
C2H5N |
Aziridine |
1 |
A' |
3354 |
3338 |
0.995 |
190 |
859 |
|
|
2 |
A' |
3105 |
3079 |
0.992 |
190 |
860 |
|
|
3 |
A' |
3021 |
3015 |
0.998 |
190 |
861 |
|
|
4 |
A' |
1494 |
1482 |
0.992 |
190 |
862 |
|
|
5 |
A' |
1281 |
1237 |
0.966 |
190 |
863 |
|
|
6 |
A' |
1194 |
1211 |
1.014 |
190 |
864 |
|
|
7 |
A' |
1077 |
1090 |
1.012 |
190 |
865 |
|
|
8 |
A' |
985 |
998 |
1.014 |
190 |
866 |
|
|
9 |
A' |
835 |
856 |
1.025 |
190 |
867 |
|
|
10 |
A' |
748 |
773 |
1.033 |
190 |
868 |
|
|
11 |
A" |
3091 |
3079 |
0.996 |
190 |
869 |
|
|
12 |
A" |
3016 |
3015 |
1.000 |
190 |
870 |
|
|
13 |
A" |
1472 |
1463 |
0.994 |
190 |
871 |
|
|
14 |
A" |
1250 |
1268 |
1.014 |
190 |
872 |
|
|
15 |
A" |
1123 |
1131 |
1.007 |
190 |
873 |
|
|
16 |
A" |
1062 |
1095 |
1.031 |
190 |
874 |
|
|
17 |
A" |
896 |
904 |
1.009 |
190 |
875 |
|
|
18 |
A" |
800 |
817 |
1.022 |
190 |
876 |
CH3OCHO |
methyl formate |
1 |
A' |
3090 |
3045 |
0.985 |
191 |
877 |
|
|
2 |
A' |
2982 |
2969 |
0.996 |
191 |
878 |
|
|
3 |
A' |
2940 |
2943 |
1.001 |
191 |
879 |
|
|
4 |
A' |
1733 |
1754 |
1.012 |
191 |
880 |
|
|
5 |
A' |
1475 |
1454 |
0.986 |
191 |
881 |
|
|
6 |
A' |
1433 |
1445 |
1.008 |
191 |
882 |
|
|
7 |
A' |
1358 |
1371 |
1.010 |
191 |
883 |
|
|
8 |
A' |
1178 |
1207 |
1.024 |
191 |
884 |
|
|
9 |
A' |
1111 |
1166 |
1.049 |
191 |
885 |
|
|
10 |
A' |
872 |
925 |
1.061 |
191 |
886 |
|
|
11 |
A' |
748 |
767 |
1.025 |
191 |
887 |
|
|
12 |
A' |
287 |
318 |
1.107 |
191 |
888 |
|
|
13 |
A" |
3050 |
3012 |
0.987 |
191 |
889 |
|
|
14 |
A" |
1462 |
1443 |
0.987 |
191 |
890 |
|
|
15 |
A" |
1140 |
1168 |
1.024 |
191 |
891 |
|
|
16 |
A" |
978 |
1032 |
1.055 |
191 |
892 |
|
|
17 |
A" |
343 |
332 |
0.969 |
191 |
893 |
|
|
18 |
A" |
101 |
130 |
1.289 |
191 |
894 |
C3H3NO |
Isoxazole |
1 |
A' |
3194 |
3160 |
0.989 |
192 |
895 |
|
|
2 |
A' |
3173 |
3128 |
0.986 |
192 |
896 |
|
|
3 |
A' |
3148 |
3086 |
0.980 |
192 |
897 |
|
|
4 |
A' |
1535 |
1561 |
1.017 |
192 |
898 |
|
|
5 |
A' |
1403 |
1433 |
1.021 |
192 |
899 |
|
|
6 |
A' |
1350 |
1371 |
1.015 |
192 |
900 |
|
|
7 |
A' |
1200 |
1218 |
1.015 |
192 |
901 |
|
|
8 |
A' |
1106 |
1130 |
1.021 |
192 |
902 |
|
|
9 |
A' |
1070 |
1096 |
1.024 |
192 |
903 |
|
|
10 |
A' |
1013 |
1024 |
1.012 |
192 |
904 |
|
|
11 |
A' |
906 |
920 |
1.015 |
192 |
905 |
|
|
12 |
A' |
883 |
900 |
1.019 |
192 |
906 |
|
|
13 |
A' |
763 |
857 |
1.124 |
192 |
907 |
|
|
14 |
A" |
852 |
890 |
1.045 |
192 |
908 |
|
|
15 |
A" |
811 |
866 |
1.068 |
192 |
909 |
|
|
16 |
A" |
745 |
765 |
1.027 |
192 |
910 |
|
|
17 |
A" |
619 |
631 |
1.019 |
192 |
911 |
|
|
18 |
A" |
584 |
592 |
1.012 |
192 |
912 |
C3H3NO |
Oxazole |
1 |
A' |
3213 |
3170 |
0.987 |
193 |
913 |
|
|
2 |
A' |
3195 |
3144 |
0.984 |
193 |
914 |
|
|
3 |
A' |
3173 |
3141 |
0.990 |
193 |
915 |
|
|
4 |
A' |
1509 |
1537 |
1.018 |
193 |
916 |
|
|
5 |
A' |
1465 |
1504 |
1.026 |
193 |
917 |
|
|
6 |
A' |
1303 |
1324 |
1.016 |
193 |
918 |
|
|
7 |
A' |
1235 |
1252 |
1.014 |
193 |
919 |
|
|
8 |
A' |
1116 |
1139 |
1.021 |
193 |
920 |
|
|
9 |
A' |
1073 |
1086 |
1.013 |
193 |
921 |
|
|
10 |
A' |
1026 |
1078 |
1.051 |
193 |
922 |
|
|
11 |
A' |
1019 |
1046 |
1.027 |
193 |
923 |
|
|
12 |
A' |
890 |
899 |
1.010 |
193 |
924 |
|
|
13 |
A' |
885 |
854 |
0.965 |
193 |
925 |
|
|
14 |
A" |
820 |
907 |
1.106 |
193 |
926 |
|
|
15 |
A" |
774 |
830 |
1.072 |
193 |
927 |
|
|
16 |
A" |
710 |
750 |
1.057 |
193 |
928 |
|
|
17 |
A" |
646 |
647 |
1.002 |
193 |
929 |
|
|
18 |
A" |
606 |
607 |
1.001 |
193 |
930 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
2996 |
2974 |
0.993 |
194 |
931 |
|
|
2 |
A1 |
1401 |
1412 |
1.008 |
194 |
932 |
|
|
3 |
A1 |
1223 |
1278 |
1.045 |
194 |
933 |
|
|
4 |
A1 |
782 |
828 |
1.059 |
194 |
934 |
|
|
5 |
A1 |
568 |
606 |
1.067 |
194 |
935 |
|
|
6 |
A2 |
235 |
225 |
0.956 |
194 |
936 |
|
|
7 |
E |
3070 |
3042 |
0.991 |
194 |
937 |
|
|
8 |
E |
1464 |
1450 |
0.990 |
194 |
938 |
|
|
9 |
E |
1178 |
1230 |
1.044 |
194 |
939 |
|
|
10 |
E |
922 |
964 |
1.046 |
194 |
940 |
|
|
11 |
E |
510 |
540 |
1.059 |
194 |
941 |
|
|
12 |
E |
348 |
365 |
1.049 |
194 |
942 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1304 |
1420 |
1.089 |
195 |
943 |
|
|
2 |
A1g |
753 |
809 |
1.075 |
195 |
944 |
|
|
3 |
A1g |
327 |
349 |
1.067 |
195 |
945 |
|
|
4 |
A1u |
50 |
68 |
1.358 |
195 |
946 |
|
|
5 |
A2u |
1047 |
1117 |
1.067 |
195 |
947 |
|
|
6 |
A2u |
669 |
714 |
1.067 |
195 |
948 |
|
|
7 |
Eg |
1132 |
1237 |
1.093 |
195 |
949 |
|
|
8 |
Eg |
576 |
620 |
1.076 |
195 |
950 |
|
|
9 |
Eg |
356 |
380 |
1.068 |
195 |
951 |
|
|
10 |
Eu |
1144 |
1251 |
1.093 |
195 |
952 |
|
|
11 |
Eu |
490 |
523 |
1.066 |
195 |
953 |
|
|
12 |
Eu |
205 |
216 |
1.052 |
195 |
954 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3023 |
2967 |
0.981 |
196 |
955 |
|
|
2 |
A' |
3009 |
2946 |
0.979 |
196 |
956 |
|
|
3 |
A' |
2957 |
2881 |
0.974 |
196 |
957 |
|
|
4 |
A' |
1483 |
1463 |
0.986 |
196 |
958 |
|
|
5 |
A' |
1466 |
1448 |
0.988 |
196 |
959 |
|
|
6 |
A' |
1392 |
1385 |
0.995 |
196 |
960 |
|
|
7 |
A' |
1294 |
1289 |
0.996 |
196 |
961 |
|
|
8 |
A' |
1061 |
1081 |
1.019 |
196 |
962 |
|
|
9 |
A' |
949 |
974 |
1.027 |
196 |
963 |
|
|
10 |
A' |
606 |
677 |
1.117 |
196 |
964 |
|
|
11 |
A' |
318 |
336 |
1.056 |
196 |
965 |
|
|
12 |
A" |
3072 |
3014 |
0.981 |
196 |
966 |
|
|
13 |
A" |
3037 |
2986 |
0.983 |
196 |
967 |
|
|
14 |
A" |
1465 |
1448 |
0.988 |
196 |
968 |
|
|
15 |
A" |
1252 |
1251 |
0.999 |
196 |
969 |
|
|
16 |
A" |
1056 |
974 |
0.922 |
196 |
970 |
|
|
17 |
A" |
778 |
786 |
1.010 |
196 |
971 |
|
|
18 |
A" |
256 |
251 |
0.981 |
196 |
972 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3029 |
2957 |
0.976 |
197 |
973 |
|
|
1 |
A |
3062 |
3005 |
0.982 |
197 |
974 |
|
|
2 |
A |
3008 |
2957 |
0.983 |
197 |
975 |
|
|
2 |
Ag |
1464 |
1445 |
0.987 |
197 |
976 |
|
|
3 |
Ag |
1307 |
1304 |
0.998 |
197 |
977 |
|
|
3 |
A |
1443 |
1433 |
0.993 |
197 |
978 |
|
|
4 |
A |
1317 |
1315 |
0.998 |
197 |
979 |
|
|
4 |
Ag |
1023 |
1052 |
1.028 |
197 |
980 |
|
|
5 |
Ag |
692 |
754 |
1.090 |
197 |
981 |
|
|
5 |
A |
1203 |
1207 |
1.003 |
197 |
982 |
|
|
6 |
A |
1014 |
1027 |
1.013 |
197 |
983 |
|
|
6 |
Ag |
281 |
300 |
1.068 |
197 |
984 |
|
|
7 |
Au |
3106 |
3005 |
0.967 |
197 |
985 |
|
|
7 |
A |
920 |
948 |
1.031 |
197 |
986 |
|
|
8 |
A |
608 |
669 |
1.100 |
197 |
987 |
|
|
8 |
Au |
1124 |
1123 |
0.999 |
197 |
988 |
|
|
9 |
Au |
767 |
773 |
1.008 |
197 |
989 |
|
|
9 |
A |
251 |
272 |
1.083 |
197 |
990 |
|
|
10 |
A |
108 |
125 |
1.158 |
197 |
991 |
|
|
10 |
Au |
113 |
123 |
1.084 |
197 |
992 |
|
|
11 |
Bg |
3082 |
3005 |
0.975 |
197 |
993 |
|
|
11 |
B |
3076 |
3005 |
0.977 |
197 |
994 |
|
|
12 |
B |
2999 |
2957 |
0.986 |
197 |
995 |
|
|
12 |
Bg |
1275 |
1264 |
0.992 |
197 |
996 |
|
|
13 |
Bg |
989 |
989 |
1.000 |
197 |
997 |
|
|
13 |
B |
1439 |
1436 |
0.998 |
197 |
998 |
|
|
14 |
B |
1297 |
1292 |
0.996 |
197 |
999 |
|
|
14 |
Bu |
3038 |
2983 |
0.982 |
197 |
1000 |
|
|
15 |
Bu |
1467 |
1461 |
0.996 |
197 |
1001 |
|
|
15 |
B |
1142 |
1146 |
1.003 |
197 |
1002 |
|
|
16 |
B |
871 |
890 |
1.022 |
197 |
1003 |
|
|
16 |
Bu |
1240 |
1232 |
0.993 |
197 |
1004 |
|
|
17 |
Bu |
647 |
728 |
1.124 |
197 |
1005 |
|
|
17 |
B |
629 |
693 |
1.101 |
197 |
1006 |
|
|
18 |
B |
393 |
410 |
1.044 |
197 |
1007 |
|
|
18 |
Bu |
204 |
222 |
1.090 |
197 |
1008 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
2988 |
2951 |
0.987 |
198 |
1009 |
|
|
2 |
A1 |
1395 |
1386 |
0.993 |
198 |
1010 |
|
|
3 |
A1 |
1026 |
1075 |
1.048 |
198 |
1011 |
|
|
4 |
A1 |
488 |
526 |
1.078 |
198 |
1012 |
|
|
5 |
A1 |
328 |
344 |
1.048 |
198 |
1013 |
|
|
6 |
A2 |
306 |
214 |
0.699 |
198 |
1014 |
|
|
7 |
E |
3063 |
3014 |
0.984 |
198 |
1015 |
|
|
8 |
E |
1458 |
1457 |
1.000 |
198 |
1016 |
|
|
9 |
E |
1078 |
1088 |
1.009 |
198 |
1017 |
|
|
10 |
E |
614 |
724 |
1.178 |
198 |
1018 |
|
|
11 |
E |
331 |
351 |
1.059 |
198 |
1019 |
|
|
12 |
E |
230 |
239 |
1.037 |
198 |
1020 |
C3H6 |
Cyclopropane |
1 |
A1' |
3048 |
3038 |
0.997 |
199 |
1021 |
|
|
2 |
A1' |
1487 |
1479 |
0.994 |
199 |
1022 |
|
|
3 |
A1' |
1176 |
1188 |
1.010 |
199 |
1023 |
|
|
4 |
A1" |
1124 |
1126 |
1.002 |
199 |
1024 |
|
|
5 |
A2' |
1041 |
1070 |
1.027 |
199 |
1025 |
|
|
6 |
A2" |
3135 |
3103 |
0.990 |
199 |
1026 |
|
|
7 |
A2" |
846 |
854 |
1.009 |
199 |
1027 |
|
|
8 |
E' |
3041 |
3025 |
0.995 |
199 |
1028 |
|
|
9 |
E' |
1448 |
1438 |
0.993 |
199 |
1029 |
|
|
10 |
E' |
1014 |
1029 |
1.015 |
199 |
1030 |
|
|
11 |
E' |
846 |
866 |
1.024 |
199 |
1031 |
|
|
12 |
E" |
3111 |
3082 |
0.991 |
199 |
1032 |
|
|
13 |
E" |
1188 |
1188 |
1.000 |
199 |
1033 |
|
|
14 |
E" |
728 |
739 |
1.016 |
199 |
1034 |
CH2CHCH3 |
Propene |
1 |
A' |
3122 |
3090 |
0.990 |
200 |
1035 |
|
|
2 |
A' |
3045 |
3013 |
0.990 |
200 |
1036 |
|
|
3 |
A' |
3037 |
2991 |
0.985 |
200 |
1037 |
|
|
4 |
A' |
3011 |
2954 |
0.981 |
200 |
1038 |
|
|
5 |
A' |
2938 |
2871 |
0.977 |
200 |
1039 |
|
|
6 |
A' |
1660 |
1650 |
0.994 |
200 |
1040 |
|
|
7 |
A' |
1477 |
1470 |
0.996 |
200 |
1041 |
|
|
8 |
A' |
1421 |
1420 |
0.999 |
200 |
1042 |
|
|
9 |
A' |
1387 |
1378 |
0.994 |
200 |
1043 |
|
|
10 |
A' |
1301 |
1297 |
0.997 |
200 |
1044 |
|
|
11 |
A' |
1165 |
1171 |
1.005 |
200 |
1045 |
|
|
12 |
A' |
933 |
963 |
1.032 |
200 |
1046 |
|
|
13 |
A' |
897 |
920 |
1.026 |
200 |
1047 |
|
|
14 |
A' |
418 |
428 |
1.025 |
200 |
1048 |
|
|
15 |
A" |
2973 |
2954 |
0.994 |
200 |
1049 |
|
|
16 |
A" |
1462 |
1443 |
0.987 |
200 |
1050 |
|
|
17 |
A" |
1044 |
1045 |
1.001 |
200 |
1051 |
|
|
18 |
A" |
994 |
991 |
0.997 |
200 |
1052 |
|
|
19 |
A" |
887 |
912 |
1.028 |
200 |
1053 |
|
|
20 |
A" |
569 |
578 |
1.015 |
200 |
1054 |
|
|
21 |
A" |
201 |
174 |
0.866 |
200 |
1055 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3564 |
3523 |
0.989 |
201 |
1056 |
|
|
2 |
A' |
3182 |
3155 |
0.992 |
201 |
1057 |
|
|
3 |
A' |
3165 |
3137 |
0.991 |
201 |
1058 |
|
|
4 |
A' |
3153 |
3126 |
0.992 |
201 |
1059 |
|
|
5 |
A' |
1514 |
1531 |
1.011 |
201 |
1060 |
|
|
6 |
A' |
1430 |
1447 |
1.012 |
201 |
1061 |
|
|
7 |
A' |
1377 |
1395 |
1.013 |
201 |
1062 |
|
|
8 |
A' |
1330 |
1358 |
1.021 |
201 |
1063 |
|
|
9 |
A' |
1230 |
1254 |
1.020 |
201 |
1064 |
|
|
10 |
A' |
1129 |
1159 |
1.027 |
201 |
1065 |
|
|
11 |
A' |
1105 |
1121 |
1.014 |
201 |
1066 |
|
|
12 |
A' |
1026 |
1054 |
1.028 |
201 |
1067 |
|
|
13 |
A' |
1000 |
1009 |
1.009 |
201 |
1068 |
|
|
14 |
A' |
912 |
924 |
1.013 |
201 |
1069 |
|
|
15 |
A' |
899 |
908 |
1.010 |
201 |
1070 |
|
|
16 |
A" |
837 |
879 |
1.050 |
201 |
1071 |
|
|
17 |
A" |
785 |
833 |
1.061 |
201 |
1072 |
|
|
18 |
A" |
707 |
745 |
1.053 |
201 |
1073 |
|
|
19 |
A" |
668 |
674 |
1.008 |
201 |
1074 |
|
|
20 |
A" |
617 |
623 |
1.009 |
201 |
1075 |
|
|
21 |
A" |
467 |
516 |
1.104 |
201 |
1076 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3533 |
3517 |
0.995 |
202 |
1077 |
|
|
2 |
A' |
3185 |
3143 |
0.987 |
202 |
1078 |
|
|
3 |
A' |
3162 |
3123 |
0.988 |
202 |
1079 |
|
|
4 |
A' |
3155 |
3110 |
0.986 |
202 |
1080 |
|
|
5 |
A' |
1502 |
1448 |
0.964 |
202 |
1081 |
|
|
6 |
A' |
1445 |
1404 |
0.971 |
202 |
1082 |
|
|
7 |
A' |
1381 |
1328 |
0.961 |
202 |
1083 |
|
|
8 |
A' |
1309 |
1265 |
0.966 |
202 |
1084 |
|
|
9 |
A' |
1241 |
1188 |
0.957 |
202 |
1085 |
|
|
10 |
A' |
1116 |
1098 |
0.984 |
202 |
1086 |
|
|
11 |
A' |
1109 |
1062 |
0.958 |
202 |
1087 |
|
|
12 |
A' |
1057 |
1013 |
0.958 |
202 |
1088 |
|
|
13 |
A' |
1038 |
988 |
0.951 |
202 |
1089 |
|
|
14 |
A' |
918 |
923 |
1.006 |
202 |
1090 |
|
|
15 |
A' |
879 |
898 |
1.021 |
202 |
1091 |
|
|
16 |
A" |
806 |
831 |
1.031 |
202 |
1092 |
|
|
17 |
A" |
749 |
758 |
1.012 |
202 |
1093 |
|
|
18 |
A" |
674 |
674 |
1.000 |
202 |
1094 |
|
|
19 |
A" |
663 |
663 |
1.000 |
202 |
1095 |
|
|
20 |
A" |
626 |
621 |
0.992 |
202 |
1096 |
|
|
21 |
A" |
488 |
539 |
1.106 |
202 |
1097 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3035 |
2996 |
0.987 |
203 |
1098 |
|
|
2 |
A1 |
2885 |
2817 |
0.976 |
203 |
1099 |
|
|
3 |
A1 |
1496 |
1464 |
0.978 |
203 |
1100 |
|
|
4 |
A1 |
1463 |
1452 |
0.992 |
203 |
1101 |
|
|
5 |
A1 |
1236 |
1244 |
1.006 |
203 |
1102 |
|
|
6 |
A1 |
893 |
928 |
1.040 |
203 |
1103 |
|
|
7 |
A1 |
406 |
418 |
1.031 |
203 |
1104 |
|
|
8 |
A2 |
2911 |
2952 |
1.014 |
203 |
1105 |
|
|
9 |
A2 |
1455 |
1464 |
1.006 |
203 |
1106 |
|
|
10 |
A2 |
1133 |
1150 |
1.015 |
203 |
1107 |
|
|
11 |
A2 |
223 |
203 |
0.909 |
203 |
1108 |
|
|
12 |
B1 |
2907 |
2925 |
1.006 |
203 |
1109 |
|
|
13 |
B1 |
1464 |
1464 |
1.000 |
203 |
1110 |
|
|
14 |
B1 |
1163 |
1179 |
1.013 |
203 |
1111 |
|
|
15 |
B1 |
248 |
242 |
0.977 |
203 |
1112 |
|
|
16 |
B2 |
3034 |
2996 |
0.988 |
203 |
1113 |
|
|
17 |
B2 |
2868 |
2817 |
0.982 |
203 |
1114 |
|
|
18 |
B2 |
1475 |
1464 |
0.992 |
203 |
1115 |
|
|
19 |
B2 |
1434 |
1452 |
1.013 |
203 |
1116 |
|
|
20 |
B2 |
1150 |
1227 |
1.067 |
203 |
1117 |
|
|
21 |
B2 |
1072 |
1102 |
1.028 |
203 |
1118 |
C4H4O |
Furan |
1 |
A1 |
3198 |
3161 |
0.988 |
204 |
1119 |
|
|
2 |
A1 |
3164 |
3140 |
0.992 |
204 |
1120 |
|
|
3 |
A1 |
1456 |
1491 |
1.024 |
204 |
1121 |
|
|
4 |
A1 |
1368 |
1384 |
1.012 |
204 |
1122 |
|
|
5 |
A1 |
1130 |
1140 |
1.009 |
204 |
1123 |
|
|
6 |
A1 |
1048 |
1066 |
1.017 |
204 |
1124 |
|
|
7 |
A1 |
978 |
995 |
1.017 |
204 |
1125 |
|
|
8 |
A1 |
860 |
871 |
1.013 |
204 |
1126 |
|
|
9 |
A2 |
819 |
838 |
1.023 |
204 |
1127 |
|
|
10 |
A2 |
673 |
728 |
1.082 |
204 |
1128 |
|
|
11 |
A2 |
595 |
603 |
1.014 |
204 |
1129 |
|
|
12 |
B1 |
779 |
863 |
1.107 |
204 |
1130 |
|
|
13 |
B1 |
713 |
745 |
1.045 |
204 |
1131 |
|
|
14 |
B1 |
603 |
613 |
1.017 |
204 |
1132 |
|
|
15 |
B2 |
3192 |
3154 |
0.988 |
204 |
1133 |
|
|
16 |
B2 |
3153 |
3129 |
0.992 |
204 |
1134 |
|
|
17 |
B2 |
1536 |
1556 |
1.013 |
204 |
1135 |
|
|
18 |
B2 |
1251 |
1267 |
1.013 |
204 |
1136 |
|
|
19 |
B2 |
1142 |
1180 |
1.033 |
204 |
1137 |
|
|
20 |
B2 |
1015 |
1040 |
1.024 |
204 |
1138 |
|
|
21 |
B2 |
869 |
873 |
1.004 |
204 |
1139 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3008 |
3001 |
0.998 |
205 |
1140 |
|
|
2 |
A' |
3003 |
2935 |
0.977 |
205 |
1141 |
|
|
3 |
A' |
1848 |
1882 |
1.019 |
205 |
1142 |
|
|
4 |
A' |
1495 |
1475 |
0.987 |
205 |
1143 |
|
|
5 |
A' |
1436 |
1427 |
0.994 |
205 |
1144 |
|
|
6 |
A' |
1295 |
1319 |
1.018 |
205 |
1145 |
|
|
7 |
A' |
1190 |
1199 |
1.007 |
205 |
1146 |
|
|
8 |
A' |
1034 |
1093 |
1.057 |
205 |
1147 |
|
|
9 |
A' |
976 |
1005 |
1.030 |
205 |
1148 |
|
|
10 |
A' |
868 |
924 |
1.065 |
205 |
1149 |
|
|
11 |
A' |
838 |
891 |
1.063 |
205 |
1150 |
|
|
12 |
A' |
719 |
746 |
1.038 |
205 |
1151 |
|
|
13 |
A' |
468 |
513 |
1.096 |
205 |
1152 |
|
|
14 |
A" |
3067 |
3028 |
0.987 |
205 |
1153 |
|
|
15 |
A" |
3050 |
3000 |
0.984 |
205 |
1154 |
|
|
16 |
A" |
1177 |
1184 |
1.006 |
205 |
1155 |
|
|
17 |
A" |
1121 |
1139 |
1.016 |
205 |
1156 |
|
|
18 |
A" |
1035 |
1046 |
1.011 |
205 |
1157 |
|
|
19 |
A" |
787 |
790 |
1.003 |
205 |
1158 |
|
|
20 |
A" |
501 |
490 |
0.978 |
205 |
1159 |
|
|
21 |
A" |
182 |
113 |
0.621 |
205 |
1160 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3018 |
2966 |
0.983 |
206 |
1161 |
|
|
1 |
A |
3040 |
2980 |
0.980 |
206 |
1162 |
|
|
2 |
A |
3017 |
2967 |
0.983 |
206 |
1163 |
|
|
2 |
A' |
2981 |
2872 |
0.964 |
206 |
1164 |
|
|
3 |
A' |
2962 |
2872 |
0.970 |
206 |
1165 |
|
|
3 |
A |
3006 |
2930 |
0.975 |
206 |
1166 |
|
|
4 |
A |
2983 |
2902 |
0.973 |
206 |
1167 |
|
|
4 |
A' |
2521 |
2580 |
1.023 |
206 |
1168 |
|
|
5 |
A' |
1488 |
1453 |
0.977 |
206 |
1169 |
|
|
5 |
A |
2951 |
2875 |
0.974 |
206 |
1170 |
|
|
6 |
A |
2516 |
2591 |
1.030 |
206 |
1171 |
|
|
6 |
A' |
1467 |
1453 |
0.990 |
206 |
1172 |
|
|
7 |
A' |
1394 |
1385 |
0.994 |
206 |
1173 |
|
|
7 |
A |
1482 |
1462 |
0.987 |
206 |
1174 |
|
|
8 |
A |
1473 |
1452 |
0.986 |
206 |
1175 |
|
|
8 |
A' |
1280 |
1309 |
1.022 |
206 |
1176 |
|
|
9 |
A' |
1085 |
1097 |
1.011 |
206 |
1177 |
|
|
9 |
A |
1458 |
1437 |
0.986 |
206 |
1178 |
|
|
10 |
A |
1390 |
1377 |
0.991 |
206 |
1179 |
|
|
10 |
A' |
963 |
978 |
1.015 |
206 |
1180 |
|
|
11 |
A' |
831 |
870 |
1.047 |
206 |
1181 |
|
|
11 |
A |
1284 |
1269 |
0.988 |
206 |
1182 |
|
|
12 |
A |
1259 |
1246 |
0.989 |
206 |
1183 |
|
|
12 |
A' |
618 |
660 |
1.068 |
206 |
1184 |
|
|
13 |
A' |
293 |
332 |
1.135 |
206 |
1185 |
|
|
13 |
A |
1100 |
1093 |
0.994 |
206 |
1186 |
|
|
14 |
A |
1040 |
1051 |
1.010 |
206 |
1187 |
|
|
14 |
A" |
3039 |
2966 |
0.976 |
206 |
1188 |
|
|
15 |
A" |
3014 |
2930 |
0.972 |
206 |
1189 |
|
|
15 |
A |
949 |
970 |
1.022 |
206 |
1190 |
|
|
16 |
A |
856 |
867 |
1.013 |
206 |
1191 |
|
|
16 |
A" |
1478 |
1453 |
0.983 |
206 |
1192 |
|
|
17 |
A" |
1250 |
1269 |
1.015 |
206 |
1193 |
|
|
17 |
A |
723 |
735 |
1.017 |
206 |
1194 |
|
|
18 |
A |
607 |
658 |
1.083 |
206 |
1195 |
|
|
18 |
A" |
1028 |
1049 |
1.020 |
206 |
1196 |
|
|
19 |
A" |
781 |
745 |
0.954 |
206 |
1197 |
|
|
19 |
A |
317 |
319 |
1.008 |
206 |
1198 |
|
|
20 |
A |
257 |
|
|
206 |
1199 |
|
|
21 |
A |
207 |
|
|
206 |
1200 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3050 |
2997 |
0.983 |
207 |
1201 |
|
|
2 |
A1 |
2957 |
2925 |
0.989 |
207 |
1202 |
|
|
3 |
A1 |
1468 |
1447 |
0.986 |
207 |
1203 |
|
|
4 |
A1 |
1353 |
1337 |
0.988 |
207 |
1204 |
|
|
5 |
A1 |
1036 |
1030 |
0.995 |
207 |
1205 |
|
|
6 |
A1 |
638 |
695 |
1.089 |
207 |
1206 |
|
|
7 |
A1 |
253 |
280 |
1.105 |
207 |
1207 |
|
|
8 |
A2 |
3030 |
2970 |
0.980 |
207 |
1208 |
|
|
9 |
A2 |
1446 |
1427 |
0.987 |
207 |
1209 |
|
|
10 |
A2 |
937 |
946 |
1.010 |
207 |
1210 |
|
|
11 |
A2 |
179 |
175 |
0.976 |
207 |
1211 |
|
|
12 |
B1 |
3023 |
2970 |
0.982 |
207 |
1212 |
|
|
13 |
B1 |
1456 |
1439 |
0.988 |
207 |
1213 |
|
|
14 |
B1 |
977 |
973 |
0.995 |
207 |
1214 |
|
|
15 |
B1 |
178 |
183 |
1.031 |
207 |
1215 |
|
|
16 |
B2 |
3051 |
2999 |
0.983 |
207 |
1216 |
|
|
17 |
B2 |
2959 |
2919 |
0.987 |
207 |
1217 |
|
|
18 |
B2 |
1459 |
1442 |
0.988 |
207 |
1218 |
|
|
19 |
B2 |
1326 |
1315 |
0.992 |
207 |
1219 |
|
|
20 |
B2 |
899 |
903 |
1.004 |
207 |
1220 |
|
|
21 |
B2 |
684 |
742 |
1.084 |
207 |
1221 |
C4H4S |
Thiophene |
1 |
A1 |
3166 |
3126 |
0.987 |
208 |
1222 |
|
|
2 |
A1 |
3124 |
3098 |
0.992 |
208 |
1223 |
|
|
3 |
A1 |
1400 |
1409 |
1.006 |
208 |
1224 |
|
|
4 |
A1 |
1353 |
1360 |
1.005 |
208 |
1225 |
|
|
5 |
A1 |
1080 |
1083 |
1.003 |
208 |
1226 |
|
|
6 |
A1 |
1024 |
1036 |
1.011 |
208 |
1227 |
|
|
7 |
A1 |
797 |
872 |
1.094 |
208 |
1228 |
|
|
8 |
A1 |
592 |
608 |
1.027 |
208 |
1229 |
|
|
9 |
A2 |
856 |
867 |
1.012 |
208 |
1230 |
|
|
10 |
A2 |
636 |
688 |
1.081 |
208 |
1231 |
|
|
11 |
A2 |
550 |
567 |
1.031 |
208 |
1232 |
|
|
12 |
B1 |
816 |
839 |
1.028 |
208 |
1233 |
|
|
13 |
B1 |
686 |
712 |
1.038 |
208 |
1234 |
|
|
14 |
B1 |
436 |
452 |
1.036 |
208 |
1235 |
|
|
15 |
B2 |
3164 |
3125 |
0.988 |
208 |
1236 |
|
|
16 |
B2 |
3110 |
3086 |
0.992 |
208 |
1237 |
|
|
17 |
B2 |
1503 |
1504 |
1.001 |
208 |
1238 |
|
|
18 |
B2 |
1240 |
1256 |
1.013 |
208 |
1239 |
|
|
19 |
B2 |
1080 |
1085 |
1.005 |
208 |
1240 |
|
|
20 |
B2 |
848 |
903 |
1.064 |
208 |
1241 |
|
|
21 |
B2 |
708 |
751 |
1.061 |
208 |
1242 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3137 |
3087 |
0.984 |
209 |
1243 |
|
|
2 |
Ag |
3056 |
3003 |
0.983 |
209 |
1244 |
|
|
3 |
Ag |
3037 |
2992 |
0.985 |
209 |
1245 |
|
|
4 |
Ag |
1644 |
1630 |
0.992 |
209 |
1246 |
|
|
5 |
Ag |
1448 |
1438 |
0.993 |
209 |
1247 |
|
|
6 |
Ag |
1286 |
1280 |
0.995 |
209 |
1248 |
|
|
7 |
Ag |
1202 |
1196 |
0.995 |
209 |
1249 |
|
|
8 |
Ag |
880 |
894 |
1.016 |
209 |
1250 |
|
|
9 |
Ag |
510 |
512 |
1.005 |
209 |
1251 |
|
|
10 |
Au |
1020 |
1013 |
0.993 |
209 |
1252 |
|
|
11 |
Au |
877 |
908 |
1.035 |
209 |
1253 |
|
|
12 |
Au |
519 |
522 |
1.006 |
209 |
1254 |
|
|
13 |
Au |
176 |
162 |
0.922 |
209 |
1255 |
|
|
14 |
Bg |
954 |
976 |
1.023 |
209 |
1256 |
|
|
15 |
Bg |
881 |
912 |
1.035 |
209 |
1257 |
|
|
16 |
Bg |
754 |
770 |
1.022 |
209 |
1258 |
|
|
17 |
Bu |
3137 |
3101 |
0.988 |
209 |
1259 |
|
|
18 |
Bu |
3054 |
3055 |
1.000 |
209 |
1260 |
|
|
19 |
Bu |
3048 |
2984 |
0.979 |
209 |
1261 |
|
|
20 |
Bu |
1601 |
1596 |
0.997 |
209 |
1262 |
|
|
21 |
Bu |
1386 |
1381 |
0.996 |
209 |
1263 |
|
|
22 |
Bu |
1297 |
1294 |
0.998 |
209 |
1264 |
|
|
23 |
Bu |
988 |
990 |
1.002 |
209 |
1265 |
|
|
24 |
Bu |
298 |
301 |
1.010 |
209 |
1266 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
2942 |
2916 |
0.991 |
210 |
1267 |
|
|
2 |
A1' |
2286 |
2240 |
0.980 |
210 |
1268 |
|
|
3 |
A1' |
1399 |
1380 |
0.986 |
210 |
1269 |
|
|
4 |
A1' |
704 |
725 |
1.029 |
210 |
1270 |
|
|
6 |
A2" |
2942 |
2938 |
0.999 |
210 |
1271 |
|
|
7 |
A2" |
1394 |
1382 |
0.991 |
210 |
1272 |
|
|
8 |
A2" |
1141 |
1152 |
1.010 |
210 |
1273 |
|
|
9 |
E' |
2987 |
2973 |
0.995 |
210 |
1274 |
|
|
10 |
E' |
1463 |
1456 |
0.995 |
210 |
1275 |
|
|
11 |
E' |
1050 |
1054 |
1.004 |
210 |
1276 |
|
|
12 |
E' |
193 |
213 |
1.102 |
210 |
1277 |
|
|
13 |
E" |
2988 |
2966 |
0.993 |
210 |
1278 |
|
|
14 |
E" |
1463 |
1448 |
0.990 |
210 |
1279 |
|
|
15 |
E" |
1020 |
1029 |
1.008 |
210 |
1280 |
|
|
16 |
E" |
344 |
371 |
1.079 |
210 |
1281 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3040 |
3061 |
1.007 |
211 |
1282 |
|
|
2 |
A' |
3026 |
3010 |
0.995 |
211 |
1283 |
|
|
3 |
A' |
3018 |
2965 |
0.982 |
211 |
1284 |
|
|
4 |
A' |
2945 |
2905 |
0.987 |
211 |
1285 |
|
|
5 |
A' |
1989 |
1970 |
0.991 |
211 |
1286 |
|
|
6 |
A' |
1482 |
1453 |
0.981 |
211 |
1287 |
|
|
7 |
A' |
1446 |
1437 |
0.994 |
211 |
1288 |
|
|
8 |
A' |
1382 |
1389 |
1.005 |
211 |
1289 |
|
|
9 |
A' |
1335 |
1330 |
0.997 |
211 |
1290 |
|
|
10 |
A' |
1121 |
1132 |
1.010 |
211 |
1291 |
|
|
11 |
A' |
1065 |
1074 |
1.008 |
211 |
1292 |
|
|
12 |
A' |
852 |
876 |
1.028 |
211 |
1293 |
|
|
13 |
A' |
820 |
859 |
1.048 |
211 |
1294 |
|
|
14 |
A' |
554 |
555 |
1.001 |
211 |
1295 |
|
|
15 |
A' |
204 |
210 |
1.031 |
211 |
1296 |
|
|
16 |
A" |
3088 |
3061 |
0.991 |
211 |
1297 |
|
|
17 |
A" |
2983 |
2965 |
0.994 |
211 |
1298 |
|
|
18 |
A" |
1466 |
1453 |
0.991 |
211 |
1299 |
|
|
19 |
A" |
1036 |
1110 |
1.072 |
211 |
1300 |
|
|
20 |
A" |
1005 |
1011 |
1.006 |
211 |
1301 |
|
|
21 |
A" |
868 |
842 |
0.970 |
211 |
1302 |
|
|
22 |
A" |
520 |
523 |
1.006 |
211 |
1303 |
|
|
23 |
A" |
326 |
322 |
0.988 |
211 |
1304 |
C4H6 |
Cyclobutene |
1 |
A1 |
3104 |
3060 |
0.986 |
212 |
1305 |
|
|
2 |
A1 |
2955 |
2935 |
0.993 |
212 |
1306 |
|
|
3 |
A1 |
1579 |
1570 |
0.995 |
212 |
1307 |
|
|
4 |
A1 |
1462 |
1450 |
0.992 |
212 |
1308 |
|
|
5 |
A1 |
1176 |
1276 |
1.085 |
212 |
1309 |
|
|
6 |
A1 |
1096 |
1186 |
1.082 |
212 |
1310 |
|
|
7 |
A1 |
966 |
1113 |
1.152 |
212 |
1311 |
|
|
8 |
A1 |
850 |
886 |
1.042 |
212 |
1312 |
|
|
9 |
A2 |
2981 |
2955 |
0.991 |
212 |
1313 |
|
|
10 |
A2 |
1142 |
1276 |
1.118 |
212 |
1314 |
|
|
11 |
A2 |
1015 |
1081 |
1.066 |
212 |
1315 |
|
|
12 |
A2 |
885 |
850 |
0.960 |
212 |
1316 |
|
|
13 |
A2 |
318 |
325 |
1.022 |
212 |
1317 |
|
|
14 |
B1 |
2996 |
2955 |
0.986 |
212 |
1318 |
|
|
15 |
B1 |
1074 |
1074 |
1.000 |
212 |
1319 |
|
|
16 |
B1 |
846 |
846 |
1.000 |
212 |
1320 |
|
|
17 |
B1 |
625 |
635 |
1.015 |
212 |
1321 |
|
|
18 |
B2 |
3072 |
3047 |
0.992 |
212 |
1322 |
|
|
19 |
B2 |
2950 |
2916 |
0.989 |
212 |
1323 |
|
|
20 |
B2 |
1446 |
1427 |
0.987 |
212 |
1324 |
|
|
21 |
B2 |
1277 |
1294 |
1.013 |
212 |
1325 |
|
|
22 |
B2 |
1199 |
1214 |
1.012 |
212 |
1326 |
|
|
23 |
B2 |
865 |
888 |
1.027 |
212 |
1327 |
|
|
24 |
B2 |
845 |
740 |
0.875 |
212 |
1328 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3037 |
3010 |
0.991 |
213 |
1329 |
|
|
2 |
A1 |
3017 |
3002 |
0.995 |
213 |
1330 |
|
|
3 |
A1 |
1767 |
1743 |
0.986 |
213 |
1331 |
|
|
4 |
A1 |
1456 |
1437 |
0.987 |
213 |
1332 |
|
|
5 |
A1 |
1420 |
1410 |
0.993 |
213 |
1333 |
|
|
6 |
A1 |
1025 |
1036 |
1.010 |
213 |
1334 |
|
|
7 |
A1 |
995 |
1002 |
1.007 |
213 |
1335 |
|
|
8 |
A1 |
709 |
723 |
1.020 |
213 |
1336 |
|
|
9 |
A2 |
3081 |
3051 |
0.990 |
213 |
1337 |
|
|
10 |
A2 |
1139 |
1144 |
1.005 |
213 |
1338 |
|
|
11 |
A2 |
941 |
937 |
0.996 |
213 |
1339 |
|
|
12 |
A2 |
603 |
616 |
1.021 |
213 |
1340 |
|
|
13 |
B1 |
3095 |
3071 |
0.992 |
213 |
1341 |
|
|
14 |
B1 |
1071 |
1072 |
1.001 |
213 |
1342 |
|
|
15 |
B1 |
867 |
889 |
1.025 |
213 |
1343 |
|
|
16 |
B1 |
741 |
748 |
1.009 |
213 |
1344 |
|
|
17 |
B1 |
269 |
360 |
1.340 |
213 |
1345 |
|
|
18 |
B2 |
3110 |
3086 |
0.992 |
213 |
1346 |
|
|
19 |
B2 |
3016 |
2999 |
0.994 |
213 |
1347 |
|
|
20 |
B2 |
1425 |
1353 |
0.949 |
213 |
1348 |
|
|
21 |
B2 |
1113 |
1174 |
1.055 |
213 |
1349 |
|
|
22 |
B2 |
1028 |
1125 |
1.094 |
213 |
1350 |
|
|
23 |
B2 |
869 |
792 |
0.911 |
213 |
1351 |
|
|
24 |
B2 |
345 |
290 |
0.840 |
213 |
1352 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3347 |
3345 |
0.999 |
214 |
1353 |
|
|
2 |
A' |
2994 |
2985 |
0.997 |
214 |
1354 |
|
|
3 |
A' |
2950 |
2840 |
0.963 |
214 |
1355 |
|
|
4 |
A' |
2936 |
2860 |
0.974 |
214 |
1356 |
|
|
5 |
A' |
1674 |
1622 |
0.969 |
214 |
1357 |
|
|
6 |
A' |
1484 |
1487 |
1.002 |
214 |
1358 |
|
|
7 |
A' |
1463 |
1465 |
1.001 |
214 |
1359 |
|
|
8 |
A' |
1381 |
1378 |
0.998 |
214 |
1360 |
|
|
9 |
A' |
1351 |
1397 |
1.034 |
214 |
1361 |
|
|
10 |
A' |
1123 |
1016 |
0.905 |
214 |
1362 |
|
|
11 |
A' |
1009 |
1086 |
1.076 |
214 |
1363 |
|
|
12 |
A' |
885 |
892 |
1.008 |
214 |
1364 |
|
|
13 |
A' |
827 |
773 |
0.935 |
214 |
1365 |
|
|
14 |
A' |
389 |
403 |
1.036 |
214 |
1366 |
|
|
15 |
A" |
3420 |
3412 |
0.998 |
214 |
1367 |
|
|
16 |
A" |
3004 |
2924 |
0.973 |
214 |
1368 |
|
|
17 |
A" |
2971 |
2906 |
0.978 |
214 |
1369 |
|
|
18 |
A" |
1476 |
1455 |
0.986 |
214 |
1370 |
|
|
19 |
A" |
1372 |
1238 |
0.902 |
214 |
1371 |
|
|
20 |
A" |
1248 |
1293 |
1.036 |
214 |
1372 |
|
|
21 |
A" |
994 |
1117 |
1.124 |
214 |
1373 |
|
|
22 |
A" |
765 |
816 |
1.067 |
214 |
1374 |
|
|
23 |
A" |
297 |
259 |
0.872 |
214 |
1375 |
|
|
24 |
A" |
245 |
218 |
0.889 |
214 |
1376 |
C4H5N |
Pyrrole |
1 |
A1 |
3563 |
3531 |
0.991 |
215 |
1377 |
|
|
2 |
A1 |
3179 |
3149 |
0.991 |
215 |
1378 |
|
|
3 |
A1 |
3155 |
3128 |
0.991 |
215 |
1379 |
|
|
4 |
A1 |
1454 |
1472 |
1.013 |
215 |
1380 |
|
|
5 |
A1 |
1372 |
1401 |
1.021 |
215 |
1381 |
|
|
6 |
A1 |
1136 |
1148 |
1.010 |
215 |
1382 |
|
|
7 |
A1 |
1063 |
1075 |
1.011 |
215 |
1383 |
|
|
8 |
A1 |
1004 |
1017 |
1.013 |
215 |
1384 |
|
|
9 |
A1 |
877 |
882 |
1.005 |
215 |
1385 |
|
|
10 |
A2 |
812 |
864 |
1.065 |
215 |
1386 |
|
|
11 |
A2 |
621 |
692 |
1.115 |
215 |
1387 |
|
|
12 |
A2 |
611 |
614 |
1.005 |
215 |
1388 |
|
|
13 |
B1 |
760 |
827 |
1.088 |
215 |
1389 |
|
|
14 |
B1 |
684 |
722 |
1.056 |
215 |
1390 |
|
|
15 |
B1 |
619 |
621 |
1.003 |
215 |
1391 |
|
|
16 |
B1 |
415 |
475 |
1.142 |
215 |
1392 |
|
|
17 |
B2 |
3173 |
3143 |
0.991 |
215 |
1393 |
|
|
18 |
B2 |
3144 |
3119 |
0.992 |
215 |
1394 |
|
|
19 |
B2 |
1529 |
1519 |
0.993 |
215 |
1395 |
|
|
20 |
B2 |
1407 |
1424 |
1.013 |
215 |
1396 |
|
|
21 |
B2 |
1273 |
1288 |
1.012 |
215 |
1397 |
|
|
22 |
B2 |
1128 |
1134 |
1.005 |
215 |
1398 |
|
|
23 |
B2 |
1035 |
1049 |
1.013 |
215 |
1399 |
|
|
24 |
B2 |
858 |
866 |
1.009 |
215 |
1400 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3154 |
3120 |
0.989 |
216 |
1401 |
|
|
2 |
A' |
3078 |
3052 |
0.991 |
216 |
1402 |
|
|
3 |
A' |
3062 |
3044 |
0.994 |
216 |
1403 |
|
|
4 |
A' |
2247 |
2264 |
1.008 |
216 |
1404 |
|
|
5 |
A' |
1472 |
1468 |
0.997 |
216 |
1405 |
|
|
6 |
A' |
1348 |
1344 |
0.997 |
216 |
1406 |
|
|
7 |
A' |
1178 |
1195 |
1.014 |
216 |
1407 |
|
|
8 |
A' |
1114 |
1125 |
1.010 |
216 |
1408 |
|
|
9 |
A' |
1029 |
1049 |
1.019 |
216 |
1409 |
|
|
10 |
A' |
927 |
941 |
1.015 |
216 |
1410 |
|
|
11 |
A' |
798 |
808 |
1.012 |
216 |
1411 |
|
|
12 |
A' |
733 |
736 |
1.005 |
216 |
1412 |
|
|
13 |
A' |
518 |
527 |
1.017 |
216 |
1413 |
|
|
14 |
A' |
210 |
222 |
1.059 |
216 |
1414 |
|
|
15 |
A" |
3139 |
3094 |
0.986 |
216 |
1415 |
|
|
16 |
A" |
3060 |
3040 |
0.994 |
216 |
1416 |
|
|
17 |
A" |
1447 |
1442 |
0.997 |
216 |
1417 |
|
|
18 |
A" |
1178 |
1180 |
1.001 |
216 |
1418 |
|
|
19 |
A" |
1078 |
1070 |
0.993 |
216 |
1419 |
|
|
20 |
A" |
1048 |
1088 |
1.038 |
216 |
1420 |
|
|
21 |
A" |
854 |
880 |
1.030 |
216 |
1421 |
|
|
22 |
A" |
794 |
821 |
1.033 |
216 |
1422 |
|
|
23 |
A" |
537 |
543 |
1.010 |
216 |
1423 |
|
|
24 |
A" |
211 |
222 |
1.050 |
216 |
1424 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3080 |
3055 |
0.992 |
217 |
1425 |
|
|
2 |
Ag |
1545 |
1580 |
1.022 |
217 |
1426 |
|
|
3 |
Ag |
1218 |
1233 |
1.013 |
217 |
1427 |
|
|
4 |
Ag |
998 |
1016 |
1.019 |
217 |
1428 |
|
|
5 |
Ag |
596 |
602 |
1.011 |
217 |
1429 |
|
|
6 |
Au |
952 |
960 |
1.008 |
217 |
1430 |
|
|
7 |
Au |
319 |
350 |
1.097 |
217 |
1431 |
|
|
8 |
B1g |
910 |
927 |
1.019 |
217 |
1432 |
|
|
9 |
B1u |
3058 |
3012 |
0.985 |
217 |
1433 |
|
|
10 |
B1u |
1466 |
1483 |
1.012 |
217 |
1434 |
|
|
11 |
B1u |
1129 |
1130 |
1.001 |
217 |
1435 |
|
|
12 |
B1u |
1002 |
1018 |
1.016 |
217 |
1436 |
|
|
13 |
B2g |
945 |
983 |
1.040 |
217 |
1437 |
|
|
14 |
B2g |
754 |
756 |
1.003 |
217 |
1438 |
|
|
15 |
B2u |
3073 |
3069 |
0.999 |
217 |
1439 |
|
|
16 |
B2u |
1403 |
1411 |
1.006 |
217 |
1440 |
|
|
17 |
B2u |
1182 |
1149 |
0.972 |
217 |
1441 |
|
|
18 |
B2u |
1052 |
1063 |
1.011 |
217 |
1442 |
|
|
19 |
B3g |
3057 |
3040 |
0.994 |
217 |
1443 |
|
|
20 |
B3g |
1498 |
1525 |
1.018 |
217 |
1444 |
|
|
21 |
B3g |
1340 |
1346 |
1.004 |
217 |
1445 |
|
|
22 |
B3g |
701 |
704 |
1.004 |
217 |
1446 |
|
|
23 |
B3u |
769 |
785 |
1.020 |
217 |
1447 |
|
|
24 |
B3u |
415 |
418 |
1.008 |
217 |
1448 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3624 |
3675 |
1.014 |
218 |
1449 |
|
|
2 |
A |
3127 |
3102 |
0.992 |
218 |
1450 |
|
|
3 |
A |
3060 |
3022 |
0.988 |
218 |
1451 |
|
|
4 |
A |
3047 |
2995 |
0.983 |
218 |
1452 |
|
|
5 |
A |
2906 |
2934 |
1.010 |
218 |
1453 |
|
|
6 |
A |
2871 |
2866 |
0.998 |
218 |
1454 |
|
|
7 |
A |
1660 |
1654 |
0.996 |
218 |
1455 |
|
|
8 |
A |
1481 |
1453 |
0.981 |
218 |
1456 |
|
|
9 |
A |
1440 |
1414 |
0.982 |
218 |
1457 |
|
|
10 |
A |
1397 |
1384 |
0.991 |
218 |
1458 |
|
|
11 |
A |
1286 |
1320 |
1.026 |
218 |
1459 |
|
|
12 |
A |
1251 |
1293 |
1.033 |
218 |
1460 |
|
|
13 |
A |
1208 |
1191 |
0.986 |
218 |
1461 |
|
|
14 |
A |
1134 |
1132 |
0.998 |
218 |
1462 |
|
|
15 |
A |
999 |
1110 |
1.111 |
218 |
1463 |
|
|
16 |
A |
985 |
1038 |
1.054 |
218 |
1464 |
|
|
17 |
A |
938 |
995 |
1.061 |
218 |
1465 |
|
|
18 |
A |
902 |
919 |
1.019 |
218 |
1466 |
|
|
19 |
A |
892 |
885 |
0.992 |
218 |
1467 |
|
|
20 |
A |
630 |
606 |
0.961 |
218 |
1468 |
|
|
22 |
A |
323 |
377 |
1.167 |
218 |
1469 |
|
|
23 |
A |
253 |
277 |
1.095 |
218 |
1470 |
|
|
24 |
A |
114 |
188 |
1.647 |
218 |
1471 |
CH3CH2CHO |
Propanal |
1 |
A' |
3033 |
2981 |
0.983 |
219 |
1472 |
|
|
2 |
A' |
2974 |
2904 |
0.976 |
219 |
1473 |
|
|
3 |
A' |
2923 |
2895 |
0.990 |
219 |
1474 |
|
|
4 |
A' |
2747 |
2809 |
1.023 |
219 |
1475 |
|
|
5 |
A' |
1737 |
1743 |
1.003 |
219 |
1476 |
|
|
6 |
A' |
1484 |
1460 |
0.984 |
219 |
1477 |
|
|
7 |
A' |
1428 |
1416 |
0.992 |
219 |
1478 |
|
|
8 |
A' |
1396 |
1390 |
0.996 |
219 |
1479 |
|
|
9 |
A' |
1378 |
1376 |
0.999 |
219 |
1480 |
|
|
10 |
A' |
1323 |
1335 |
1.009 |
219 |
1481 |
|
|
11 |
A' |
1078 |
1093 |
1.014 |
219 |
1482 |
|
|
12 |
A' |
976 |
993 |
1.017 |
219 |
1483 |
|
|
13 |
A' |
813 |
848 |
1.043 |
219 |
1484 |
|
|
14 |
A' |
654 |
668 |
1.022 |
219 |
1485 |
|
|
15 |
A' |
249 |
271 |
1.090 |
219 |
1486 |
|
|
16 |
A" |
3036 |
2992 |
0.986 |
219 |
1487 |
|
|
17 |
A" |
2937 |
2942 |
1.002 |
219 |
1488 |
|
|
18 |
A" |
1477 |
1451 |
0.983 |
219 |
1489 |
|
|
19 |
A" |
1254 |
1250 |
0.996 |
219 |
1490 |
|
|
20 |
A" |
1112 |
1118 |
1.005 |
219 |
1491 |
|
|
21 |
A" |
879 |
892 |
1.015 |
219 |
1492 |
|
|
22 |
A" |
654 |
660 |
1.009 |
219 |
1493 |
|
|
23 |
A" |
222 |
220 |
0.991 |
219 |
1494 |
|
|
24 |
A" |
124 |
135 |
1.087 |
219 |
1495 |
C3H6O |
Oxetane |
1 |
A1 |
2993 |
2959 |
0.989 |
220 |
1496 |
|
|
2 |
A1 |
2939 |
2930 |
0.997 |
220 |
1497 |
|
|
3 |
A1 |
1520 |
1473 |
0.969 |
220 |
1498 |
|
|
4 |
A1 |
1471 |
1461 |
0.993 |
220 |
1499 |
|
|
5 |
A1 |
1346 |
1342 |
0.997 |
220 |
1500 |
|
|
6 |
A1 |
1000 |
1134 |
1.134 |
220 |
1501 |
|
|
7 |
A1 |
869 |
1018 |
1.171 |
220 |
1502 |
|
|
8 |
A1 |
788 |
908 |
1.152 |
220 |
1503 |
|
|
9 |
A2 |
2967 |
3000 |
1.011 |
220 |
1504 |
|
|
10 |
A2 |
1215 |
1283 |
1.056 |
220 |
1505 |
|
|
11 |
A2 |
1131 |
1185 |
1.048 |
220 |
1506 |
|
|
12 |
A2 |
831 |
986 |
1.186 |
220 |
1507 |
|
|
13 |
B1 |
3043 |
3007 |
0.988 |
220 |
1508 |
|
|
14 |
B1 |
2964 |
2940 |
0.992 |
220 |
1509 |
|
|
15 |
B1 |
1168 |
1225 |
1.049 |
220 |
1510 |
|
|
16 |
B1 |
1115 |
1142 |
1.024 |
220 |
1511 |
|
|
17 |
B1 |
754 |
836 |
1.108 |
220 |
1512 |
|
|
18 |
B1 |
84 |
90 |
1.075 |
220 |
1513 |
|
|
19 |
B2 |
2927 |
2966 |
1.013 |
220 |
1514 |
|
|
20 |
B2 |
1492 |
1508 |
1.011 |
220 |
1515 |
|
|
21 |
B2 |
1279 |
1458 |
1.140 |
220 |
1516 |
|
|
22 |
B2 |
1235 |
1363 |
1.104 |
220 |
1517 |
|
|
23 |
B2 |
963 |
1228 |
1.275 |
220 |
1518 |
|
|
24 |
B2 |
912 |
936 |
1.027 |
220 |
1519 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3060 |
3018 |
0.986 |
221 |
1520 |
|
|
2 |
A |
3016 |
2985 |
0.990 |
221 |
1521 |
|
|
3 |
A |
2968 |
2958 |
0.997 |
221 |
1522 |
|
|
4 |
A |
2913 |
2945 |
1.011 |
221 |
1523 |
|
|
5 |
A |
2899 |
2922 |
1.008 |
221 |
1524 |
|
|
6 |
A |
2250 |
2245 |
0.998 |
221 |
1525 |
|
|
7 |
A |
1484 |
1472 |
0.992 |
221 |
1526 |
|
|
8 |
A |
1464 |
1452 |
0.992 |
221 |
1527 |
|
|
9 |
A |
1451 |
1439 |
0.992 |
221 |
1528 |
|
|
10 |
A |
1441 |
1431 |
0.993 |
221 |
1529 |
|
|
11 |
A |
1357 |
1368 |
1.008 |
221 |
1530 |
|
|
12 |
A |
1280 |
1287 |
1.006 |
221 |
1531 |
|
|
13 |
A |
1180 |
1199 |
1.016 |
221 |
1532 |
|
|
14 |
A |
1146 |
1161 |
1.013 |
221 |
1533 |
|
|
15 |
A |
1068 |
1127 |
1.056 |
221 |
1534 |
|
|
16 |
A |
1001 |
1016 |
1.015 |
221 |
1535 |
|
|
17 |
A |
879 |
925 |
1.052 |
221 |
1536 |
|
|
18 |
A |
861 |
890 |
1.034 |
221 |
1537 |
|
|
19 |
A |
577 |
586 |
1.016 |
221 |
1538 |
|
|
20 |
A |
380 |
404 |
1.063 |
221 |
1539 |
|
|
21 |
A |
351 |
347 |
0.989 |
221 |
1540 |
|
|
22 |
A |
244 |
243 |
0.995 |
221 |
1541 |
|
|
23 |
A |
170 |
170 |
0.997 |
221 |
1542 |
|
|
24 |
A |
112 |
113 |
1.013 |
221 |
1543 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3065 |
2990 |
0.976 |
222 |
1544 |
|
|
2 |
A |
3047 |
2983 |
0.979 |
222 |
1545 |
|
|
3 |
A |
2970 |
2913 |
0.981 |
222 |
1546 |
|
|
4 |
A |
1454 |
1426 |
0.981 |
222 |
1547 |
|
|
5 |
A |
1444 |
1419 |
0.983 |
222 |
1548 |
|
|
6 |
A |
1333 |
1311 |
0.983 |
222 |
1549 |
|
|
7 |
A |
960 |
955 |
0.995 |
222 |
1550 |
|
|
8 |
A |
952 |
949 |
0.997 |
222 |
1551 |
|
|
9 |
A |
632 |
694 |
1.099 |
222 |
1552 |
|
|
10 |
A |
432 |
509 |
1.179 |
222 |
1553 |
|
|
11 |
A |
216 |
240 |
1.113 |
222 |
1554 |
|
|
12 |
A |
146 |
134 |
0.918 |
222 |
1555 |
|
|
13 |
A |
97 |
117 |
1.202 |
222 |
1556 |
|
|
14 |
B |
3064 |
2990 |
0.976 |
222 |
1557 |
|
|
15 |
B |
3046 |
2983 |
0.979 |
222 |
1558 |
|
|
16 |
B |
2968 |
2915 |
0.982 |
222 |
1559 |
|
|
17 |
B |
1458 |
1430 |
0.981 |
222 |
1560 |
|
|
18 |
B |
1439 |
1415 |
0.984 |
222 |
1561 |
|
|
19 |
B |
1327 |
1303 |
0.982 |
222 |
1562 |
|
|
20 |
B |
957 |
955 |
0.998 |
222 |
1563 |
|
|
21 |
B |
951 |
949 |
0.998 |
222 |
1564 |
|
|
22 |
B |
632 |
691 |
1.093 |
222 |
1565 |
|
|
23 |
B |
244 |
274 |
1.124 |
222 |
1566 |
|
|
24 |
B |
155 |
134 |
0.865 |
222 |
1567 |
C3H8 |
Propane |
1 |
A1 |
3007 |
2977 |
0.990 |
223 |
1568 |
|
|
2 |
A1 |
2948 |
2962 |
1.005 |
223 |
1569 |
|
|
3 |
A1 |
2938 |
2887 |
0.983 |
223 |
1570 |
|
|
4 |
A1 |
1495 |
1476 |
0.987 |
223 |
1571 |
|
|
5 |
A1 |
1471 |
1462 |
0.994 |
223 |
1572 |
|
|
6 |
A1 |
1398 |
1392 |
0.995 |
223 |
1573 |
|
|
7 |
A1 |
1149 |
1158 |
1.008 |
223 |
1574 |
|
|
8 |
A1 |
843 |
869 |
1.031 |
223 |
1575 |
|
|
9 |
A1 |
361 |
369 |
1.022 |
223 |
1576 |
|
|
10 |
A2 |
2995 |
2967 |
0.991 |
223 |
1577 |
|
|
11 |
A2 |
1473 |
1451 |
0.985 |
223 |
1578 |
|
|
12 |
A2 |
1295 |
1278 |
0.987 |
223 |
1579 |
|
|
13 |
A2 |
897 |
940 |
1.048 |
223 |
1580 |
|
|
14 |
A2 |
216 |
216 |
0.999 |
223 |
1581 |
|
|
15 |
B1 |
3007 |
2973 |
0.989 |
223 |
1582 |
|
|
16 |
B1 |
2955 |
2968 |
1.005 |
223 |
1583 |
|
|
17 |
B1 |
1492 |
1472 |
0.987 |
223 |
1584 |
|
|
18 |
B1 |
1187 |
1192 |
1.004 |
223 |
1585 |
|
|
19 |
B1 |
738 |
748 |
1.014 |
223 |
1586 |
|
|
20 |
B1 |
264 |
268 |
1.014 |
223 |
1587 |
|
|
21 |
B2 |
3004 |
2968 |
0.988 |
223 |
1588 |
|
|
22 |
B2 |
2944 |
2887 |
0.981 |
223 |
1589 |
|
|
23 |
B2 |
1480 |
1464 |
0.989 |
223 |
1590 |
|
|
24 |
B2 |
1379 |
1378 |
0.999 |
223 |
1591 |
|
|
25 |
B2 |
1337 |
1338 |
1.001 |
223 |
1592 |
|
|
26 |
B2 |
1023 |
1054 |
1.031 |
223 |
1593 |
|
|
27 |
B2 |
913 |
922 |
1.009 |
223 |
1594 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3138 |
3091 |
0.985 |
224 |
1595 |
|
|
2 |
A1 |
3112 |
3075 |
0.988 |
224 |
1596 |
|
|
3 |
A1 |
2937 |
2886 |
0.983 |
224 |
1597 |
|
|
4 |
A1 |
1493 |
1500 |
1.005 |
224 |
1598 |
|
|
5 |
A1 |
1392 |
1378 |
0.990 |
224 |
1599 |
|
|
6 |
A1 |
1360 |
1365 |
1.004 |
224 |
1600 |
|
|
7 |
A1 |
1101 |
1106 |
1.004 |
224 |
1601 |
|
|
8 |
A1 |
984 |
994 |
1.010 |
224 |
1602 |
|
|
9 |
A1 |
893 |
915 |
1.025 |
224 |
1603 |
|
|
10 |
A1 |
796 |
802 |
1.007 |
224 |
1604 |
|
|
11 |
A2 |
1100 |
1100 |
1.000 |
224 |
1605 |
|
|
12 |
A2 |
898 |
941 |
1.047 |
224 |
1606 |
|
|
13 |
A2 |
670 |
700 |
1.044 |
224 |
1607 |
|
|
14 |
A2 |
504 |
516 |
1.023 |
224 |
1608 |
|
|
15 |
B1 |
2952 |
2900 |
0.982 |
224 |
1609 |
|
|
16 |
B1 |
895 |
925 |
1.033 |
224 |
1610 |
|
|
17 |
B1 |
889 |
891 |
1.002 |
224 |
1611 |
|
|
18 |
B1 |
656 |
664 |
1.012 |
224 |
1612 |
|
|
19 |
B1 |
341 |
350 |
1.026 |
224 |
1613 |
|
|
20 |
B2 |
3131 |
3105 |
0.992 |
224 |
1614 |
|
|
21 |
B2 |
3101 |
3043 |
0.981 |
224 |
1615 |
|
|
22 |
B2 |
1582 |
1580 |
0.999 |
224 |
1616 |
|
|
23 |
B2 |
1277 |
1292 |
1.011 |
224 |
1617 |
|
|
24 |
B2 |
1226 |
1239 |
1.010 |
224 |
1618 |
|
|
25 |
B2 |
1085 |
1090 |
1.005 |
224 |
1619 |
|
|
26 |
B2 |
942 |
959 |
1.018 |
224 |
1620 |
|
|
27 |
B2 |
798 |
805 |
1.009 |
224 |
1621 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3070 |
3058 |
0.996 |
225 |
1622 |
|
|
2 |
A' |
3038 |
2995 |
0.986 |
225 |
1623 |
|
|
3 |
A' |
3021 |
2963 |
0.981 |
225 |
1624 |
|
|
4 |
A' |
2943 |
2938 |
0.998 |
225 |
1625 |
|
|
5 |
A' |
2745 |
2805 |
1.022 |
225 |
1626 |
|
|
6 |
A' |
1692 |
1720 |
1.017 |
225 |
1627 |
|
|
7 |
A' |
1641 |
1649 |
1.005 |
225 |
1628 |
|
|
8 |
A' |
1466 |
1455 |
0.993 |
225 |
1629 |
|
|
9 |
A' |
1389 |
1391 |
1.002 |
225 |
1630 |
|
|
10 |
A' |
1384 |
1375 |
0.993 |
225 |
1631 |
|
|
11 |
A' |
1302 |
1304 |
1.002 |
225 |
1632 |
|
|
12 |
A' |
1253 |
1253 |
1.000 |
225 |
1633 |
|
|
13 |
A' |
1132 |
1147 |
1.014 |
225 |
1634 |
|
|
14 |
A' |
1057 |
1074 |
1.016 |
225 |
1635 |
|
|
15 |
A' |
923 |
973 |
1.054 |
225 |
1636 |
|
|
16 |
A' |
530 |
539 |
1.018 |
225 |
1637 |
|
|
17 |
A' |
449 |
464 |
1.035 |
225 |
1638 |
|
|
18 |
A' |
205 |
230 |
1.124 |
225 |
1639 |
|
|
19 |
A" |
2977 |
2980 |
1.001 |
225 |
1640 |
|
|
20 |
A" |
1459 |
1455 |
0.997 |
225 |
1641 |
|
|
21 |
A" |
1042 |
1042 |
1.000 |
225 |
1642 |
|
|
22 |
A" |
994 |
973 |
0.978 |
225 |
1643 |
|
|
23 |
A" |
971 |
928 |
0.956 |
225 |
1644 |
|
|
24 |
A" |
770 |
780 |
1.013 |
225 |
1645 |
|
|
25 |
A" |
292 |
295 |
1.011 |
225 |
1646 |
|
|
26 |
A" |
195 |
173 |
0.889 |
225 |
1647 |
|
|
27 |
A" |
126 |
122 |
0.965 |
225 |
1648 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3098 |
3022 |
0.976 |
226 |
1649 |
|
|
2 |
A |
3053 |
3004 |
0.984 |
226 |
1650 |
|
|
3 |
A |
3042 |
2991 |
0.983 |
226 |
1651 |
|
|
4 |
A |
3031 |
2970 |
0.980 |
226 |
1652 |
|
|
5 |
A |
3026 |
2949 |
0.974 |
226 |
1653 |
|
|
6 |
A |
2974 |
2908 |
0.978 |
226 |
1654 |
|
|
7 |
A |
1479 |
1462 |
0.989 |
226 |
1655 |
|
|
8 |
A |
1471 |
1459 |
0.992 |
226 |
1656 |
|
|
9 |
A |
1455 |
1446 |
0.994 |
226 |
1657 |
|
|
10 |
A |
1391 |
1391 |
1.000 |
226 |
1658 |
|
|
11 |
A |
1350 |
1347 |
0.998 |
226 |
1659 |
|
|
12 |
A |
1284 |
1286 |
1.002 |
226 |
1660 |
|
|
13 |
A |
1237 |
1238 |
1.001 |
226 |
1661 |
|
|
14 |
A |
1189 |
1181 |
0.993 |
226 |
1662 |
|
|
15 |
A |
1108 |
1120 |
1.010 |
226 |
1663 |
|
|
16 |
A |
1062 |
1076 |
1.013 |
226 |
1664 |
|
|
17 |
A |
1003 |
1023 |
1.020 |
226 |
1665 |
|
|
18 |
A |
895 |
890 |
0.995 |
226 |
1666 |
|
|
19 |
A |
837 |
850 |
1.016 |
226 |
1667 |
|
|
20 |
A |
675 |
750 |
1.112 |
226 |
1668 |
|
|
21 |
A |
604 |
685 |
1.134 |
226 |
1669 |
|
|
22 |
A |
402 |
417 |
1.037 |
226 |
1670 |
|
|
23 |
A |
333 |
358 |
1.075 |
226 |
1671 |
|
|
24 |
A |
265 |
285 |
1.074 |
226 |
1672 |
|
|
25 |
A |
245 |
250 |
1.019 |
226 |
1673 |
|
|
26 |
A |
197 |
203 |
1.031 |
226 |
1674 |
|
|
27 |
A |
109 |
108 |
0.994 |
226 |
1675 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3047 |
2989 |
0.981 |
227 |
1676 |
|
|
2 |
A1 |
3024 |
2941 |
0.973 |
227 |
1677 |
|
|
3 |
A1 |
2939 |
2911 |
0.990 |
227 |
1678 |
|
|
4 |
A1 |
1663 |
1661 |
0.999 |
227 |
1679 |
|
|
5 |
A1 |
1483 |
1470 |
0.991 |
227 |
1680 |
|
|
6 |
A1 |
1415 |
1416 |
1.000 |
227 |
1681 |
|
|
7 |
A1 |
1393 |
1366 |
0.980 |
227 |
1682 |
|
|
8 |
A1 |
1061 |
1064 |
1.003 |
227 |
1683 |
|
|
9 |
A1 |
787 |
801 |
1.018 |
227 |
1684 |
|
|
10 |
A1 |
372 |
383 |
1.030 |
227 |
1685 |
|
|
11 |
A2 |
2967 |
2970 |
1.001 |
227 |
1686 |
|
|
12 |
A2 |
1453 |
1459 |
1.004 |
227 |
1687 |
|
|
13 |
A2 |
1004 |
1076 |
1.072 |
227 |
1688 |
|
|
14 |
A2 |
681 |
|
|
227 |
1689 |
|
|
15 |
A2 |
161 |
193 |
1.200 |
227 |
1690 |
|
|
16 |
B1 |
2971 |
2945 |
0.991 |
227 |
1691 |
|
|
17 |
B1 |
1472 |
1444 |
0.981 |
227 |
1692 |
|
|
18 |
B1 |
1082 |
1079 |
0.998 |
227 |
1693 |
|
|
19 |
B1 |
867 |
890 |
1.027 |
227 |
1694 |
|
|
20 |
B1 |
425 |
429 |
1.010 |
227 |
1695 |
|
|
21 |
B1 |
202 |
196 |
0.970 |
227 |
1696 |
|
|
22 |
B2 |
3120 |
3086 |
0.989 |
227 |
1697 |
|
|
23 |
B2 |
3022 |
2980 |
0.986 |
227 |
1698 |
|
|
24 |
B2 |
2932 |
2893 |
0.987 |
227 |
1699 |
|
|
25 |
B2 |
1468 |
1458 |
0.993 |
227 |
1700 |
|
|
26 |
B2 |
1384 |
1381 |
0.998 |
227 |
1701 |
|
|
27 |
B2 |
1257 |
1282 |
1.020 |
227 |
1702 |
|
|
28 |
B2 |
963 |
1043 |
1.083 |
227 |
1703 |
|
|
29 |
B2 |
937 |
974 |
1.039 |
227 |
1704 |
|
|
30 |
B2 |
431 |
430 |
0.997 |
227 |
1705 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3135 |
3088 |
0.985 |
228 |
1706 |
|
|
2 |
A |
3065 |
3017 |
0.984 |
228 |
1707 |
|
|
3 |
A |
3053 |
3011 |
0.986 |
228 |
1708 |
|
|
4 |
A |
3047 |
2990 |
0.981 |
228 |
1709 |
|
|
5 |
A |
3029 |
2974 |
0.982 |
228 |
1710 |
|
|
6 |
A |
3018 |
2967 |
0.983 |
228 |
1711 |
|
|
7 |
A |
2961 |
2927 |
0.988 |
228 |
1712 |
|
|
8 |
A |
1645 |
1645 |
1.000 |
228 |
1713 |
|
|
9 |
A |
1475 |
1452 |
0.985 |
228 |
1714 |
|
|
10 |
A |
1466 |
1447 |
0.987 |
228 |
1715 |
|
|
11 |
A |
1429 |
1424 |
0.997 |
228 |
1716 |
|
|
12 |
A |
1386 |
1375 |
0.992 |
228 |
1717 |
|
|
13 |
A |
1308 |
1297 |
0.991 |
228 |
1718 |
|
|
14 |
A |
1293 |
1283 |
0.992 |
228 |
1719 |
|
|
15 |
A |
1228 |
1233 |
1.004 |
228 |
1720 |
|
|
16 |
A |
1163 |
1174 |
1.009 |
228 |
1721 |
|
|
17 |
A |
1074 |
1090 |
1.015 |
228 |
1722 |
|
|
18 |
A |
1013 |
1025 |
1.012 |
228 |
1723 |
|
|
19 |
A |
990 |
988 |
0.998 |
228 |
1724 |
|
|
20 |
A |
960 |
966 |
1.006 |
228 |
1725 |
|
|
21 |
A |
908 |
931 |
1.026 |
228 |
1726 |
|
|
22 |
A |
841 |
864 |
1.028 |
228 |
1727 |
|
|
23 |
A |
684 |
708 |
1.035 |
228 |
1728 |
|
|
24 |
A |
575 |
625 |
1.087 |
228 |
1729 |
|
|
25 |
A |
429 |
456 |
1.063 |
228 |
1730 |
|
|
26 |
A |
313 |
319 |
1.019 |
228 |
1731 |
|
|
27 |
A |
294 |
305 |
1.037 |
228 |
1732 |
|
|
28 |
A |
268 |
283 |
1.055 |
228 |
1733 |
|
|
29 |
A |
245 |
245 |
0.999 |
228 |
1734 |
|
|
30 |
A |
103 |
92 |
0.889 |
228 |
1735 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3139 |
3095 |
0.986 |
229 |
1736 |
|
|
2 |
A' |
3131 |
3095 |
0.988 |
229 |
1737 |
|
|
3 |
A' |
3064 |
3000 |
0.979 |
229 |
1738 |
|
|
4 |
A' |
3055 |
3000 |
0.982 |
229 |
1739 |
|
|
5 |
A' |
3044 |
3000 |
0.985 |
229 |
1740 |
|
|
6 |
A' |
3031 |
2984 |
0.985 |
229 |
1741 |
|
|
7 |
A' |
2951 |
2904 |
0.984 |
229 |
1742 |
|
|
8 |
A' |
1635 |
1638 |
1.002 |
229 |
1743 |
|
|
9 |
A' |
1604 |
1607 |
1.002 |
229 |
1744 |
|
|
10 |
A' |
1484 |
1464 |
0.987 |
229 |
1745 |
|
|
11 |
A' |
1433 |
1420 |
0.991 |
229 |
1746 |
|
|
12 |
A' |
1398 |
1389 |
0.994 |
229 |
1747 |
|
|
13 |
A' |
1390 |
1363 |
0.981 |
229 |
1748 |
|
|
14 |
A' |
1300 |
1313 |
1.010 |
229 |
1749 |
|
|
15 |
A' |
1292 |
1303 |
1.008 |
229 |
1750 |
|
|
16 |
A' |
1068 |
1072 |
1.003 |
229 |
1751 |
|
|
17 |
A' |
996 |
1012 |
1.016 |
229 |
1752 |
|
|
18 |
A' |
937 |
953 |
1.018 |
229 |
1753 |
|
|
19 |
A' |
767 |
770 |
1.004 |
229 |
1754 |
|
|
20 |
A' |
525 |
530 |
1.010 |
229 |
1755 |
|
|
21 |
A' |
422 |
396 |
0.939 |
229 |
1756 |
|
|
22 |
A' |
271 |
196 |
0.723 |
229 |
1757 |
|
|
23 |
A" |
2991 |
2949 |
0.986 |
229 |
1758 |
|
|
24 |
A" |
1466 |
1451 |
0.990 |
229 |
1759 |
|
|
25 |
A" |
1049 |
1034 |
0.985 |
229 |
1760 |
|
|
26 |
A" |
988 |
991 |
1.003 |
229 |
1761 |
|
|
27 |
A" |
877 |
907 |
1.035 |
229 |
1762 |
|
|
28 |
A" |
869 |
907 |
1.044 |
229 |
1763 |
|
|
29 |
A" |
759 |
757 |
0.998 |
229 |
1764 |
|
|
30 |
A" |
620 |
615 |
0.992 |
229 |
1765 |
|
|
31 |
A" |
396 |
290 |
0.732 |
229 |
1766 |
|
|
32 |
A" |
197 |
153 |
0.778 |
229 |
1767 |
C5H8 |
Cyclopentene |
1 |
A' |
3105 |
3066 |
0.987 |
230 |
1768 |
|
|
2 |
A' |
3013 |
2958 |
0.982 |
230 |
1769 |
|
|
3 |
A' |
2979 |
2916 |
0.979 |
230 |
1770 |
|
|
4 |
A' |
2955 |
2902 |
0.982 |
230 |
1771 |
|
|
5 |
A' |
2916 |
2852 |
0.978 |
230 |
1772 |
|
|
6 |
A' |
1622 |
1616 |
0.996 |
230 |
1773 |
|
|
7 |
A' |
1486 |
1467 |
0.987 |
230 |
1774 |
|
|
8 |
A' |
1462 |
1449 |
0.991 |
230 |
1775 |
|
|
9 |
A' |
1288 |
1302 |
1.011 |
230 |
1776 |
|
|
10 |
A' |
1204 |
1284 |
1.066 |
230 |
1777 |
|
|
11 |
A' |
1102 |
1213 |
1.101 |
230 |
1778 |
|
|
12 |
A' |
1043 |
1048 |
1.005 |
230 |
1779 |
|
|
13 |
A' |
942 |
964 |
1.023 |
230 |
1780 |
|
|
14 |
A' |
871 |
962 |
1.105 |
230 |
1781 |
|
|
15 |
A' |
796 |
904 |
1.136 |
230 |
1782 |
|
|
16 |
A' |
685 |
692 |
1.010 |
230 |
1783 |
|
|
17 |
A' |
606 |
603 |
0.995 |
230 |
1784 |
|
|
18 |
A' |
128 |
254 |
1.983 |
230 |
1785 |
|
|
19 |
A" |
3080 |
3039 |
0.987 |
230 |
1786 |
|
|
20 |
A" |
2960 |
2967 |
1.002 |
230 |
1787 |
|
|
21 |
A" |
2917 |
2927 |
1.003 |
230 |
1788 |
|
|
22 |
A" |
1467 |
1467 |
1.000 |
230 |
1789 |
|
|
23 |
A" |
1342 |
1432 |
1.067 |
230 |
1790 |
|
|
24 |
A" |
1287 |
1356 |
1.054 |
230 |
1791 |
|
|
25 |
A" |
1277 |
1302 |
1.020 |
230 |
1792 |
|
|
26 |
A" |
1194 |
1297 |
1.086 |
230 |
1793 |
|
|
27 |
A" |
1131 |
1207 |
1.068 |
230 |
1794 |
|
|
28 |
A" |
1001 |
1113 |
1.112 |
230 |
1795 |
|
|
29 |
A" |
920 |
1082 |
1.176 |
230 |
1796 |
|
|
30 |
A" |
893 |
937 |
1.050 |
230 |
1797 |
|
|
31 |
A" |
867 |
800 |
0.923 |
230 |
1798 |
|
|
32 |
A" |
762 |
702 |
0.921 |
230 |
1799 |
|
|
33 |
A" |
379 |
387 |
1.020 |
230 |
1800 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3124 |
3080 |
0.986 |
231 |
1801 |
|
|
2 |
A |
3049 |
3012 |
0.988 |
231 |
1802 |
|
|
3 |
A |
3041 |
3012 |
0.990 |
231 |
1803 |
|
|
4 |
A |
2927 |
2900 |
0.991 |
231 |
1804 |
|
|
5 |
A |
1657 |
1644 |
0.992 |
231 |
1805 |
|
|
6 |
A |
1452 |
1433 |
0.987 |
231 |
1806 |
|
|
7 |
A |
1421 |
1413 |
0.994 |
231 |
1807 |
|
|
8 |
A |
1294 |
1295 |
1.001 |
231 |
1808 |
|
|
9 |
A |
1240 |
1263 |
1.019 |
231 |
1809 |
|
|
10 |
A |
1060 |
1120 |
1.057 |
231 |
1810 |
|
|
11 |
A |
996 |
995 |
0.999 |
231 |
1811 |
|
|
12 |
A |
895 |
918 |
1.025 |
231 |
1812 |
|
|
13 |
A |
886 |
876 |
0.988 |
231 |
1813 |
|
|
14 |
A |
657 |
562 |
0.856 |
231 |
1814 |
|
|
15 |
A |
365 |
421 |
1.154 |
231 |
1815 |
|
|
16 |
A |
297 |
137 |
0.462 |
231 |
1816 |
|
|
17 |
A |
87 |
102 |
1.166 |
231 |
1817 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3040 |
2987 |
0.983 |
232 |
1818 |
|
|
2 |
A1 |
3018 |
2941 |
0.975 |
232 |
1819 |
|
|
3 |
A1 |
2940 |
2916 |
0.992 |
232 |
1820 |
|
|
4 |
A1 |
1987 |
1996 |
1.004 |
232 |
1821 |
|
|
5 |
A1 |
1491 |
1470 |
0.986 |
232 |
1822 |
|
|
6 |
A1 |
1445 |
1438 |
0.995 |
232 |
1823 |
|
|
7 |
A1 |
1390 |
1369 |
0.985 |
232 |
1824 |
|
|
8 |
A1 |
1282 |
1286 |
1.003 |
232 |
1825 |
|
|
9 |
A1 |
1002 |
973 |
0.971 |
232 |
1826 |
|
|
10 |
A1 |
709 |
726 |
1.024 |
232 |
1827 |
|
|
11 |
A1 |
335 |
349 |
1.041 |
232 |
1828 |
|
|
12 |
A2 |
2973 |
2941 |
0.989 |
232 |
1829 |
|
|
13 |
A2 |
1456 |
1470 |
1.009 |
232 |
1830 |
|
|
14 |
A2 |
986 |
985 |
0.999 |
232 |
1831 |
|
|
15 |
A2 |
598 |
617 |
1.032 |
232 |
1832 |
|
|
17 |
B1 |
3077 |
3051 |
0.992 |
232 |
1833 |
|
|
18 |
B1 |
2975 |
2941 |
0.989 |
232 |
1834 |
|
|
19 |
B1 |
1474 |
1470 |
0.998 |
232 |
1835 |
|
|
20 |
B1 |
1073 |
1068 |
0.995 |
232 |
1836 |
|
|
21 |
B1 |
1007 |
1004 |
0.997 |
232 |
1837 |
|
|
22 |
B1 |
442 |
443 |
1.003 |
232 |
1838 |
|
|
23 |
B1 |
251 |
187 |
0.746 |
232 |
1839 |
|
|
25 |
B2 |
3039 |
2941 |
0.968 |
232 |
1840 |
|
|
26 |
B2 |
2934 |
2916 |
0.994 |
232 |
1841 |
|
|
27 |
B2 |
1464 |
1470 |
1.004 |
232 |
1842 |
|
|
28 |
B2 |
1374 |
1369 |
0.997 |
232 |
1843 |
|
|
29 |
B2 |
1158 |
1191 |
1.029 |
232 |
1844 |
|
|
30 |
B2 |
943 |
968 |
1.026 |
232 |
1845 |
|
|
31 |
B2 |
821 |
848 |
1.032 |
232 |
1846 |
|
|
32 |
B2 |
588 |
554 |
0.943 |
232 |
1847 |
|
|
33 |
B2 |
179 |
187 |
1.046 |
232 |
1848 |
C5H8 |
Spiropentane |
1 |
A1 |
3028 |
3000 |
0.991 |
233 |
1849 |
|
|
2 |
A1 |
1466 |
1423 |
0.971 |
233 |
1850 |
|
|
3 |
A1 |
1034 |
1160 |
1.122 |
233 |
1851 |
|
|
4 |
A1 |
1017 |
1037 |
1.020 |
233 |
1852 |
|
|
5 |
A1 |
576 |
588 |
1.021 |
233 |
1853 |
|
|
6 |
A2 |
3096 |
3070 |
0.992 |
233 |
1854 |
|
|
7 |
A2 |
1144 |
1174 |
1.027 |
233 |
1855 |
|
|
8 |
A2 |
826 |
919 |
1.113 |
233 |
1856 |
|
|
9 |
B1 |
3094 |
3066 |
0.991 |
233 |
1857 |
|
|
10 |
B1 |
1155 |
1166 |
1.009 |
233 |
1858 |
|
|
11 |
B1 |
1003 |
888 |
0.886 |
233 |
1859 |
|
|
12 |
B1 |
285 |
300 |
1.053 |
233 |
1860 |
|
|
13 |
B2 |
3027 |
3000 |
0.991 |
233 |
1861 |
|
|
14 |
B2 |
1514 |
1521 |
1.005 |
233 |
1862 |
|
|
15 |
B2 |
1401 |
1415 |
1.010 |
233 |
1863 |
|
|
16 |
B2 |
976 |
990 |
1.015 |
233 |
1864 |
|
|
17 |
B2 |
853 |
872 |
1.022 |
233 |
1865 |
|
|
18 |
E |
3110 |
3067 |
0.986 |
233 |
1866 |
|
|
19 |
E |
3025 |
2985 |
0.987 |
233 |
1867 |
|
|
20 |
E |
1438 |
1431 |
0.995 |
233 |
1868 |
|
|
21 |
E |
1146 |
1150 |
1.003 |
233 |
1869 |
|
|
22 |
E |
1033 |
1049 |
1.015 |
233 |
1870 |
|
|
23 |
E |
853 |
870 |
1.019 |
233 |
1871 |
|
|
24 |
E |
774 |
780 |
1.008 |
233 |
1872 |
|
|
25 |
E |
296 |
308 |
1.042 |
233 |
1873 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
2981 |
2953 |
0.991 |
234 |
1874 |
|
|
2 |
A1 |
2826 |
2775 |
0.982 |
234 |
1875 |
|
|
3 |
A1 |
1481 |
1459 |
0.985 |
234 |
1876 |
|
|
4 |
A1 |
1459 |
1444 |
0.990 |
234 |
1877 |
|
|
5 |
A1 |
1175 |
1186 |
1.010 |
234 |
1878 |
|
|
6 |
A1 |
795 |
828 |
1.042 |
234 |
1879 |
|
|
7 |
A1 |
353 |
367 |
1.038 |
234 |
1880 |
|
|
8 |
A2 |
3014 |
2977 |
0.988 |
234 |
1881 |
|
|
9 |
A2 |
1467 |
1453 |
0.990 |
234 |
1882 |
|
|
10 |
A2 |
1051 |
1046 |
0.996 |
234 |
1883 |
|
|
11 |
A2 |
254 |
255 |
1.003 |
234 |
1884 |
|
|
12 |
E |
3019 |
2981 |
0.987 |
234 |
1885 |
|
|
13 |
E |
2975 |
2953 |
0.993 |
234 |
1886 |
|
|
14 |
E |
2804 |
2776 |
0.990 |
234 |
1887 |
|
|
15 |
E |
1490 |
1471 |
0.987 |
234 |
1888 |
|
|
16 |
E |
1461 |
1444 |
0.988 |
234 |
1889 |
|
|
17 |
E |
1418 |
1409 |
0.994 |
234 |
1890 |
|
|
18 |
E |
1262 |
1275 |
1.010 |
234 |
1891 |
|
|
19 |
E |
1096 |
1103 |
1.007 |
234 |
1892 |
|
|
20 |
E |
1017 |
1043 |
1.025 |
234 |
1893 |
|
|
21 |
E |
414 |
424 |
1.022 |
234 |
1894 |
|
|
22 |
E |
267 |
281 |
1.054 |
234 |
1895 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3022 |
2974 |
0.984 |
235 |
1896 |
|
|
2 |
A' |
3016 |
2953 |
0.979 |
235 |
1897 |
|
|
3 |
A' |
2977 |
2940 |
0.987 |
235 |
1898 |
|
|
4 |
A' |
2956 |
2876 |
0.973 |
235 |
1899 |
|
|
5 |
A' |
2717 |
2757 |
1.015 |
235 |
1900 |
|
|
6 |
A' |
1737 |
1752 |
1.009 |
235 |
1901 |
|
|
7 |
A' |
1493 |
1474 |
0.987 |
235 |
1902 |
|
|
8 |
A' |
1486 |
1449 |
0.975 |
235 |
1903 |
|
|
9 |
A' |
1402 |
1399 |
0.998 |
235 |
1904 |
|
|
10 |
A' |
1381 |
1381 |
1.000 |
235 |
1905 |
|
|
11 |
A' |
1283 |
1329 |
1.036 |
235 |
1906 |
|
|
12 |
A' |
1153 |
1182 |
1.025 |
235 |
1907 |
|
|
13 |
A' |
1144 |
1138 |
0.995 |
235 |
1908 |
|
|
14 |
A' |
876 |
922 |
1.052 |
235 |
1909 |
|
|
15 |
A' |
819 |
800 |
0.977 |
235 |
1910 |
|
|
16 |
A' |
528 |
632 |
1.198 |
235 |
1911 |
|
|
17 |
A' |
352 |
395 |
1.122 |
235 |
1912 |
|
|
18 |
A' |
325 |
272 |
0.838 |
235 |
1913 |
|
|
19 |
A' |
223 |
212 |
0.949 |
235 |
1914 |
|
|
20 |
A" |
3021 |
2990 |
0.990 |
235 |
1915 |
|
|
21 |
A" |
3008 |
2982 |
0.991 |
235 |
1916 |
|
|
22 |
A" |
2953 |
2885 |
0.977 |
235 |
1917 |
|
|
23 |
A" |
1474 |
1467 |
0.995 |
235 |
1918 |
|
|
24 |
A" |
1470 |
1452 |
0.987 |
235 |
1919 |
|
|
25 |
A" |
1377 |
1437 |
1.044 |
235 |
1920 |
|
|
26 |
A" |
1318 |
1290 |
0.979 |
235 |
1921 |
|
|
27 |
A" |
1093 |
1109 |
1.014 |
235 |
1922 |
|
|
28 |
A" |
953 |
965 |
1.013 |
235 |
1923 |
|
|
29 |
A" |
933 |
942 |
1.010 |
235 |
1924 |
|
|
30 |
A" |
911 |
933 |
1.024 |
235 |
1925 |
|
|
31 |
A" |
324 |
351 |
1.082 |
235 |
1926 |
|
|
32 |
A" |
208 |
227 |
1.092 |
235 |
1927 |
|
|
33 |
A" |
67 |
75 |
1.120 |
235 |
1928 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
413 |
1442 |
3.490 |
236 |
1929 |
|
|
|
Ag |
814 |
1151 |
1.415 |
236 |
1930 |
|
|
|
Au |
1270 |
1257 |
0.990 |
236 |
1931 |
|
|
|
Bg |
1481 |
1300 |
0.878 |
236 |
1932 |
|
|
|
Bu |
2935 |
2870 |
0.978 |
236 |
1933 |
|
|
|
Bu |
2948 |
1461 |
0.496 |
236 |
1934 |
|
|
|
Bu |
3007 |
271 |
0.090 |
236 |
1935 |
C4H9N |
Pyrrolidine |
1 |
A' |
3392 |
3356 |
0.989 |
237 |
1936 |
|
|
2 |
A' |
3029 |
2975 |
0.982 |
237 |
1937 |
|
|
3 |
A' |
2995 |
2927 |
0.977 |
237 |
1938 |
|
|
4 |
A' |
2981 |
2889 |
0.969 |
237 |
1939 |
|
|
5 |
A' |
2827 |
2824 |
0.999 |
237 |
1940 |
|
|
6 |
A' |
1506 |
1484 |
0.985 |
237 |
1941 |
|
|
7 |
A' |
1483 |
1447 |
0.976 |
237 |
1942 |
|
|
8 |
A' |
1361 |
1292 |
0.949 |
237 |
1943 |
|
|
9 |
A' |
1287 |
1273 |
0.989 |
237 |
1944 |
|
|
10 |
A' |
1210 |
1228 |
1.014 |
237 |
1945 |
|
|
11 |
A' |
1198 |
1181 |
0.985 |
237 |
1946 |
|
|
12 |
A' |
1035 |
974 |
0.941 |
237 |
1947 |
|
|
13 |
A' |
987 |
920 |
0.933 |
237 |
1948 |
|
|
14 |
A' |
909 |
901 |
0.992 |
237 |
1949 |
|
|
15 |
A' |
867 |
871 |
1.005 |
237 |
1950 |
|
|
16 |
A' |
847 |
832 |
0.982 |
237 |
1951 |
|
|
17 |
A' |
748 |
789 |
1.056 |
237 |
1952 |
|
|
18 |
A' |
568 |
579 |
1.019 |
237 |
1953 |
|
|
19 |
A' |
297 |
299 |
1.008 |
237 |
1954 |
|
|
20 |
A" |
3007 |
2967 |
0.987 |
237 |
1955 |
|
|
21 |
A" |
2986 |
2916 |
0.977 |
237 |
1956 |
|
|
22 |
A" |
2976 |
2879 |
0.968 |
237 |
1957 |
|
|
23 |
A" |
2820 |
2818 |
0.999 |
237 |
1958 |
|
|
24 |
A" |
1488 |
1459 |
0.981 |
237 |
1959 |
|
|
25 |
A" |
1466 |
1412 |
0.963 |
237 |
1960 |
|
|
26 |
A" |
1404 |
1341 |
0.955 |
237 |
1961 |
|
|
27 |
A" |
1299 |
1268 |
0.976 |
237 |
1962 |
|
|
28 |
A" |
1274 |
1211 |
0.950 |
237 |
1963 |
|
|
29 |
A" |
1220 |
1203 |
0.986 |
237 |
1964 |
|
|
30 |
A" |
1170 |
1171 |
1.001 |
237 |
1965 |
|
|
31 |
A" |
1099 |
1099 |
1.000 |
237 |
1966 |
|
|
32 |
A" |
1058 |
1023 |
0.967 |
237 |
1967 |
|
|
33 |
A" |
897 |
883 |
0.984 |
237 |
1968 |
|
|
34 |
A" |
852 |
848 |
0.996 |
237 |
1969 |
|
|
35 |
A" |
623 |
600 |
0.963 |
237 |
1970 |
|
|
36 |
A" |
81 |
65 |
0.800 |
237 |
1971 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3341 |
3345 |
1.001 |
238 |
1972 |
|
|
2 |
A' |
3041 |
2975 |
0.978 |
238 |
1973 |
|
|
3 |
A' |
3009 |
2950 |
0.980 |
238 |
1974 |
|
|
4 |
A' |
2986 |
2918 |
0.977 |
238 |
1975 |
|
|
5 |
A' |
2971 |
2905 |
0.978 |
238 |
1976 |
|
|
6 |
A' |
2863 |
2887 |
1.008 |
238 |
1977 |
|
|
7 |
A' |
1664 |
1614 |
0.970 |
238 |
1978 |
|
|
8 |
A' |
1477 |
1467 |
0.993 |
238 |
1979 |
|
|
9 |
A' |
1454 |
1443 |
0.993 |
238 |
1980 |
|
|
10 |
A' |
1339 |
1390 |
1.038 |
238 |
1981 |
|
|
11 |
A' |
1250 |
1291 |
1.033 |
238 |
1982 |
|
|
12 |
A' |
1211 |
1237 |
1.022 |
238 |
1983 |
|
|
13 |
A' |
1121 |
1137 |
1.015 |
238 |
1984 |
|
|
14 |
A' |
1050 |
1120 |
1.067 |
238 |
1985 |
|
|
15 |
A' |
933 |
1050 |
1.125 |
238 |
1986 |
|
|
16 |
A' |
857 |
965 |
1.126 |
238 |
1987 |
|
|
17 |
A' |
833 |
788 |
0.945 |
238 |
1988 |
|
|
18 |
A' |
793 |
752 |
0.948 |
238 |
1989 |
|
|
19 |
A' |
663 |
606 |
0.914 |
238 |
1990 |
|
|
20 |
A' |
396 |
448 |
1.130 |
238 |
1991 |
|
|
21 |
A' |
129 |
174 |
1.351 |
238 |
1992 |
|
|
22 |
A" |
3414 |
3411 |
0.999 |
238 |
1993 |
|
|
23 |
A" |
3015 |
2970 |
0.985 |
238 |
1994 |
|
|
24 |
A" |
2967 |
2957 |
0.997 |
238 |
1995 |
|
|
25 |
A" |
1448 |
1452 |
1.003 |
238 |
1996 |
|
|
26 |
A" |
1311 |
1213 |
0.925 |
238 |
1997 |
|
|
27 |
A" |
1244 |
1185 |
0.953 |
238 |
1998 |
|
|
28 |
A" |
1229 |
1168 |
0.950 |
238 |
1999 |
|
|
29 |
A" |
1195 |
1036 |
0.867 |
238 |
2000 |
|
|
30 |
A" |
1143 |
|
|
238 |
2001 |
|
|
31 |
A" |
1014 |
925 |
0.912 |
238 |
2002 |
|
|
32 |
A" |
906 |
912 |
1.006 |
238 |
2003 |
|
|
33 |
A" |
884 |
883 |
0.999 |
238 |
2004 |
|
|
34 |
A" |
749 |
788 |
1.052 |
238 |
2005 |
|
|
35 |
A" |
381 |
354 |
0.930 |
238 |
2006 |
|
|
36 |
A" |
267 |
240 |
0.898 |
238 |
2007 |
C8H8 |
cubane |
1 |
A1g |
3037 |
2995 |
0.986 |
239 |
2008 |
|
|
2 |
A1g |
978 |
1002 |
1.024 |
239 |
2009 |
|
|
3 |
A2u |
2999 |
2978 |
0.993 |
239 |
2010 |
|
|
4 |
A2u |
1019 |
839 |
0.823 |
239 |
2011 |
|
|
5 |
Eg |
1064 |
1083 |
1.017 |
239 |
2012 |
|
|
6 |
Eg |
880 |
912 |
1.036 |
239 |
2013 |
|
|
7 |
Eu |
1140 |
1151 |
1.010 |
239 |
2014 |
|
|
8 |
Eu |
603 |
617 |
1.023 |
239 |
2015 |
|
|
9 |
T1g |
1119 |
1130 |
1.010 |
239 |
2016 |
|
|
10 |
T1u |
3016 |
2978 |
0.987 |
239 |
2017 |
|
|
11 |
T1u |
1221 |
1230 |
1.008 |
239 |
2018 |
|
|
12 |
T1u |
830 |
853 |
1.027 |
239 |
2019 |
|
|
13 |
T2g |
3009 |
2970 |
0.987 |
239 |
2020 |
|
|
14 |
T2g |
1172 |
1182 |
1.009 |
239 |
2021 |
|
|
15 |
T2g |
805 |
821 |
1.020 |
239 |
2022 |
|
|
16 |
T2g |
663 |
665 |
1.003 |
239 |
2023 |
|
|
17 |
T2u |
1018 |
1036 |
1.017 |
239 |
2024 |
|
|
18 |
T2u |
803 |
829 |
1.033 |
239 |
2025 |
C5H12 |
Pentane |
1 |
A1 |
3007 |
2973 |
0.989 |
240 |
2026 |
|
|
2 |
A1 |
2949 |
2892 |
0.981 |
240 |
2027 |
|
|
3 |
A1 |
2938 |
2866 |
0.975 |
240 |
2028 |
|
|
4 |
A1 |
2920 |
2866 |
0.982 |
240 |
2029 |
|
|
5 |
A1 |
1496 |
1480 |
0.990 |
240 |
2030 |
|
|
6 |
A1 |
1479 |
1463 |
0.990 |
240 |
2031 |
|
|
7 |
A1 |
1464 |
1450 |
0.991 |
240 |
2032 |
|
|
8 |
A1 |
1389 |
1379 |
0.993 |
240 |
2033 |
|
|
9 |
A1 |
1340 |
1346 |
1.004 |
240 |
2034 |
|
|
10 |
A1 |
1130 |
1144 |
1.013 |
240 |
2035 |
|
|
11 |
A1 |
1006 |
1036 |
1.030 |
240 |
2036 |
|
|
12 |
A1 |
849 |
867 |
1.021 |
240 |
2037 |
|
|
13 |
A1 |
385 |
401 |
1.041 |
240 |
2038 |
|
|
14 |
A1 |
173 |
179 |
1.032 |
240 |
2039 |
|
|
15 |
A2 |
3003 |
2967 |
0.988 |
240 |
2040 |
|
|
16 |
A2 |
2951 |
2908 |
0.985 |
240 |
2041 |
|
|
17 |
A2 |
1483 |
1462 |
0.986 |
240 |
2042 |
|
|
18 |
A2 |
1315 |
1346 |
1.023 |
240 |
2043 |
|
|
19 |
A2 |
1246 |
1269 |
1.018 |
240 |
2044 |
|
|
20 |
A2 |
982 |
993 |
1.011 |
240 |
2045 |
|
|
21 |
A2 |
753 |
766 |
1.017 |
240 |
2046 |
|
|
22 |
A2 |
238 |
210 |
0.882 |
240 |
2047 |
|
|
23 |
A2 |
109 |
131 |
1.203 |
240 |
2048 |
|
|
24 |
B1 |
3005 |
2965 |
0.987 |
240 |
2049 |
|
|
25 |
B1 |
2970 |
2930 |
0.987 |
240 |
2050 |
|
|
26 |
B1 |
2934 |
2930 |
0.999 |
240 |
2051 |
|
|
27 |
B1 |
1482 |
1469 |
0.991 |
240 |
2052 |
|
|
28 |
B1 |
1308 |
1303 |
0.996 |
240 |
2053 |
|
|
29 |
B1 |
1181 |
1170 |
0.991 |
240 |
2054 |
|
|
30 |
B1 |
856 |
858 |
1.003 |
240 |
2055 |
|
|
31 |
B1 |
719 |
727 |
1.011 |
240 |
2056 |
|
|
32 |
B1 |
230 |
215 |
0.933 |
240 |
2057 |
|
|
33 |
B1 |
113 |
88 |
0.777 |
240 |
2058 |
|
|
34 |
B2 |
3006 |
2965 |
0.986 |
240 |
2059 |
|
|
35 |
B2 |
2948 |
2879 |
0.977 |
240 |
2060 |
|
|
36 |
B2 |
2929 |
2866 |
0.978 |
240 |
2061 |
|
|
37 |
B2 |
1488 |
1476 |
0.992 |
240 |
2062 |
|
|
38 |
B2 |
1468 |
1456 |
0.992 |
240 |
2063 |
|
|
39 |
B2 |
1389 |
1389 |
1.000 |
240 |
2064 |
|
|
40 |
B2 |
1361 |
1379 |
1.013 |
240 |
2065 |
|
|
41 |
B2 |
1271 |
1269 |
0.999 |
240 |
2066 |
|
|
42 |
B2 |
1039 |
1073 |
1.032 |
240 |
2067 |
|
|
43 |
B2 |
1008 |
1024 |
1.016 |
240 |
2068 |
|
|
44 |
B2 |
896 |
910 |
1.016 |
240 |
2069 |
|
|
45 |
B2 |
387 |
406 |
1.048 |
240 |
2070 |
C6H12 |
Cyclohexane |
1 |
A1g |
2970 |
2930 |
0.986 |
241 |
2071 |
|
|
2 |
A1g |
2921 |
2852 |
0.976 |
241 |
2072 |
|
|
3 |
A1g |
1487 |
1465 |
0.985 |
241 |
2073 |
|
|
4 |
A1g |
1152 |
1157 |
1.004 |
241 |
2074 |
|
|
5 |
A1g |
773 |
802 |
1.038 |
241 |
2075 |
|
|
6 |
A1g |
367 |
383 |
1.043 |
241 |
2076 |
|
|
7 |
A1u |
1337 |
1383 |
1.034 |
241 |
2077 |
|
|
8 |
A1u |
1105 |
1157 |
1.047 |
241 |
2078 |
|
|
9 |
A1u |
1050 |
1057 |
1.007 |
241 |
2079 |
|
|
10 |
A2g |
1320 |
1437 |
1.088 |
241 |
2080 |
|
|
11 |
A2g |
1056 |
1090 |
1.032 |
241 |
2081 |
|
|
12 |
A2u |
2977 |
2915 |
0.979 |
241 |
2082 |
|
|
13 |
A2u |
2931 |
2860 |
0.976 |
241 |
2083 |
|
|
14 |
A2u |
1473 |
1437 |
0.975 |
241 |
2084 |
|
|
15 |
A2u |
1014 |
1030 |
1.016 |
241 |
2085 |
|
|
16 |
A2u |
515 |
523 |
1.016 |
241 |
2086 |
|
|
17 |
Eg |
2968 |
2930 |
0.987 |
241 |
2087 |
|
|
18 |
Eg |
2927 |
2897 |
0.990 |
241 |
2088 |
|
|
19 |
Eg |
1461 |
1443 |
0.988 |
241 |
2089 |
|
|
20 |
Eg |
1343 |
1347 |
1.003 |
241 |
2090 |
|
|
21 |
Eg |
1262 |
1266 |
1.003 |
241 |
2091 |
|
|
22 |
Eg |
1003 |
1027 |
1.023 |
241 |
2092 |
|
|
23 |
Eg |
772 |
785 |
1.017 |
241 |
2093 |
|
|
24 |
Eg |
418 |
426 |
1.018 |
241 |
2094 |
|
|
25 |
Eu |
2966 |
2933 |
0.989 |
241 |
2095 |
|
|
26 |
Eu |
2919 |
2863 |
0.981 |
241 |
2096 |
|
|
27 |
Eu |
1465 |
1457 |
0.995 |
241 |
2097 |
|
|
28 |
Eu |
1352 |
1355 |
1.002 |
241 |
2098 |
|
|
29 |
Eu |
1262 |
1261 |
0.999 |
241 |
2099 |
|
|
30 |
Eu |
898 |
907 |
1.010 |
241 |
2100 |
|
|
31 |
Eu |
833 |
863 |
1.036 |
241 |
2101 |
|
|
32 |
Eu |
223 |
248 |
1.114 |
241 |
2102 |