H2 |
Hydrogen diatomic |
1 |
Σg |
4586 |
4161 |
0.907 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1426 |
1360 |
0.953 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
337 |
346 |
1.026 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1174 |
1133 |
0.965 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
155 |
158 |
1.014 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
2116 |
1987 |
0.939 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1543 |
1432 |
0.928 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2485 |
2269 |
0.913 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1723 |
1625 |
0.943 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
3032 |
2733 |
0.901 |
10 |
10 |
|
|
1 |
Σ |
3348 |
|
|
10 |
11 |
C2 |
Carbon diatomic |
1 |
Σg |
1902 |
1827 |
0.961 |
11 |
12 |
SiH |
Silylidyne |
1 |
Σ |
2122 |
1971 |
0.929 |
12 |
13 |
NH |
Imidogen |
1 |
Σ |
3505 |
3126 |
0.892 |
13 |
14 |
CN |
Cyano radical |
1 |
Σ |
2017 |
2042 |
1.012 |
14 |
15 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2727 |
2330 |
0.855 |
15 |
16 |
|
|
1 |
Σg |
1936 |
1733 |
0.895 |
15 |
17 |
PH |
phosphorus monohydride |
1 |
Σ |
2495 |
2276 |
0.912 |
16 |
18 |
|
|
1 |
Σ |
2506 |
2319 |
0.926 |
16 |
19 |
PN |
Phosphorus mononitride |
1 |
Σ |
1587 |
1323 |
0.834 |
17 |
20 |
P2 |
Phosphorus diatomic |
1 |
Σg |
909 |
775 |
0.852 |
18 |
21 |
OH |
Hydroxyl radical |
1 |
Σ |
4032 |
3570 |
0.885 |
19 |
22 |
LiO |
lithium oxide |
1 |
Σ |
843 |
799 |
0.948 |
20 |
23 |
BeO |
beryllium oxide |
1 |
Σ |
1722 |
1435 |
0.833 |
21 |
24 |
BO |
boron monoxide |
1 |
Σ |
2076 |
1862 |
0.897 |
22 |
25 |
CO |
Carbon monoxide |
1 |
Σ |
2421 |
2143 |
0.885 |
23 |
26 |
|
|
1 |
Σ |
1786 |
|
|
23 |
27 |
NaO |
sodium monoxide |
1 |
Σ |
522 |
|
|
24 |
28 |
MgO |
magnesium oxide |
1 |
Σ |
805 |
775 |
0.963 |
25 |
29 |
SiO |
Silicon monoxide |
1 |
Σ |
1396 |
1230 |
0.881 |
26 |
30 |
HS |
Mercapto radical |
1 |
Σ |
2834 |
2599 |
0.917 |
27 |
31 |
BeS |
beryllium sulfide |
1 |
Σ |
1063 |
986 |
0.927 |
28 |
32 |
BS |
boron sulfide |
1 |
Σ |
1251 |
1167 |
0.933 |
29 |
33 |
CS |
carbon monosulfide |
1 |
Σ |
1419 |
1272 |
0.897 |
30 |
34 |
SO |
Sulfur monoxide |
1 |
Σ |
1336 |
1138 |
0.852 |
31 |
35 |
|
|
1 |
Σ |
1350 |
1054 |
0.781 |
31 |
36 |
MgS |
magnesium sulfide |
1 |
Σ |
547 |
523 |
0.956 |
32 |
37 |
AlS |
Aluminum sulfide |
1 |
Σ |
606 |
610 |
1.008 |
33 |
38 |
SiS |
silicon monosulfide |
1 |
Σ |
812 |
744 |
0.917 |
34 |
39 |
S2 |
Sulfur diatomic |
1 |
Σg |
815 |
720 |
0.884 |
35 |
40 |
HF |
Hydrogen fluoride |
1 |
Σ |
4465 |
3961 |
0.887 |
36 |
41 |
LiF |
lithium fluoride |
1 |
Σ |
934 |
896 |
0.960 |
37 |
42 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1307 |
|
|
38 |
43 |
CF |
Fluoromethylidyne |
1 |
Σ |
1410 |
1286 |
0.912 |
39 |
44 |
NF |
nitrogen fluoride |
1 |
Σ |
1261 |
1123 |
0.891 |
40 |
45 |
F2 |
Fluorine diatomic |
1 |
Σg |
1271 |
894 |
0.704 |
41 |
46 |
NaF |
sodium fluoride |
1 |
Σ |
543 |
529 |
0.974 |
42 |
47 |
AlF |
Aluminum monofluoride |
1 |
Σ |
822 |
793 |
0.964 |
43 |
48 |
SiF |
silicon monofluoride |
1 |
Σ |
891 |
848 |
0.952 |
44 |
49 |
SF |
Monosulfur monofluoride |
1 |
Σ |
919 |
829 |
0.902 |
45 |
50 |
HCl |
Hydrogen chloride |
1 |
Σ |
3136 |
2886 |
0.920 |
46 |
51 |
LiCl |
lithium chloride |
1 |
Σ |
641 |
634 |
0.989 |
47 |
52 |
BeCl |
beryllium monochloride |
1 |
Σ |
843 |
847 |
1.004 |
48 |
53 |
BCl |
boron monochloride |
1 |
Σ |
849 |
829 |
0.977 |
49 |
54 |
CCl |
carbon monochloride |
1 |
Σ |
866 |
866 |
1.000 |
50 |
55 |
ClO |
Monochlorine monoxide |
1 |
Σ |
845 |
843 |
0.997 |
51 |
56 |
ClF |
Chlorine monofluoride |
1 |
Σ |
918 |
773 |
0.843 |
52 |
57 |
NaCl |
Sodium Chloride |
1 |
Σ |
355 |
361 |
1.017 |
53 |
58 |
AlCl |
Aluminum monochloride |
1 |
Σ |
472 |
478 |
1.012 |
54 |
59 |
SiCl |
Clorosilylidyne |
1 |
Σ |
525 |
531 |
1.011 |
55 |
60 |
SCl |
sulfur monochloride |
1 |
Σ |
592 |
577 |
0.975 |
56 |
61 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
614 |
554 |
0.903 |
57 |
62 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2280 |
2159 |
0.947 |
58 |
63 |
|
|
3 |
Πu |
743 |
698 |
0.940 |
58 |
64 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1669 |
1572 |
0.942 |
59 |
65 |
|
|
3 |
Πu |
458 |
440 |
0.960 |
59 |
66 |
BH2 |
boron dihydride |
2 |
A1 |
1099 |
954 |
0.867 |
60 |
67 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1919 |
1770 |
0.923 |
61 |
68 |
|
|
2 |
A1 |
817 |
760 |
0.930 |
61 |
69 |
|
|
3 |
B2 |
1938 |
1807 |
0.932 |
61 |
70 |
SiH2 |
silicon dihydride |
1 |
A1 |
2151 |
1996 |
0.928 |
62 |
71 |
|
|
2 |
A1 |
1101 |
999 |
0.907 |
62 |
72 |
|
|
3 |
B2 |
2141 |
1993 |
0.931 |
62 |
73 |
NH2 |
Amino radical |
1 |
A1 |
3601 |
3219 |
0.894 |
63 |
74 |
|
|
2 |
A1 |
1637 |
1497 |
0.915 |
63 |
75 |
|
|
3 |
B2 |
3690 |
3301 |
0.895 |
63 |
76 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3613 |
3312 |
0.917 |
64 |
77 |
|
|
2 |
Σ |
2405 |
2089 |
0.869 |
64 |
78 |
|
|
3 |
Π |
879 |
712 |
0.810 |
64 |
79 |
HNC |
hydrogen isocyanide |
1 |
Σ |
4043 |
3653 |
0.904 |
65 |
80 |
|
|
2 |
Σ |
2282 |
2029 |
0.889 |
65 |
81 |
|
|
3 |
Π |
542 |
477 |
0.880 |
65 |
82 |
HCP |
Phosphaethyne |
1 |
Σ |
3515 |
3217 |
0.915 |
66 |
83 |
|
|
2 |
Σ |
1461 |
1278 |
0.875 |
66 |
84 |
|
|
3 |
Π |
820 |
674 |
0.822 |
66 |
85 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2306 |
2095 |
0.909 |
67 |
86 |
|
|
2 |
A' |
1384 |
1188 |
0.859 |
67 |
87 |
|
|
3 |
A' |
1095 |
986 |
0.900 |
67 |
88 |
H2O |
Water |
1 |
A1 |
4121 |
3657 |
0.888 |
68 |
89 |
|
|
2 |
A1 |
1745 |
1595 |
0.914 |
68 |
90 |
|
|
3 |
B2 |
4223 |
3756 |
0.889 |
68 |
91 |
LiOH |
lithium hydroxide |
1 |
Σ |
4316 |
3688 |
0.854 |
69 |
92 |
|
|
2 |
Σ |
967 |
871 |
0.901 |
69 |
93 |
|
|
3 |
Π |
364 |
257 |
0.705 |
69 |
94 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1319 |
1246 |
0.944 |
70 |
95 |
HBO |
Boron hydride oxide |
1 |
Σ |
2987 |
2850 |
0.954 |
71 |
96 |
|
|
2 |
Σ |
1997 |
1826 |
0.914 |
71 |
97 |
|
|
3 |
Π |
860 |
756 |
0.879 |
71 |
98 |
HCO |
Formyl radical |
1 |
A' |
2865 |
2434 |
0.850 |
72 |
99 |
|
|
2 |
A' |
2115 |
1868 |
0.883 |
72 |
100 |
|
|
3 |
A' |
1220 |
1081 |
0.886 |
72 |
101 |
HNO |
Nitrosyl hydride |
1 |
A' |
3311 |
2684 |
0.811 |
73 |
102 |
|
|
2 |
A' |
1935 |
1565 |
0.809 |
73 |
103 |
|
|
3 |
A' |
1707 |
1501 |
0.879 |
73 |
104 |
HO2 |
Hydroperoxy radical |
1 |
A' |
4050 |
3436 |
0.849 |
74 |
105 |
|
|
2 |
A' |
1602 |
1392 |
0.868 |
74 |
106 |
|
|
3 |
A' |
1257 |
1098 |
0.873 |
74 |
107 |
CO2 |
Carbon dioxide |
1 |
Σg |
1509 |
1333 |
0.883 |
75 |
108 |
|
|
2 |
Σu |
2549 |
2349 |
0.922 |
75 |
109 |
|
|
3 |
Πu |
775 |
667 |
0.861 |
75 |
110 |
N2O |
Nitrous oxide |
1 |
Σ |
2602 |
2224 |
0.855 |
76 |
111 |
|
|
2 |
Σ |
1379 |
1285 |
0.932 |
76 |
112 |
|
|
3 |
Π |
715 |
589 |
0.823 |
76 |
113 |
NaOH |
sodium hydroxide |
1 |
Σ |
4266 |
3637 |
0.853 |
77 |
114 |
|
|
2 |
Σ |
568 |
540 |
0.951 |
77 |
115 |
|
|
3 |
Π |
304 |
300 |
0.988 |
77 |
116 |
SiO2 |
silicon dioxide |
2 |
Σu |
1592 |
1416 |
0.890 |
78 |
117 |
|
|
3 |
Πu |
347 |
273 |
0.784 |
78 |
118 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2855 |
2615 |
0.916 |
79 |
119 |
|
|
2 |
A1 |
1313 |
1183 |
0.901 |
79 |
120 |
|
|
3 |
B2 |
2865 |
2626 |
0.917 |
79 |
121 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2935 |
2736 |
0.932 |
80 |
122 |
|
|
2 |
Σ |
1237 |
1172 |
0.948 |
80 |
123 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2281 |
2062 |
0.904 |
81 |
124 |
|
|
2 |
Σ |
892 |
859 |
0.963 |
81 |
125 |
|
|
3 |
Π |
593 |
520 |
0.877 |
81 |
126 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1371 |
1151 |
0.840 |
82 |
127 |
|
|
2 |
A1 |
605 |
518 |
0.856 |
82 |
128 |
|
|
3 |
B2 |
1564 |
1362 |
0.871 |
82 |
129 |
CS2 |
Carbon disulfide |
1 |
Σg |
721 |
658 |
0.913 |
83 |
130 |
|
|
2 |
Σu |
1575 |
1535 |
0.974 |
83 |
131 |
|
|
3 |
Πu |
452 |
397 |
0.878 |
83 |
132 |
SSO |
Disulfur monoxide |
1 |
A' |
1378 |
1166 |
0.847 |
84 |
133 |
|
|
2 |
A' |
787 |
679 |
0.863 |
84 |
134 |
|
|
3 |
A' |
437 |
380 |
0.870 |
84 |
135 |
HCF |
Fluoromethylene |
1 |
A' |
3012 |
2643 |
0.877 |
85 |
136 |
|
|
2 |
A' |
1539 |
1403 |
0.912 |
85 |
137 |
|
|
3 |
A' |
1323 |
1189 |
0.899 |
85 |
138 |
HOF |
Hypofluorous acid |
1 |
A' |
4095 |
3578 |
0.874 |
86 |
139 |
|
|
2 |
A' |
1594 |
1362 |
0.855 |
86 |
140 |
|
|
3 |
A' |
1182 |
893 |
0.756 |
86 |
141 |
CF2 |
Difluoromethylene |
1 |
A1 |
1378 |
1225 |
0.889 |
87 |
142 |
|
|
2 |
A1 |
743 |
667 |
0.898 |
87 |
143 |
|
|
3 |
B2 |
1279 |
1114 |
0.871 |
87 |
144 |
FNO |
Nitrosyl fluoride |
1 |
A' |
2099 |
1844 |
0.878 |
88 |
145 |
|
|
2 |
A' |
935 |
766 |
0.819 |
88 |
146 |
|
|
3 |
A' |
695 |
520 |
0.748 |
88 |
147 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1262 |
1075 |
0.851 |
89 |
148 |
|
|
2 |
A1 |
668 |
573 |
0.858 |
89 |
149 |
|
|
3 |
B2 |
1167 |
942 |
0.807 |
89 |
150 |
F2O |
Difluorine monoxide |
1 |
A1 |
1216 |
928 |
0.763 |
90 |
151 |
|
|
2 |
A1 |
595 |
461 |
0.775 |
90 |
152 |
|
|
3 |
B2 |
1211 |
831 |
0.686 |
90 |
153 |
HOCl |
hypochlorous acid |
1 |
A' |
4124 |
3609 |
0.875 |
91 |
154 |
|
|
2 |
A' |
1385 |
1239 |
0.894 |
91 |
155 |
|
|
3 |
A' |
870 |
724 |
0.833 |
91 |
156 |
ClCN |
chlorocyanogen |
1 |
Σ |
2566 |
2216 |
0.864 |
92 |
157 |
|
|
2 |
Σ |
794 |
744 |
0.937 |
92 |
158 |
|
|
3 |
Π |
456 |
378 |
0.829 |
92 |
159 |
ClNO |
Nitrosyl chloride |
1 |
A' |
2088 |
1800 |
0.862 |
93 |
160 |
|
|
2 |
A' |
666 |
596 |
0.894 |
93 |
161 |
|
|
3 |
A' |
312 |
332 |
1.064 |
93 |
162 |
OClO |
Chlorine dioxide |
1 |
A1 |
1120 |
946 |
0.844 |
94 |
163 |
|
|
2 |
A1 |
539 |
448 |
0.830 |
94 |
164 |
|
|
3 |
B2 |
1297 |
1110 |
0.856 |
94 |
165 |
CCl2 |
dichloromethylene |
1 |
A1 |
780 |
730 |
0.936 |
95 |
166 |
|
|
2 |
A1 |
362 |
335 |
0.926 |
95 |
167 |
|
|
3 |
B2 |
840 |
758 |
0.902 |
95 |
168 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
761 |
639 |
0.840 |
96 |
169 |
|
|
2 |
A1 |
340 |
296 |
0.872 |
96 |
170 |
|
|
3 |
B2 |
927 |
686 |
0.740 |
96 |
171 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
531 |
522 |
0.983 |
97 |
172 |
|
|
2 |
A1 |
215 |
201 |
0.934 |
97 |
173 |
|
|
3 |
B2 |
518 |
509 |
0.983 |
97 |
174 |
BH3 |
boron trihydride |
2 |
A2" |
1220 |
1148 |
0.940 |
98 |
175 |
|
|
3 |
E' |
2755 |
2602 |
0.944 |
98 |
176 |
|
|
4 |
E' |
1291 |
1197 |
0.927 |
98 |
177 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1999 |
1900 |
0.951 |
99 |
178 |
|
|
2 |
A2" |
758 |
698 |
0.921 |
99 |
179 |
|
|
3 |
E' |
1988 |
1883 |
0.947 |
99 |
180 |
|
|
4 |
E' |
838 |
783 |
0.935 |
99 |
181 |
C2H2 |
Acetylene |
1 |
Σg |
3673 |
3374 |
0.919 |
100 |
182 |
|
|
2 |
Σg |
2210 |
1974 |
0.893 |
100 |
183 |
|
|
3 |
Σu |
3553 |
3289 |
0.926 |
100 |
184 |
|
|
4 |
Πg |
810 |
612 |
0.755 |
100 |
185 |
|
|
5 |
Πu |
870 |
730 |
0.840 |
100 |
186 |
SiH3 |
Silyl radical |
1 |
A1 |
2297 |
2136 |
0.930 |
101 |
187 |
|
|
2 |
A1 |
879 |
728 |
0.828 |
101 |
188 |
|
|
3 |
E |
2315 |
2185 |
0.944 |
101 |
189 |
|
|
4 |
E |
1006 |
922 |
0.916 |
101 |
190 |
NH3 |
Ammonia |
1 |
A1 |
3689 |
3337 |
0.905 |
102 |
191 |
|
|
2 |
A1 |
1096 |
950 |
0.867 |
102 |
192 |
|
|
3 |
E |
3814 |
3444 |
0.903 |
102 |
193 |
|
|
4 |
E |
1786 |
1627 |
0.911 |
102 |
194 |
C2N2 |
Cyanogen |
1 |
Σg |
2716 |
2330 |
0.858 |
103 |
195 |
|
|
2 |
Σg |
915 |
846 |
0.924 |
103 |
196 |
|
|
3 |
Σu |
2518 |
2158 |
0.857 |
103 |
197 |
|
|
4 |
Πg |
610 |
503 |
0.824 |
103 |
198 |
|
|
5 |
Πu |
281 |
234 |
0.833 |
103 |
199 |
PH3 |
Phosphine |
1 |
A1 |
2533 |
2323 |
0.917 |
104 |
200 |
|
|
2 |
A1 |
1097 |
992 |
0.905 |
104 |
201 |
|
|
3 |
E |
2532 |
2328 |
0.919 |
104 |
202 |
|
|
4 |
E |
1232 |
1118 |
0.908 |
104 |
203 |
P4 |
Phosphorus tetramer |
1 |
A1 |
675 |
601 |
0.890 |
105 |
204 |
|
|
2 |
E |
397 |
361 |
0.909 |
105 |
205 |
|
|
3 |
T2 |
507 |
467 |
0.921 |
105 |
206 |
H2CO |
Formaldehyde |
1 |
A1 |
3087 |
2782 |
0.901 |
106 |
207 |
|
|
2 |
A1 |
1991 |
1746 |
0.877 |
106 |
208 |
|
|
3 |
A1 |
1648 |
1500 |
0.910 |
106 |
209 |
|
|
4 |
B1 |
1335 |
1167 |
0.874 |
106 |
210 |
|
|
5 |
B2 |
3156 |
2843 |
0.901 |
106 |
211 |
|
|
6 |
B2 |
1367 |
1249 |
0.914 |
106 |
212 |
H2O2 |
Hydrogen peroxide |
1 |
A |
4128 |
3599 |
0.872 |
107 |
213 |
|
|
2 |
A |
1605 |
1402 |
0.873 |
107 |
214 |
|
|
3 |
A |
1161 |
877 |
0.755 |
107 |
215 |
|
|
4 |
A |
412 |
371 |
0.901 |
107 |
216 |
|
|
5 |
B |
4127 |
3608 |
0.874 |
107 |
217 |
|
|
6 |
B |
1488 |
1266 |
0.851 |
107 |
218 |
HNCO |
Isocyanic acid |
1 |
A' |
3871 |
3538 |
0.914 |
108 |
219 |
|
|
2 |
A' |
2442 |
2269 |
0.929 |
108 |
220 |
|
|
3 |
A' |
1443 |
1327 |
0.920 |
108 |
221 |
|
|
4 |
A' |
893 |
777 |
0.870 |
108 |
222 |
|
|
5 |
A' |
606 |
577 |
0.953 |
108 |
223 |
|
|
6 |
A" |
727 |
656 |
0.902 |
108 |
224 |
HNO2 |
Nitrous acid |
1 |
A' |
4118 |
3591 |
0.872 |
109 |
225 |
|
|
2 |
A' |
2009 |
1700 |
0.846 |
109 |
226 |
|
|
3 |
A' |
1494 |
1263 |
0.846 |
109 |
227 |
|
|
4 |
A' |
1063 |
790 |
0.744 |
109 |
228 |
|
|
5 |
A' |
796 |
596 |
0.748 |
109 |
229 |
|
|
6 |
A" |
591 |
543 |
0.918 |
109 |
230 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2301 |
2060 |
0.895 |
110 |
231 |
|
|
2 |
Σg |
623 |
585 |
0.939 |
110 |
232 |
|
|
3 |
Σu |
2118 |
1898 |
0.896 |
110 |
233 |
|
|
4 |
Πg |
535 |
410 |
0.767 |
110 |
234 |
|
|
5 |
Πu |
234 |
213 |
0.912 |
110 |
235 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3238 |
2971 |
0.918 |
111 |
236 |
|
|
2 |
A1 |
1621 |
1456 |
0.898 |
111 |
237 |
|
|
3 |
A1 |
1172 |
1059 |
0.904 |
111 |
238 |
|
|
4 |
B1 |
1156 |
990 |
0.857 |
111 |
239 |
|
|
5 |
B2 |
3324 |
3025 |
0.910 |
111 |
240 |
|
|
6 |
B2 |
1075 |
991 |
0.922 |
111 |
241 |
H2S2 |
Disulfane |
1 |
A |
2834 |
2556 |
0.902 |
112 |
242 |
|
|
2 |
A |
979 |
882 |
0.901 |
112 |
243 |
|
|
3 |
A |
560 |
515 |
0.918 |
112 |
244 |
|
|
4 |
A |
446 |
417 |
0.935 |
112 |
245 |
|
|
5 |
B |
2835 |
2559 |
0.903 |
112 |
246 |
|
|
6 |
B |
982 |
878 |
0.894 |
112 |
247 |
SO3 |
Sulfur trioxide |
1 |
A1' |
1236 |
1065 |
0.862 |
113 |
248 |
|
|
2 |
A2" |
581 |
498 |
0.857 |
113 |
249 |
|
|
3 |
E' |
1568 |
1391 |
0.887 |
113 |
250 |
|
|
4 |
E' |
595 |
530 |
0.890 |
113 |
251 |
BHF2 |
Difluoroborane |
1 |
A1 |
2792 |
2621 |
0.939 |
114 |
252 |
|
|
2 |
A1 |
1242 |
1164 |
0.937 |
114 |
253 |
|
|
3 |
A1 |
577 |
542 |
0.940 |
114 |
254 |
|
|
4 |
B1 |
1003 |
924 |
0.921 |
114 |
255 |
|
|
5 |
B2 |
1511 |
1402 |
0.928 |
114 |
256 |
CF2O |
Carbonic difluoride |
1 |
A1 |
2141 |
1928 |
0.901 |
115 |
257 |
|
|
2 |
A1 |
1095 |
965 |
0.882 |
115 |
258 |
|
|
3 |
A1 |
642 |
584 |
0.909 |
115 |
259 |
|
|
4 |
B1 |
888 |
774 |
0.872 |
115 |
260 |
|
|
5 |
B2 |
1435 |
1249 |
0.870 |
115 |
261 |
|
|
6 |
B2 |
691 |
626 |
0.906 |
115 |
262 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
951 |
888 |
0.934 |
116 |
263 |
|
|
2 |
A2" |
737 |
691 |
0.937 |
116 |
264 |
|
|
3 |
E' |
1561 |
1449 |
0.928 |
116 |
265 |
|
|
4 |
E' |
512 |
480 |
0.938 |
116 |
266 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1938 |
1523 |
0.786 |
117 |
267 |
|
|
2 |
Ag |
1275 |
1018 |
0.798 |
117 |
268 |
|
|
3 |
Ag |
717 |
603 |
0.841 |
117 |
269 |
|
|
4 |
Au |
436 |
364 |
0.836 |
117 |
270 |
|
|
5 |
Bu |
1218 |
991 |
0.814 |
117 |
271 |
|
|
6 |
Bu |
488 |
423 |
0.867 |
117 |
272 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1210 |
1089 |
0.900 |
118 |
273 |
|
|
2 |
A1 |
769 |
701 |
0.911 |
118 |
274 |
|
|
3 |
E |
1415 |
1260 |
0.890 |
118 |
275 |
|
|
4 |
E |
561 |
509 |
0.907 |
118 |
276 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1236 |
1032 |
0.835 |
119 |
277 |
|
|
2 |
A1 |
771 |
647 |
0.840 |
119 |
278 |
|
|
3 |
E |
1201 |
907 |
0.755 |
119 |
279 |
|
|
4 |
E |
593 |
492 |
0.830 |
119 |
280 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
733 |
690 |
0.941 |
120 |
281 |
|
|
2 |
A2" |
314 |
297 |
0.944 |
120 |
282 |
|
|
3 |
E' |
1006 |
935 |
0.930 |
120 |
283 |
|
|
4 |
E' |
260 |
263 |
1.010 |
120 |
284 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
973 |
892 |
0.917 |
121 |
285 |
|
|
2 |
A1 |
534 |
487 |
0.913 |
121 |
286 |
|
|
3 |
E |
937 |
860 |
0.918 |
121 |
287 |
|
|
4 |
E |
382 |
344 |
0.901 |
121 |
288 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2812 |
2617 |
0.931 |
122 |
289 |
|
|
2 |
A1 |
754 |
740 |
0.981 |
122 |
290 |
|
|
4 |
B1 |
846 |
784 |
0.927 |
122 |
291 |
|
|
5 |
B2 |
1172 |
1089 |
0.929 |
122 |
292 |
|
|
6 |
B2 |
924 |
892 |
0.966 |
122 |
293 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1515 |
1267 |
0.836 |
123 |
294 |
|
|
2 |
A1 |
939 |
793 |
0.844 |
123 |
295 |
|
|
3 |
A1 |
518 |
364 |
0.702 |
123 |
296 |
|
|
4 |
B1 |
793 |
652 |
0.821 |
123 |
297 |
|
|
5 |
B2 |
1846 |
1684 |
0.912 |
123 |
298 |
|
|
6 |
B2 |
487 |
408 |
0.837 |
123 |
299 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
940 |
752 |
0.800 |
124 |
300 |
|
|
2 |
A1 |
630 |
529 |
0.839 |
124 |
301 |
|
|
3 |
A1 |
402 |
328 |
0.817 |
124 |
302 |
|
|
4 |
B1 |
380 |
328 |
0.864 |
124 |
303 |
|
|
5 |
B2 |
725 |
702 |
0.968 |
124 |
304 |
|
|
6 |
B2 |
519 |
442 |
0.851 |
124 |
305 |
C2Cl2 |
dichloroacetylene |
4 |
Πg |
486 |
333 |
0.686 |
125 |
306 |
|
|
5 |
Πu |
200 |
172 |
0.861 |
125 |
307 |
CCl2O |
Phosgene |
1 |
A1 |
2043 |
1827 |
0.894 |
126 |
308 |
|
|
2 |
A1 |
621 |
567 |
0.913 |
126 |
309 |
|
|
3 |
A1 |
323 |
285 |
0.883 |
126 |
310 |
|
|
4 |
B1 |
654 |
580 |
0.887 |
126 |
311 |
|
|
5 |
B2 |
951 |
849 |
0.893 |
126 |
312 |
|
|
6 |
B2 |
493 |
440 |
0.892 |
126 |
313 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
872 |
820 |
0.940 |
127 |
314 |
|
|
2 |
A1 |
527 |
500 |
0.949 |
127 |
315 |
|
|
3 |
A1 |
251 |
250 |
0.996 |
127 |
316 |
|
|
4 |
B1 |
282 |
260 |
0.922 |
127 |
317 |
|
|
5 |
B2 |
997 |
900 |
0.903 |
127 |
318 |
|
|
6 |
B2 |
195 |
200 |
1.024 |
127 |
319 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
488 |
471 |
0.964 |
128 |
320 |
|
|
2 |
A2" |
481 |
460 |
0.956 |
128 |
321 |
|
|
3 |
E' |
986 |
956 |
0.969 |
128 |
322 |
|
|
4 |
E' |
267 |
243 |
0.909 |
128 |
323 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
933 |
850 |
0.911 |
129 |
324 |
|
|
2 |
A1 |
452 |
450 |
0.996 |
129 |
325 |
|
|
3 |
A1 |
159 |
150 |
0.943 |
129 |
326 |
|
|
4 |
B1 |
249 |
220 |
0.883 |
129 |
327 |
|
|
5 |
B2 |
649 |
610 |
0.940 |
129 |
328 |
|
|
6 |
B2 |
216 |
200 |
0.924 |
129 |
329 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
399 |
375 |
0.940 |
130 |
330 |
|
|
2 |
A2" |
217 |
183 |
0.843 |
130 |
331 |
|
|
3 |
E' |
635 |
595 |
0.937 |
130 |
332 |
|
|
4 |
E' |
154 |
150 |
0.972 |
130 |
333 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
545 |
504 |
0.925 |
131 |
334 |
|
|
2 |
A1 |
281 |
252 |
0.897 |
131 |
335 |
|
|
3 |
E |
538 |
482 |
0.896 |
131 |
336 |
|
|
4 |
E |
204 |
198 |
0.972 |
131 |
337 |
ClSSCl |
Disulfur dichloride |
1 |
A |
562 |
546 |
0.972 |
132 |
338 |
|
|
2 |
A |
540 |
466 |
0.862 |
132 |
339 |
|
|
3 |
A |
216 |
202 |
0.934 |
132 |
340 |
|
|
4 |
A |
95 |
95 |
0.997 |
132 |
341 |
|
|
5 |
B |
540 |
461 |
0.854 |
132 |
342 |
|
|
6 |
B |
264 |
244 |
0.924 |
132 |
343 |
CH4 |
Methane |
1 |
A1 |
3148 |
2917 |
0.927 |
133 |
344 |
|
|
2 |
E |
1666 |
1534 |
0.920 |
133 |
345 |
|
|
3 |
T2 |
3246 |
3019 |
0.930 |
133 |
346 |
|
|
4 |
T2 |
1453 |
1306 |
0.899 |
133 |
347 |
SiH4 |
Silane |
1 |
A1 |
2328 |
2187 |
0.939 |
134 |
348 |
|
|
2 |
E |
1042 |
975 |
0.936 |
134 |
349 |
|
|
3 |
T2 |
2318 |
2191 |
0.945 |
134 |
350 |
|
|
4 |
T2 |
1006 |
914 |
0.909 |
134 |
351 |
CH2NH |
Methanimine |
1 |
A' |
3703 |
3263 |
0.881 |
135 |
352 |
|
|
2 |
A' |
3282 |
3024 |
0.922 |
135 |
353 |
|
|
3 |
A' |
3192 |
2914 |
0.913 |
135 |
354 |
|
|
4 |
A' |
1861 |
1638 |
0.880 |
135 |
355 |
|
|
5 |
A' |
1602 |
1452 |
0.906 |
135 |
356 |
|
|
6 |
A' |
1478 |
1344 |
0.910 |
135 |
357 |
|
|
7 |
A' |
1151 |
1058 |
0.920 |
135 |
358 |
|
|
8 |
A" |
1251 |
1127 |
0.901 |
135 |
359 |
|
|
9 |
A" |
1226 |
1061 |
0.865 |
135 |
360 |
NH2OH |
hydroxylamine |
1 |
A' |
4167 |
3650 |
0.876 |
136 |
361 |
|
|
2 |
A' |
3706 |
3294 |
0.889 |
136 |
362 |
|
|
3 |
A' |
1818 |
1605 |
0.882 |
136 |
363 |
|
|
4 |
A' |
1520 |
1353 |
0.891 |
136 |
364 |
|
|
5 |
A' |
1235 |
1115 |
0.903 |
136 |
365 |
|
|
6 |
A' |
1109 |
895 |
0.807 |
136 |
366 |
|
|
7 |
A" |
3787 |
3359 |
0.887 |
136 |
367 |
|
|
8 |
A" |
1462 |
1295 |
0.886 |
136 |
368 |
|
|
9 |
A" |
448 |
386 |
0.862 |
136 |
369 |
CH2CO |
Ketene |
1 |
A1 |
3327 |
3070 |
0.923 |
137 |
370 |
|
|
2 |
A1 |
2346 |
2152 |
0.917 |
137 |
371 |
|
|
3 |
A1 |
1541 |
1388 |
0.901 |
137 |
372 |
|
|
4 |
A1 |
1246 |
1118 |
0.897 |
137 |
373 |
|
|
5 |
B1 |
694 |
588 |
0.847 |
137 |
374 |
|
|
6 |
B1 |
640 |
528 |
0.825 |
137 |
375 |
|
|
7 |
B2 |
3431 |
3166 |
0.923 |
137 |
376 |
|
|
8 |
B2 |
1092 |
977 |
0.894 |
137 |
377 |
|
|
9 |
B2 |
496 |
433 |
0.874 |
137 |
378 |
HCOOH |
Formic acid |
1 |
A' |
4081 |
3570 |
0.875 |
138 |
379 |
|
|
2 |
A' |
3241 |
2943 |
0.908 |
138 |
380 |
|
|
3 |
A' |
1988 |
1770 |
0.890 |
138 |
381 |
|
|
4 |
A' |
1532 |
1387 |
0.905 |
138 |
382 |
|
|
5 |
A' |
1418 |
1229 |
0.867 |
138 |
383 |
|
|
6 |
A' |
1255 |
1105 |
0.881 |
138 |
384 |
|
|
7 |
A' |
695 |
625 |
0.900 |
138 |
385 |
|
|
8 |
A" |
1191 |
1033 |
0.868 |
138 |
386 |
|
|
9 |
A" |
689 |
638 |
0.926 |
138 |
387 |
HNO3 |
Nitric acid |
1 |
A' |
4064 |
3550 |
0.874 |
139 |
388 |
|
|
2 |
A' |
1920 |
1708 |
0.889 |
139 |
389 |
|
|
3 |
A' |
1574 |
1331 |
0.846 |
139 |
390 |
|
|
4 |
A' |
1479 |
1325 |
0.896 |
139 |
391 |
|
|
5 |
A' |
1128 |
879 |
0.780 |
139 |
392 |
|
|
6 |
A' |
790 |
647 |
0.819 |
139 |
393 |
|
|
7 |
A' |
690 |
579 |
0.839 |
139 |
394 |
|
|
8 |
A" |
927 |
762 |
0.822 |
139 |
395 |
|
|
9 |
A" |
535 |
456 |
0.852 |
139 |
396 |
CH3F |
Methyl fluoride |
1 |
A1 |
3182 |
2930 |
0.921 |
140 |
397 |
|
|
2 |
A1 |
1614 |
1464 |
0.907 |
140 |
398 |
|
|
3 |
A1 |
1164 |
1049 |
0.901 |
140 |
399 |
|
|
4 |
E |
3259 |
3006 |
0.922 |
140 |
400 |
|
|
5 |
E |
1618 |
1467 |
0.906 |
140 |
401 |
|
|
6 |
E |
1304 |
1182 |
0.907 |
140 |
402 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3228 |
2948 |
0.913 |
141 |
403 |
|
|
2 |
A1 |
1674 |
1508 |
0.901 |
141 |
404 |
|
|
3 |
A1 |
1229 |
1111 |
0.904 |
141 |
405 |
|
|
4 |
A1 |
584 |
529 |
0.906 |
141 |
406 |
|
|
5 |
A2 |
1394 |
1262 |
0.905 |
141 |
407 |
|
|
6 |
B1 |
3295 |
3014 |
0.915 |
141 |
408 |
|
|
7 |
B1 |
1293 |
1178 |
0.911 |
141 |
409 |
|
|
8 |
B2 |
1597 |
1435 |
0.898 |
141 |
410 |
|
|
9 |
B2 |
1225 |
1090 |
0.890 |
141 |
411 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3316 |
3036 |
0.916 |
142 |
412 |
|
|
2 |
A1 |
1256 |
1117 |
0.889 |
142 |
413 |
|
|
3 |
A1 |
770 |
700 |
0.909 |
142 |
414 |
|
|
4 |
E |
1544 |
1372 |
0.888 |
142 |
415 |
|
|
5 |
E |
1301 |
1152 |
0.885 |
142 |
416 |
|
|
6 |
E |
559 |
507 |
0.907 |
142 |
417 |
FNO3 |
Fluorine nitrate |
1 |
A' |
1935 |
1759 |
0.909 |
143 |
418 |
|
|
2 |
A' |
1536 |
1301 |
0.847 |
143 |
419 |
|
|
3 |
A' |
1284 |
928 |
0.723 |
143 |
420 |
|
|
4 |
A' |
1029 |
804 |
0.781 |
143 |
421 |
|
|
5 |
A' |
832 |
633 |
0.761 |
143 |
422 |
|
|
6 |
A' |
638 |
455 |
0.714 |
143 |
423 |
|
|
7 |
A' |
399 |
303 |
0.760 |
143 |
424 |
|
|
8 |
A" |
889 |
709 |
0.797 |
143 |
425 |
|
|
9 |
A" |
162 |
152 |
0.936 |
143 |
426 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
1011 |
909 |
0.899 |
144 |
427 |
|
|
2 |
E |
480 |
435 |
0.907 |
144 |
428 |
|
|
3 |
T2 |
1442 |
1283 |
0.890 |
144 |
429 |
|
|
4 |
T2 |
692 |
631 |
0.912 |
144 |
430 |
SiH3F |
monofluorosilane |
1 |
A1 |
2358 |
2206 |
0.936 |
145 |
431 |
|
|
2 |
A1 |
1064 |
990 |
0.931 |
145 |
432 |
|
|
3 |
A1 |
926 |
872 |
0.942 |
145 |
433 |
|
|
4 |
E |
2349 |
2196 |
0.935 |
145 |
434 |
|
|
5 |
E |
1041 |
956 |
0.918 |
145 |
435 |
|
|
6 |
E |
782 |
728 |
0.931 |
145 |
436 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
848 |
800 |
0.944 |
146 |
437 |
|
|
2 |
E |
275 |
268 |
0.976 |
146 |
438 |
|
|
3 |
T2 |
1090 |
1032 |
0.947 |
146 |
439 |
|
|
4 |
T2 |
407 |
389 |
0.955 |
146 |
440 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1528 |
1417 |
0.927 |
147 |
441 |
|
|
2 |
A1 |
960 |
873 |
0.909 |
147 |
442 |
|
|
3 |
A1 |
515 |
472 |
0.916 |
147 |
443 |
|
|
4 |
E |
1078 |
991 |
0.919 |
147 |
444 |
|
|
5 |
E |
515 |
482 |
0.935 |
147 |
445 |
|
|
6 |
E |
359 |
336 |
0.936 |
147 |
446 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3218 |
2966 |
0.922 |
148 |
447 |
|
|
2 |
A1 |
1500 |
1355 |
0.903 |
148 |
448 |
|
|
3 |
A1 |
767 |
732 |
0.955 |
148 |
449 |
|
|
4 |
E |
3316 |
3042 |
0.917 |
148 |
450 |
|
|
5 |
E |
1602 |
1455 |
0.908 |
148 |
451 |
|
|
6 |
E |
1115 |
1015 |
0.910 |
148 |
452 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2356 |
2201 |
0.934 |
149 |
453 |
|
|
2 |
A1 |
1027 |
949 |
0.924 |
149 |
454 |
|
|
3 |
A1 |
557 |
551 |
0.989 |
149 |
455 |
|
|
4 |
E |
2357 |
2195 |
0.931 |
149 |
456 |
|
|
5 |
E |
1032 |
954 |
0.925 |
149 |
457 |
|
|
6 |
E |
708 |
664 |
0.937 |
149 |
458 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3285 |
2999 |
0.913 |
150 |
459 |
|
|
2 |
A1 |
1594 |
1467 |
0.920 |
150 |
460 |
|
|
3 |
A1 |
763 |
717 |
0.940 |
150 |
461 |
|
|
4 |
A1 |
304 |
282 |
0.927 |
150 |
462 |
|
|
5 |
A2 |
1282 |
1153 |
0.899 |
150 |
463 |
|
|
6 |
B1 |
3364 |
3040 |
0.904 |
150 |
464 |
|
|
7 |
B1 |
981 |
898 |
0.916 |
150 |
465 |
|
|
8 |
B2 |
1412 |
1268 |
0.898 |
150 |
466 |
|
|
9 |
B2 |
825 |
758 |
0.919 |
150 |
467 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1230 |
1105 |
0.899 |
151 |
468 |
|
|
2 |
A1 |
864 |
781 |
0.904 |
151 |
469 |
|
|
3 |
A1 |
515 |
476 |
0.925 |
151 |
470 |
|
|
4 |
E |
1386 |
1212 |
0.875 |
151 |
471 |
|
|
5 |
E |
617 |
563 |
0.913 |
151 |
472 |
|
|
6 |
E |
380 |
350 |
0.922 |
151 |
473 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2388 |
2224 |
0.931 |
152 |
474 |
|
|
2 |
A1 |
1030 |
954 |
0.926 |
152 |
475 |
|
|
3 |
A1 |
543 |
527 |
0.971 |
152 |
476 |
|
|
4 |
A1 |
198 |
188 |
0.951 |
152 |
477 |
|
|
5 |
A2 |
767 |
710 |
0.925 |
152 |
478 |
|
|
6 |
B1 |
2396 |
2237 |
0.934 |
152 |
479 |
|
|
7 |
B1 |
641 |
602 |
0.939 |
152 |
480 |
|
|
8 |
B2 |
947 |
876 |
0.925 |
152 |
481 |
|
|
9 |
B2 |
601 |
590 |
0.982 |
152 |
482 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
1187 |
1061 |
0.894 |
153 |
483 |
|
|
2 |
A1 |
880 |
715 |
0.813 |
153 |
484 |
|
|
3 |
A1 |
649 |
549 |
0.846 |
153 |
485 |
|
|
4 |
E |
1431 |
1315 |
0.919 |
153 |
486 |
|
|
5 |
E |
669 |
589 |
0.880 |
153 |
487 |
|
|
6 |
E |
464 |
405 |
0.874 |
153 |
488 |
CHCl3 |
Chloroform |
1 |
A1 |
3354 |
3034 |
0.905 |
154 |
489 |
|
|
2 |
A1 |
722 |
680 |
0.942 |
154 |
490 |
|
|
3 |
A1 |
395 |
366 |
0.926 |
154 |
491 |
|
|
4 |
E |
1364 |
1220 |
0.894 |
154 |
492 |
|
|
5 |
E |
858 |
774 |
0.903 |
154 |
493 |
|
|
6 |
E |
281 |
260 |
0.924 |
154 |
494 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1252 |
1101 |
0.880 |
155 |
495 |
|
|
2 |
A1 |
734 |
667 |
0.909 |
155 |
496 |
|
|
3 |
A1 |
497 |
458 |
0.921 |
155 |
497 |
|
|
4 |
A1 |
282 |
262 |
0.928 |
155 |
498 |
|
|
5 |
A2 |
353 |
322 |
0.913 |
155 |
499 |
|
|
6 |
B1 |
1004 |
902 |
0.898 |
155 |
500 |
|
|
7 |
B1 |
475 |
437 |
0.920 |
155 |
501 |
|
|
8 |
B2 |
1336 |
1159 |
0.867 |
155 |
502 |
|
|
9 |
B2 |
472 |
446 |
0.945 |
155 |
503 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1253 |
1085 |
0.866 |
156 |
504 |
|
|
2 |
A1 |
580 |
535 |
0.923 |
156 |
505 |
|
|
3 |
A1 |
377 |
350 |
0.928 |
156 |
506 |
|
|
4 |
E |
943 |
847 |
0.899 |
156 |
507 |
|
|
5 |
E |
435 |
394 |
0.905 |
156 |
508 |
|
|
6 |
E |
265 |
241 |
0.909 |
156 |
509 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1313 |
1205 |
0.918 |
157 |
510 |
|
|
2 |
A1 |
639 |
577 |
0.903 |
157 |
511 |
|
|
3 |
A1 |
454 |
408 |
0.899 |
157 |
512 |
|
|
4 |
A1 |
231 |
218 |
0.943 |
157 |
513 |
|
|
5 |
A2 |
303 |
282 |
0.930 |
157 |
514 |
|
|
6 |
B1 |
665 |
586 |
0.881 |
157 |
515 |
|
|
7 |
B1 |
433 |
388 |
0.896 |
157 |
516 |
|
|
8 |
B2 |
1556 |
1434 |
0.922 |
157 |
517 |
|
|
9 |
B2 |
395 |
362 |
0.917 |
157 |
518 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2428 |
2261 |
0.931 |
158 |
519 |
|
|
2 |
A1 |
513 |
499 |
0.973 |
158 |
520 |
|
|
3 |
A1 |
266 |
254 |
0.956 |
158 |
521 |
|
|
4 |
E |
870 |
811 |
0.932 |
158 |
522 |
|
|
5 |
E |
617 |
600 |
0.972 |
158 |
523 |
|
|
6 |
E |
184 |
176 |
0.956 |
158 |
524 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
495 |
459 |
0.927 |
159 |
525 |
|
|
2 |
E |
237 |
217 |
0.915 |
159 |
526 |
|
|
3 |
T2 |
886 |
776 |
0.876 |
159 |
527 |
|
|
4 |
T2 |
340 |
314 |
0.923 |
159 |
528 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1432 |
1322 |
0.923 |
160 |
529 |
|
|
2 |
A1 |
516 |
481 |
0.933 |
160 |
530 |
|
|
3 |
A1 |
283 |
266 |
0.939 |
160 |
531 |
|
|
4 |
E |
631 |
590 |
0.935 |
160 |
532 |
|
|
5 |
E |
365 |
333 |
0.913 |
160 |
533 |
|
|
6 |
E |
202 |
187 |
0.925 |
160 |
534 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
440 |
424 |
0.964 |
161 |
535 |
|
|
2 |
E |
155 |
150 |
0.971 |
161 |
536 |
|
|
3 |
T2 |
638 |
621 |
0.974 |
161 |
537 |
|
|
4 |
T2 |
233 |
221 |
0.949 |
161 |
538 |
C2H4 |
Ethylene |
1 |
Ag |
3291 |
3026 |
0.919 |
162 |
539 |
|
|
2 |
Ag |
1815 |
1623 |
0.894 |
162 |
540 |
|
|
3 |
Ag |
1474 |
1342 |
0.911 |
162 |
541 |
|
|
4 |
Au |
1135 |
1023 |
0.901 |
162 |
542 |
|
|
5 |
B1u |
3270 |
2989 |
0.914 |
162 |
543 |
|
|
6 |
B1u |
1590 |
1444 |
0.908 |
162 |
544 |
|
|
7 |
B2g |
1104 |
940 |
0.851 |
162 |
545 |
|
|
8 |
B2u |
3371 |
3105 |
0.921 |
162 |
546 |
|
|
9 |
B2u |
890 |
826 |
0.928 |
162 |
547 |
|
|
10 |
B3g |
3342 |
3086 |
0.923 |
162 |
548 |
|
|
11 |
B3g |
1344 |
1217 |
0.906 |
162 |
549 |
|
|
12 |
B3u |
1084 |
949 |
0.876 |
162 |
550 |
C3H3 |
Propargyl radical |
1 |
A1 |
3590 |
3322 |
0.925 |
163 |
551 |
|
|
6 |
B1 |
675 |
687 |
1.018 |
163 |
552 |
|
|
7 |
B1 |
497 |
490 |
0.986 |
163 |
553 |
C4H2 |
Diacetylene |
6 |
Πg |
812 |
627 |
0.772 |
164 |
554 |
|
|
7 |
Πg |
585 |
482 |
0.824 |
164 |
555 |
|
|
8 |
Πu |
820 |
630 |
0.768 |
164 |
556 |
|
|
9 |
Πu |
259 |
231 |
0.893 |
164 |
557 |
N2H4 |
Hydrazine |
1 |
A |
3807 |
3398 |
0.893 |
165 |
558 |
|
|
2 |
A |
3716 |
3329 |
0.896 |
165 |
559 |
|
|
3 |
A |
1829 |
1642 |
0.898 |
165 |
560 |
|
|
4 |
A |
1439 |
1275 |
0.886 |
165 |
561 |
|
|
5 |
A |
1206 |
1076 |
0.892 |
165 |
562 |
|
|
6 |
A |
929 |
780 |
0.839 |
165 |
563 |
|
|
7 |
A |
470 |
377 |
0.802 |
165 |
564 |
|
|
8 |
B |
3813 |
3350 |
0.879 |
165 |
565 |
|
|
9 |
B |
3708 |
3314 |
0.894 |
165 |
566 |
|
|
10 |
B |
1813 |
1628 |
0.898 |
165 |
567 |
|
|
11 |
B |
1407 |
1275 |
0.906 |
165 |
568 |
|
|
12 |
B |
1050 |
966 |
0.920 |
165 |
569 |
CH3CN |
Acetonitrile |
1 |
A1 |
3196 |
2954 |
0.924 |
166 |
570 |
|
|
2 |
A1 |
2591 |
2267 |
0.875 |
166 |
571 |
|
|
3 |
A1 |
1533 |
1385 |
0.903 |
166 |
572 |
|
|
4 |
A1 |
960 |
920 |
0.958 |
166 |
573 |
|
|
5 |
E |
3271 |
3009 |
0.920 |
166 |
574 |
|
|
6 |
E |
1593 |
1448 |
0.909 |
166 |
575 |
|
|
7 |
E |
1160 |
1041 |
0.897 |
166 |
576 |
|
|
8 |
E |
426 |
362 |
0.849 |
166 |
577 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2677 |
2290 |
0.855 |
167 |
578 |
|
|
2 |
Σg |
2456 |
2119 |
0.863 |
167 |
579 |
|
|
3 |
Σg |
633 |
692 |
1.093 |
167 |
580 |
|
|
4 |
Σu |
2613 |
2241 |
0.858 |
167 |
581 |
|
|
5 |
Σu |
1209 |
1154 |
0.955 |
167 |
582 |
|
|
6 |
Πg |
656 |
504 |
0.768 |
167 |
583 |
|
|
7 |
Πg |
323 |
263 |
0.814 |
167 |
584 |
|
|
8 |
Πu |
564 |
472 |
0.837 |
167 |
585 |
|
|
9 |
Πu |
126 |
107 |
0.849 |
167 |
586 |
CH3OH |
Methyl alcohol |
1 |
A' |
4172 |
3681 |
0.882 |
168 |
587 |
|
|
2 |
A' |
3248 |
3000 |
0.924 |
168 |
588 |
|
|
3 |
A' |
3143 |
2844 |
0.905 |
168 |
589 |
|
|
4 |
A' |
1629 |
1477 |
0.907 |
168 |
590 |
|
|
5 |
A' |
1607 |
1455 |
0.906 |
168 |
591 |
|
|
6 |
A' |
1477 |
1345 |
0.911 |
168 |
592 |
|
|
7 |
A' |
1168 |
1060 |
0.908 |
168 |
593 |
|
|
8 |
A' |
1151 |
1033 |
0.897 |
168 |
594 |
|
|
9 |
A" |
3186 |
2960 |
0.929 |
168 |
595 |
|
|
10 |
A" |
1621 |
1477 |
0.911 |
168 |
596 |
|
|
11 |
A" |
1278 |
1165 |
0.912 |
168 |
597 |
|
|
12 |
A" |
306 |
200 |
0.653 |
168 |
598 |
CHONH2 |
formamide |
1 |
A' |
3957 |
3564 |
0.901 |
169 |
599 |
|
|
2 |
A' |
3816 |
3439 |
0.901 |
169 |
600 |
|
|
3 |
A' |
3151 |
2854 |
0.906 |
169 |
601 |
|
|
4 |
A' |
1948 |
1754 |
0.900 |
169 |
602 |
|
|
5 |
A' |
1766 |
1577 |
0.893 |
169 |
603 |
|
|
6 |
A' |
1543 |
1390 |
0.901 |
169 |
604 |
|
|
7 |
A' |
1360 |
1258 |
0.925 |
169 |
605 |
|
|
8 |
A' |
1147 |
1046 |
0.911 |
169 |
606 |
|
|
9 |
A' |
619 |
581 |
0.938 |
169 |
607 |
|
|
10 |
A" |
1177 |
1021 |
0.868 |
169 |
608 |
|
|
11 |
A" |
663 |
603 |
0.909 |
169 |
609 |
|
|
12 |
A" |
203 |
289 |
1.424 |
169 |
610 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3157 |
2843 |
0.900 |
170 |
611 |
|
|
2 |
Ag |
2022 |
1745 |
0.863 |
170 |
612 |
|
|
3 |
Ag |
1497 |
1338 |
0.894 |
170 |
613 |
|
|
4 |
Ag |
1175 |
1065 |
0.906 |
170 |
614 |
|
|
5 |
Ag |
604 |
551 |
0.912 |
170 |
615 |
|
|
6 |
Au |
907 |
801 |
0.883 |
170 |
616 |
|
|
7 |
Au |
143 |
127 |
0.886 |
170 |
617 |
|
|
8 |
Bg |
1206 |
1048 |
0.869 |
170 |
618 |
|
|
9 |
Bu |
3157 |
2835 |
0.898 |
170 |
619 |
|
|
10 |
Bu |
1986 |
1732 |
0.872 |
170 |
620 |
|
|
11 |
Bu |
1456 |
1312 |
0.901 |
170 |
621 |
|
|
12 |
Bu |
374 |
339 |
0.907 |
170 |
622 |
CH3SH |
Methanethiol |
1 |
A' |
3272 |
3000 |
0.917 |
171 |
623 |
|
|
2 |
A' |
3191 |
2931 |
0.919 |
171 |
624 |
|
|
3 |
A' |
2847 |
2597 |
0.912 |
171 |
625 |
|
|
4 |
A' |
1607 |
1475 |
0.918 |
171 |
626 |
|
|
5 |
A' |
1482 |
1335 |
0.901 |
171 |
627 |
|
|
6 |
A' |
1192 |
1074 |
0.901 |
171 |
628 |
|
|
7 |
A' |
854 |
803 |
0.941 |
171 |
629 |
|
|
8 |
A' |
761 |
708 |
0.930 |
171 |
630 |
|
|
9 |
A" |
3276 |
3000 |
0.916 |
171 |
631 |
|
|
10 |
A" |
1592 |
1430 |
0.898 |
171 |
632 |
|
|
11 |
A" |
1056 |
976 |
0.925 |
171 |
633 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3404 |
3115 |
0.915 |
172 |
634 |
|
|
2 |
A' |
3368 |
3080 |
0.914 |
172 |
635 |
|
|
3 |
A' |
3309 |
3052 |
0.922 |
172 |
636 |
|
|
4 |
A' |
1851 |
1654 |
0.893 |
172 |
637 |
|
|
5 |
A' |
1537 |
1380 |
0.898 |
172 |
638 |
|
|
6 |
A' |
1442 |
1306 |
0.906 |
172 |
639 |
|
|
7 |
A' |
1276 |
1156 |
0.906 |
172 |
640 |
|
|
8 |
A' |
1026 |
929 |
0.905 |
172 |
641 |
|
|
9 |
A' |
528 |
483 |
0.915 |
172 |
642 |
|
|
10 |
A" |
1081 |
940 |
0.869 |
172 |
643 |
|
|
11 |
A" |
1026 |
863 |
0.841 |
172 |
644 |
|
|
12 |
A" |
799 |
711 |
0.889 |
172 |
645 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3338 |
3070 |
0.920 |
173 |
646 |
|
|
2 |
A1 |
1918 |
1728 |
0.901 |
173 |
647 |
|
|
3 |
A1 |
1534 |
1360 |
0.886 |
173 |
648 |
|
|
4 |
A1 |
1027 |
926 |
0.901 |
173 |
649 |
|
|
5 |
A1 |
606 |
550 |
0.908 |
173 |
650 |
|
|
6 |
A2 |
793 |
714 |
0.900 |
173 |
651 |
|
|
7 |
B1 |
963 |
803 |
0.834 |
173 |
652 |
|
|
8 |
B1 |
716 |
611 |
0.854 |
173 |
653 |
|
|
9 |
B2 |
3437 |
3154 |
0.918 |
173 |
654 |
|
|
10 |
B2 |
1465 |
1302 |
0.889 |
173 |
655 |
|
|
11 |
B2 |
1058 |
955 |
0.903 |
173 |
656 |
|
|
12 |
B2 |
479 |
438 |
0.915 |
173 |
657 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2633 |
2275 |
0.864 |
174 |
658 |
|
|
2 |
A1 |
1357 |
1227 |
0.904 |
174 |
659 |
|
|
3 |
A1 |
893 |
802 |
0.898 |
174 |
660 |
|
|
4 |
A1 |
564 |
522 |
0.925 |
174 |
661 |
|
|
5 |
E |
1388 |
1214 |
0.875 |
174 |
662 |
|
|
6 |
E |
698 |
618 |
0.886 |
174 |
663 |
|
|
7 |
E |
523 |
463 |
0.886 |
174 |
664 |
|
|
8 |
E |
223 |
196 |
0.879 |
174 |
665 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
2115 |
1872 |
0.885 |
175 |
666 |
|
|
2 |
Ag |
875 |
778 |
0.889 |
175 |
667 |
|
|
3 |
Ag |
438 |
394 |
0.900 |
175 |
668 |
|
|
4 |
Au |
228 |
190 |
0.832 |
175 |
669 |
|
|
5 |
B1u |
1300 |
1186 |
0.913 |
175 |
670 |
|
|
6 |
B1u |
612 |
558 |
0.912 |
175 |
671 |
|
|
7 |
B2g |
687 |
508 |
0.739 |
175 |
672 |
|
|
8 |
B2u |
1488 |
1337 |
0.899 |
175 |
673 |
|
|
9 |
B2u |
229 |
218 |
0.950 |
175 |
674 |
|
|
10 |
B3g |
1502 |
1340 |
0.892 |
175 |
675 |
|
|
11 |
B3g |
614 |
551 |
0.898 |
175 |
676 |
|
|
12 |
B3u |
486 |
406 |
0.835 |
175 |
677 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
895 |
816 |
0.912 |
176 |
678 |
|
|
2 |
A1' |
700 |
648 |
0.926 |
176 |
679 |
|
|
3 |
A2" |
1029 |
947 |
0.921 |
176 |
680 |
|
|
4 |
A2" |
616 |
575 |
0.934 |
176 |
681 |
|
|
5 |
E' |
1113 |
1024 |
0.920 |
176 |
682 |
|
|
6 |
E' |
570 |
533 |
0.935 |
176 |
683 |
|
|
7 |
E' |
189 |
174 |
0.918 |
176 |
684 |
|
|
8 |
E" |
549 |
520 |
0.948 |
176 |
685 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
4072 |
3602 |
0.885 |
177 |
686 |
|
|
2 |
A |
1601 |
1486 |
0.928 |
177 |
687 |
|
|
3 |
A |
1363 |
1243 |
0.912 |
177 |
688 |
|
|
4 |
A |
1259 |
1150 |
0.914 |
177 |
689 |
|
|
5 |
A |
1022 |
896 |
0.877 |
177 |
690 |
|
|
6 |
A |
956 |
823 |
0.861 |
177 |
691 |
|
|
7 |
A |
621 |
562 |
0.905 |
177 |
692 |
|
|
8 |
A |
610 |
551 |
0.903 |
177 |
693 |
|
|
9 |
A |
574 |
518 |
0.902 |
177 |
694 |
|
|
10 |
A |
457 |
409 |
0.894 |
177 |
695 |
|
|
11 |
A |
420 |
390 |
0.929 |
177 |
696 |
|
|
12 |
A |
316 |
266 |
0.843 |
177 |
697 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3391 |
3121 |
0.920 |
178 |
698 |
|
|
2 |
A' |
3370 |
3086 |
0.916 |
178 |
699 |
|
|
3 |
A' |
3298 |
3030 |
0.919 |
178 |
700 |
|
|
4 |
A' |
1805 |
1608 |
0.891 |
178 |
701 |
|
|
5 |
A' |
1521 |
1368 |
0.899 |
178 |
702 |
|
|
6 |
A' |
1410 |
1279 |
0.907 |
178 |
703 |
|
|
7 |
A' |
1129 |
1030 |
0.912 |
178 |
704 |
|
|
8 |
A' |
762 |
720 |
0.945 |
178 |
705 |
|
|
9 |
A' |
426 |
395 |
0.927 |
178 |
706 |
|
|
10 |
A" |
1081 |
941 |
0.870 |
178 |
707 |
|
|
11 |
A" |
1069 |
896 |
0.838 |
178 |
708 |
|
|
12 |
A" |
693 |
620 |
0.895 |
178 |
709 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3317 |
3035 |
0.915 |
179 |
710 |
|
|
2 |
A1 |
1815 |
1627 |
0.896 |
179 |
711 |
|
|
3 |
A1 |
1523 |
1400 |
0.919 |
179 |
712 |
|
|
4 |
A1 |
644 |
603 |
0.936 |
179 |
713 |
|
|
5 |
A1 |
318 |
299 |
0.941 |
179 |
714 |
|
|
6 |
A2 |
772 |
686 |
0.888 |
179 |
715 |
|
|
7 |
B1 |
1053 |
875 |
0.831 |
179 |
716 |
|
|
8 |
B1 |
516 |
460 |
0.892 |
179 |
717 |
|
|
9 |
B2 |
3411 |
3130 |
0.918 |
179 |
718 |
|
|
10 |
B2 |
1204 |
1095 |
0.909 |
179 |
719 |
|
|
11 |
B2 |
863 |
800 |
0.927 |
179 |
720 |
|
|
12 |
B2 |
404 |
372 |
0.920 |
179 |
721 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3389 |
3077 |
0.908 |
180 |
722 |
|
|
2 |
A1 |
1806 |
1587 |
0.879 |
180 |
723 |
|
|
3 |
A1 |
1317 |
1179 |
0.896 |
180 |
724 |
|
|
4 |
A1 |
758 |
711 |
0.937 |
180 |
725 |
|
|
5 |
A1 |
180 |
173 |
0.959 |
180 |
726 |
|
|
6 |
A2 |
1049 |
876 |
0.835 |
180 |
727 |
|
|
7 |
A2 |
459 |
406 |
0.884 |
180 |
728 |
|
|
8 |
B1 |
802 |
697 |
0.870 |
180 |
729 |
|
|
9 |
B2 |
3364 |
3072 |
0.913 |
180 |
730 |
|
|
10 |
B2 |
1436 |
1303 |
0.908 |
180 |
731 |
|
|
11 |
B2 |
916 |
857 |
0.936 |
180 |
732 |
|
|
12 |
B2 |
612 |
571 |
0.933 |
180 |
733 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3391 |
3073 |
0.906 |
181 |
734 |
|
|
2 |
Ag |
1802 |
1578 |
0.876 |
181 |
735 |
|
|
3 |
Ag |
1414 |
1274 |
0.901 |
181 |
736 |
|
|
4 |
Ag |
916 |
846 |
0.923 |
181 |
737 |
|
|
5 |
Ag |
377 |
350 |
0.929 |
181 |
738 |
|
|
6 |
Au |
1047 |
900 |
0.859 |
181 |
739 |
|
|
7 |
Au |
233 |
227 |
0.973 |
181 |
740 |
|
|
8 |
Bg |
919 |
763 |
0.830 |
181 |
741 |
|
|
9 |
Bu |
3385 |
3090 |
0.913 |
181 |
742 |
|
|
10 |
Bu |
1327 |
1200 |
0.904 |
181 |
743 |
|
|
11 |
Bu |
874 |
828 |
0.947 |
181 |
744 |
|
|
12 |
Bu |
256 |
250 |
0.976 |
181 |
745 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3393 |
3082 |
0.908 |
182 |
746 |
|
|
2 |
A' |
1814 |
1586 |
0.874 |
182 |
747 |
|
|
3 |
A' |
1388 |
1247 |
0.898 |
182 |
748 |
|
|
4 |
A' |
1021 |
931 |
0.912 |
182 |
749 |
|
|
5 |
A' |
899 |
840 |
0.934 |
182 |
750 |
|
|
6 |
A' |
677 |
630 |
0.931 |
182 |
751 |
|
|
7 |
A' |
415 |
384 |
0.926 |
182 |
752 |
|
|
8 |
A' |
296 |
277 |
0.936 |
182 |
753 |
|
|
9 |
A' |
185 |
178 |
0.960 |
182 |
754 |
|
|
10 |
A" |
945 |
780 |
0.825 |
182 |
755 |
|
|
11 |
A" |
528 |
451 |
0.855 |
182 |
756 |
|
|
12 |
A" |
227 |
215 |
0.948 |
182 |
757 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1179 |
1122 |
0.952 |
183 |
758 |
|
|
2 |
A1 |
415 |
401 |
0.966 |
183 |
759 |
|
|
3 |
A1 |
180 |
176 |
0.980 |
183 |
760 |
|
|
5 |
B2 |
752 |
728 |
0.968 |
183 |
761 |
|
|
6 |
B2 |
304 |
289 |
0.951 |
183 |
762 |
|
|
7 |
E |
945 |
917 |
0.971 |
183 |
763 |
|
|
8 |
E |
526 |
512 |
0.974 |
183 |
764 |
|
|
9 |
E |
107 |
104 |
0.971 |
183 |
765 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1803 |
1571 |
0.871 |
184 |
766 |
|
|
2 |
Ag |
480 |
447 |
0.931 |
184 |
767 |
|
|
3 |
Ag |
257 |
237 |
0.922 |
184 |
768 |
|
|
4 |
Au |
109 |
110 |
1.005 |
184 |
769 |
|
|
5 |
B1u |
836 |
777 |
0.929 |
184 |
770 |
|
|
6 |
B1u |
336 |
310 |
0.921 |
184 |
771 |
|
|
7 |
B2g |
629 |
512 |
0.814 |
184 |
772 |
|
|
8 |
B2u |
983 |
908 |
0.924 |
184 |
773 |
|
|
9 |
B2u |
194 |
176 |
0.909 |
184 |
774 |
|
|
10 |
B3g |
1088 |
1000 |
0.919 |
184 |
775 |
|
|
11 |
B3g |
375 |
347 |
0.925 |
184 |
776 |
|
|
12 |
B3u |
326 |
288 |
0.883 |
184 |
777 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
423 |
394 |
0.930 |
185 |
778 |
|
|
2 |
A1' |
298 |
264 |
0.887 |
185 |
779 |
|
|
3 |
A2" |
472 |
465 |
0.986 |
185 |
780 |
|
|
4 |
A2" |
321 |
299 |
0.931 |
185 |
781 |
|
|
5 |
E' |
627 |
592 |
0.944 |
185 |
782 |
|
|
6 |
E' |
294 |
273 |
0.930 |
185 |
783 |
|
|
7 |
E' |
104 |
100 |
0.959 |
185 |
784 |
|
|
8 |
E" |
279 |
282 |
1.009 |
185 |
785 |
CH3CCH |
propyne |
1 |
A1 |
3621 |
3334 |
0.921 |
186 |
786 |
|
|
2 |
A1 |
3176 |
2918 |
0.919 |
186 |
787 |
|
|
3 |
A1 |
2383 |
2124 |
0.891 |
186 |
788 |
|
|
4 |
A1 |
1535 |
1382 |
0.900 |
186 |
789 |
|
|
5 |
A1 |
972 |
931 |
0.958 |
186 |
790 |
|
|
6 |
E |
3238 |
3008 |
0.929 |
186 |
791 |
|
|
7 |
E |
1598 |
1452 |
0.909 |
186 |
792 |
|
|
8 |
E |
1154 |
1053 |
0.913 |
186 |
793 |
|
|
9 |
E |
805 |
633 |
0.786 |
186 |
794 |
|
|
10 |
E |
390 |
328 |
0.840 |
186 |
795 |
CH2CCH2 |
allene |
1 |
A1 |
3282 |
3015 |
0.919 |
187 |
796 |
|
|
2 |
A1 |
1606 |
1443 |
0.899 |
187 |
797 |
|
|
3 |
A1 |
1173 |
1073 |
0.915 |
187 |
798 |
|
|
4 |
B1 |
941 |
865 |
0.919 |
187 |
799 |
|
|
5 |
B2 |
3280 |
3007 |
0.917 |
187 |
800 |
|
|
6 |
B2 |
2170 |
1957 |
0.902 |
187 |
801 |
|
|
7 |
B2 |
1544 |
1398 |
0.905 |
187 |
802 |
|
|
8 |
E |
3360 |
3086 |
0.918 |
187 |
803 |
|
|
9 |
E |
1109 |
999 |
0.901 |
187 |
804 |
|
|
10 |
E |
996 |
841 |
0.844 |
187 |
805 |
|
|
11 |
E |
410 |
355 |
0.866 |
187 |
806 |
C3H4 |
cyclopropene |
1 |
A1 |
3458 |
3158 |
0.913 |
188 |
807 |
|
|
2 |
A1 |
3178 |
2909 |
0.915 |
188 |
808 |
|
|
3 |
A1 |
1849 |
1653 |
0.894 |
188 |
809 |
|
|
4 |
A1 |
1641 |
1483 |
0.904 |
188 |
810 |
|
|
5 |
A1 |
1235 |
1110 |
0.898 |
188 |
811 |
|
|
6 |
A1 |
1008 |
905 |
0.898 |
188 |
812 |
|
|
7 |
A2 |
1099 |
996 |
0.906 |
188 |
813 |
|
|
8 |
A2 |
986 |
820 |
0.832 |
188 |
814 |
|
|
9 |
B1 |
3234 |
2995 |
0.926 |
188 |
815 |
|
|
10 |
B1 |
1196 |
1088 |
0.910 |
188 |
816 |
|
|
11 |
B1 |
690 |
569 |
0.825 |
188 |
817 |
|
|
12 |
B2 |
3406 |
3124 |
0.917 |
188 |
818 |
|
|
13 |
B2 |
1186 |
1043 |
0.880 |
188 |
819 |
|
|
14 |
B2 |
1159 |
1011 |
0.873 |
188 |
820 |
|
|
15 |
B2 |
867 |
769 |
0.887 |
188 |
821 |
CH3NH2 |
methyl amine |
1 |
A' |
3728 |
3361 |
0.902 |
189 |
822 |
|
|
2 |
A' |
3194 |
2961 |
0.927 |
189 |
823 |
|
|
3 |
A' |
3119 |
2820 |
0.904 |
189 |
824 |
|
|
4 |
A' |
1794 |
1623 |
0.905 |
189 |
825 |
|
|
5 |
A' |
1617 |
1473 |
0.911 |
189 |
826 |
|
|
6 |
A' |
1580 |
1430 |
0.905 |
189 |
827 |
|
|
7 |
A' |
1266 |
1130 |
0.893 |
189 |
828 |
|
|
8 |
A' |
1133 |
1044 |
0.922 |
189 |
829 |
|
|
9 |
A' |
899 |
780 |
0.868 |
189 |
830 |
|
|
10 |
A" |
3805 |
3427 |
0.901 |
189 |
831 |
|
|
11 |
A" |
3226 |
2985 |
0.925 |
189 |
832 |
|
|
12 |
A" |
1634 |
1485 |
0.909 |
189 |
833 |
|
|
13 |
A" |
1455 |
1335 |
0.918 |
189 |
834 |
|
|
14 |
A" |
1039 |
|
|
189 |
835 |
|
|
15 |
A" |
316 |
268 |
0.849 |
189 |
836 |
C3H3N |
acrylonitrile |
1 |
A' |
3394 |
3125 |
0.921 |
190 |
837 |
|
|
2 |
A' |
3346 |
3078 |
0.920 |
190 |
838 |
|
|
3 |
A' |
3303 |
3042 |
0.921 |
190 |
839 |
|
|
4 |
A' |
2578 |
2239 |
0.868 |
190 |
840 |
|
|
5 |
A' |
1820 |
1615 |
0.887 |
190 |
841 |
|
|
6 |
A' |
1560 |
1416 |
0.908 |
190 |
842 |
|
|
7 |
A' |
1424 |
1282 |
0.900 |
190 |
843 |
|
|
8 |
A' |
1193 |
1096 |
0.919 |
190 |
844 |
|
|
9 |
A' |
923 |
869 |
0.942 |
190 |
845 |
|
|
10 |
A' |
632 |
570 |
0.902 |
190 |
846 |
|
|
11 |
A' |
264 |
242 |
0.916 |
190 |
847 |
|
|
12 |
A" |
1131 |
972 |
0.859 |
190 |
848 |
|
|
13 |
A" |
1096 |
954 |
0.870 |
190 |
849 |
|
|
14 |
A" |
779 |
683 |
0.876 |
190 |
850 |
|
|
15 |
A" |
393 |
362 |
0.922 |
190 |
851 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3219 |
2935 |
0.912 |
191 |
852 |
|
|
2 |
A1 |
2612 |
2275 |
0.871 |
191 |
853 |
|
|
3 |
A1 |
1574 |
1395 |
0.886 |
191 |
854 |
|
|
4 |
A1 |
961 |
890 |
0.926 |
191 |
855 |
|
|
5 |
A1 |
637 |
582 |
0.913 |
191 |
856 |
|
|
6 |
A1 |
166 |
167 |
1.009 |
191 |
857 |
|
|
7 |
A2 |
1354 |
1220 |
0.901 |
191 |
858 |
|
|
8 |
A2 |
420 |
367 |
0.874 |
191 |
859 |
|
|
9 |
B1 |
3263 |
2968 |
0.910 |
191 |
860 |
|
|
10 |
B1 |
1035 |
933 |
0.901 |
191 |
861 |
|
|
11 |
B1 |
382 |
337 |
0.883 |
191 |
862 |
|
|
12 |
B2 |
2609 |
2275 |
0.872 |
191 |
863 |
|
|
13 |
B2 |
1469 |
1318 |
0.897 |
191 |
864 |
|
|
14 |
B2 |
1042 |
982 |
0.942 |
191 |
865 |
|
|
15 |
B2 |
420 |
366 |
0.871 |
191 |
866 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3905 |
3447 |
0.883 |
192 |
867 |
|
|
2 |
A' |
3435 |
3102 |
0.903 |
192 |
868 |
|
|
3 |
A' |
1703 |
1441 |
0.846 |
192 |
869 |
|
|
4 |
A' |
1613 |
1384 |
0.858 |
192 |
870 |
|
|
5 |
A' |
1529 |
1259 |
0.824 |
192 |
871 |
|
|
6 |
A' |
1416 |
1159 |
0.819 |
192 |
872 |
|
|
7 |
A' |
1250 |
1084 |
0.867 |
192 |
873 |
|
|
8 |
A' |
1187 |
1015 |
0.855 |
192 |
874 |
|
|
9 |
A' |
1163 |
1002 |
0.862 |
192 |
875 |
|
|
10 |
A' |
1107 |
969 |
0.875 |
192 |
876 |
|
|
11 |
A' |
1084 |
925 |
0.853 |
192 |
877 |
|
|
12 |
A" |
1018 |
906 |
0.890 |
192 |
878 |
|
|
13 |
A" |
818 |
663 |
0.811 |
192 |
879 |
|
|
14 |
A" |
749 |
658 |
0.878 |
192 |
880 |
|
|
15 |
A" |
625 |
578 |
0.924 |
192 |
881 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3271 |
3014 |
0.921 |
193 |
882 |
|
|
2 |
A' |
3161 |
2923 |
0.925 |
193 |
883 |
|
|
3 |
A' |
3078 |
2716 |
0.882 |
193 |
884 |
|
|
4 |
A' |
1994 |
1743 |
0.874 |
193 |
885 |
|
|
5 |
A' |
1578 |
1433 |
0.908 |
193 |
886 |
|
|
6 |
A' |
1542 |
1395 |
0.904 |
193 |
887 |
|
|
7 |
A' |
1509 |
1352 |
0.896 |
193 |
888 |
|
|
8 |
A' |
1222 |
1114 |
0.911 |
193 |
889 |
|
|
9 |
A' |
952 |
867 |
0.911 |
193 |
890 |
|
|
10 |
A' |
547 |
509 |
0.931 |
193 |
891 |
|
|
11 |
A" |
3212 |
2964 |
0.923 |
193 |
892 |
|
|
12 |
A" |
1591 |
1431 |
0.899 |
193 |
893 |
|
|
13 |
A" |
1256 |
1102 |
0.877 |
193 |
894 |
|
|
14 |
A" |
849 |
764 |
0.900 |
193 |
895 |
|
|
15 |
A" |
168 |
150 |
0.894 |
193 |
896 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3255 |
3006 |
0.923 |
194 |
897 |
|
|
2 |
A1 |
1677 |
1467 |
0.875 |
194 |
898 |
|
|
3 |
A1 |
1414 |
1267 |
0.896 |
194 |
899 |
|
|
4 |
A1 |
1289 |
1146 |
0.889 |
194 |
900 |
|
|
5 |
A1 |
977 |
857 |
0.877 |
194 |
901 |
|
|
6 |
A2 |
3325 |
3063 |
0.921 |
194 |
902 |
|
|
7 |
A2 |
1275 |
1050 |
0.824 |
194 |
903 |
|
|
8 |
A2 |
1150 |
1020 |
0.887 |
194 |
904 |
|
|
9 |
B1 |
3342 |
3065 |
0.917 |
194 |
905 |
|
|
10 |
B1 |
1282 |
1146 |
0.894 |
194 |
906 |
|
|
11 |
B1 |
876 |
797 |
0.910 |
194 |
907 |
|
|
12 |
B2 |
3243 |
3006 |
0.927 |
194 |
908 |
|
|
13 |
B2 |
1629 |
1459 |
0.896 |
194 |
909 |
|
|
14 |
B2 |
1297 |
1159 |
0.893 |
194 |
910 |
|
|
15 |
B2 |
966 |
824 |
0.853 |
194 |
911 |
CH3ONO |
Methyl nitrite |
1 |
A' |
3303 |
3037 |
0.919 |
195 |
912 |
|
|
2 |
A' |
3200 |
2950 |
0.922 |
195 |
913 |
|
|
3 |
A' |
1921 |
1613 |
0.840 |
195 |
914 |
|
|
4 |
A' |
1619 |
1454 |
0.898 |
195 |
915 |
|
|
5 |
A' |
1590 |
1408 |
0.885 |
195 |
916 |
|
|
6 |
A' |
1327 |
1239 |
0.933 |
195 |
917 |
|
|
7 |
A' |
1198 |
991 |
0.827 |
195 |
918 |
|
|
8 |
A' |
993 |
838 |
0.843 |
195 |
919 |
|
|
9 |
A' |
876 |
627 |
0.716 |
195 |
920 |
|
|
10 |
A' |
392 |
346 |
0.884 |
195 |
921 |
|
|
11 |
A" |
3274 |
2991 |
0.913 |
195 |
922 |
|
|
12 |
A" |
1608 |
1438 |
0.894 |
195 |
923 |
|
|
13 |
A" |
1275 |
1143 |
0.896 |
195 |
924 |
|
|
14 |
A" |
360 |
|
|
195 |
925 |
|
|
15 |
A" |
240 |
186 |
0.775 |
195 |
926 |
C2H4S |
Thiirane |
1 |
A1 |
3280 |
3014 |
0.919 |
196 |
927 |
|
|
2 |
A1 |
1625 |
1457 |
0.897 |
196 |
928 |
|
|
5 |
A1 |
662 |
627 |
0.947 |
196 |
929 |
|
|
11 |
B1 |
893 |
824 |
0.923 |
196 |
930 |
|
|
12 |
B2 |
3274 |
3013 |
0.920 |
196 |
931 |
|
|
14 |
B2 |
1199 |
1051 |
0.877 |
196 |
932 |
H2SO4 |
Sulfuric acid |
1 |
A |
4089 |
3563 |
0.871 |
197 |
933 |
|
|
2 |
A |
1335 |
1216 |
0.911 |
197 |
934 |
|
|
3 |
A |
1250 |
1136 |
0.909 |
197 |
935 |
|
|
4 |
A |
962 |
831 |
0.865 |
197 |
936 |
|
|
5 |
A |
615 |
548 |
0.891 |
197 |
937 |
|
|
6 |
A |
476 |
422 |
0.886 |
197 |
938 |
|
|
7 |
A |
416 |
379 |
0.909 |
197 |
939 |
|
|
8 |
A |
266 |
224 |
0.841 |
197 |
940 |
|
|
9 |
B |
4083 |
3567 |
0.873 |
197 |
941 |
|
|
10 |
B |
1578 |
1452 |
0.921 |
197 |
942 |
|
|
11 |
B |
1270 |
1157 |
0.911 |
197 |
943 |
|
|
12 |
B |
1013 |
882 |
0.870 |
197 |
944 |
|
|
13 |
B |
626 |
558 |
0.891 |
197 |
945 |
|
|
14 |
B |
552 |
506 |
0.917 |
197 |
946 |
|
|
15 |
B |
340 |
288 |
0.846 |
197 |
947 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3302 |
3043 |
0.922 |
198 |
948 |
|
|
2 |
A' |
3190 |
2955 |
0.926 |
198 |
949 |
|
|
3 |
A' |
2077 |
1870 |
0.900 |
198 |
950 |
|
|
4 |
A' |
1584 |
1440 |
0.909 |
198 |
951 |
|
|
5 |
A' |
1539 |
1378 |
0.895 |
198 |
952 |
|
|
6 |
A' |
1339 |
1188 |
0.887 |
198 |
953 |
|
|
7 |
A' |
1107 |
1000 |
0.903 |
198 |
954 |
|
|
8 |
A' |
929 |
826 |
0.889 |
198 |
955 |
|
|
9 |
A' |
660 |
598 |
0.906 |
198 |
956 |
|
|
10 |
A' |
446 |
420 |
0.942 |
198 |
957 |
|
|
11 |
A" |
3252 |
3004 |
0.924 |
198 |
958 |
|
|
12 |
A" |
1596 |
1437 |
0.901 |
198 |
959 |
|
|
13 |
A" |
1178 |
1054 |
0.895 |
198 |
960 |
|
|
14 |
A" |
635 |
567 |
0.894 |
198 |
961 |
|
|
15 |
A" |
144 |
123 |
0.854 |
198 |
962 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
882 |
774 |
0.877 |
199 |
963 |
|
|
2 |
Eg |
724 |
642 |
0.886 |
199 |
964 |
|
|
3 |
T1u |
1072 |
948 |
0.884 |
199 |
965 |
|
|
4 |
T1u |
675 |
616 |
0.911 |
199 |
966 |
|
|
5 |
T2g |
574 |
525 |
0.915 |
199 |
967 |
|
|
6 |
T2u |
383 |
347 |
0.906 |
199 |
968 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3288 |
3027 |
0.921 |
200 |
969 |
|
|
2 |
A' |
3191 |
2948 |
0.924 |
200 |
970 |
|
|
3 |
A' |
2044 |
1818 |
0.889 |
200 |
971 |
|
|
4 |
A' |
1582 |
1415 |
0.895 |
200 |
972 |
|
|
5 |
A' |
1525 |
1368 |
0.897 |
200 |
973 |
|
|
6 |
A' |
1213 |
1108 |
0.913 |
200 |
974 |
|
|
7 |
A' |
1036 |
956 |
0.923 |
200 |
975 |
|
|
8 |
A' |
654 |
604 |
0.924 |
200 |
976 |
|
|
9 |
A' |
491 |
445 |
0.906 |
200 |
977 |
|
|
10 |
A' |
366 |
348 |
0.950 |
200 |
978 |
|
|
11 |
A" |
3262 |
2990 |
0.917 |
200 |
979 |
|
|
12 |
A" |
1590 |
1431 |
0.900 |
200 |
980 |
|
|
13 |
A" |
1148 |
1032 |
0.899 |
200 |
981 |
|
|
14 |
A" |
572 |
518 |
0.906 |
200 |
982 |
|
|
15 |
A" |
156 |
166 |
1.065 |
200 |
983 |
B2H6 |
Diborane |
1 |
Ag |
2701 |
2530 |
0.937 |
201 |
984 |
|
|
2 |
Ag |
2240 |
2088 |
0.932 |
201 |
985 |
|
|
3 |
Ag |
1296 |
1183 |
0.913 |
201 |
986 |
|
|
4 |
Ag |
821 |
790 |
0.962 |
201 |
987 |
|
|
5 |
Au |
889 |
833 |
0.937 |
201 |
988 |
|
|
6 |
B1g |
2768 |
2596 |
0.938 |
201 |
989 |
|
|
7 |
B1g |
992 |
915 |
0.922 |
201 |
990 |
|
|
8 |
B1u |
2016 |
1930 |
0.957 |
201 |
991 |
|
|
9 |
B1u |
1061 |
973 |
0.916 |
201 |
992 |
|
|
10 |
B2g |
1900 |
1760 |
0.926 |
201 |
993 |
|
|
11 |
B2g |
900 |
860 |
0.956 |
201 |
994 |
|
|
12 |
B2u |
2784 |
2609 |
0.937 |
201 |
995 |
|
|
13 |
B2u |
1093 |
949 |
0.868 |
201 |
996 |
|
|
14 |
B2u |
408 |
369 |
0.903 |
201 |
997 |
|
|
15 |
B3g |
1160 |
1020 |
0.879 |
201 |
998 |
|
|
16 |
B3u |
2682 |
2520 |
0.940 |
201 |
999 |
|
|
17 |
B3u |
1785 |
1603 |
0.898 |
201 |
1000 |
|
|
18 |
B3u |
1276 |
1172 |
0.919 |
201 |
1001 |
C2H6 |
Ethane |
1 |
A1g |
3158 |
2954 |
0.935 |
202 |
1002 |
|
|
2 |
A1g |
1548 |
1388 |
0.897 |
202 |
1003 |
|
|
3 |
A1g |
1049 |
995 |
0.948 |
202 |
1004 |
|
|
4 |
A1u |
328 |
289 |
0.882 |
202 |
1005 |
|
|
5 |
A2u |
3151 |
2896 |
0.919 |
202 |
1006 |
|
|
6 |
A2u |
1521 |
1379 |
0.907 |
202 |
1007 |
|
|
7 |
Eg |
3194 |
2969 |
0.930 |
202 |
1008 |
|
|
8 |
Eg |
1614 |
1468 |
0.910 |
202 |
1009 |
|
|
9 |
Eg |
1323 |
1190 |
0.899 |
202 |
1010 |
|
|
10 |
Eu |
3221 |
2985 |
0.927 |
202 |
1011 |
|
|
11 |
Eu |
1618 |
1469 |
0.908 |
202 |
1012 |
|
|
12 |
Eu |
881 |
822 |
0.933 |
202 |
1013 |
C3H5 |
Allyl radical |
1 |
A1 |
3375 |
3114 |
0.923 |
203 |
1014 |
|
|
2 |
A1 |
3290 |
3048 |
0.926 |
203 |
1015 |
|
|
4 |
A1 |
1626 |
1488 |
0.915 |
203 |
1016 |
|
|
5 |
A1 |
1331 |
1245 |
0.935 |
203 |
1017 |
|
|
6 |
A1 |
1067 |
1066 |
0.999 |
203 |
1018 |
|
|
7 |
A1 |
451 |
427 |
0.946 |
203 |
1019 |
|
|
9 |
A2 |
570 |
549 |
0.962 |
203 |
1020 |
|
|
10 |
B1 |
1032 |
968 |
0.938 |
203 |
1021 |
|
|
11 |
B1 |
818 |
802 |
0.980 |
203 |
1022 |
|
|
12 |
B1 |
547 |
518 |
0.948 |
203 |
1023 |
|
|
13 |
B2 |
3371 |
3105 |
0.921 |
203 |
1024 |
|
|
14 |
B2 |
3275 |
3016 |
0.921 |
203 |
1025 |
|
|
15 |
B2 |
1615 |
1463 |
0.906 |
203 |
1026 |
|
|
16 |
B2 |
1523 |
1389 |
0.912 |
203 |
1027 |
|
|
17 |
B2 |
1228 |
1182 |
0.963 |
203 |
1028 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3151 |
2898 |
0.920 |
204 |
1029 |
|
|
2 |
A1 |
2308 |
2166 |
0.938 |
204 |
1030 |
|
|
3 |
A1 |
1409 |
1260 |
0.894 |
204 |
1031 |
|
|
4 |
A1 |
1028 |
940 |
0.914 |
204 |
1032 |
|
|
5 |
A1 |
723 |
700 |
0.969 |
204 |
1033 |
|
|
6 |
A2 |
212 |
187 |
0.882 |
204 |
1034 |
|
|
7 |
E |
3220 |
2982 |
0.926 |
204 |
1035 |
|
|
8 |
E |
2294 |
2169 |
0.945 |
204 |
1036 |
|
|
9 |
E |
1576 |
1403 |
0.890 |
204 |
1037 |
|
|
10 |
E |
1035 |
980 |
0.947 |
204 |
1038 |
|
|
11 |
E |
952 |
868 |
0.912 |
204 |
1039 |
|
|
12 |
E |
558 |
540 |
0.968 |
204 |
1040 |
Si2H6 |
disilane |
1 |
A1g |
2310 |
2152 |
0.932 |
205 |
1041 |
|
|
2 |
A1g |
1019 |
909 |
0.892 |
205 |
1042 |
|
|
3 |
A1g |
442 |
434 |
0.983 |
205 |
1043 |
|
|
4 |
A1u |
135 |
131 |
0.972 |
205 |
1044 |
|
|
5 |
A2u |
2296 |
2154 |
0.938 |
205 |
1045 |
|
|
6 |
A2u |
936 |
844 |
0.901 |
205 |
1046 |
|
|
7 |
Eg |
2295 |
2155 |
0.939 |
205 |
1047 |
|
|
8 |
Eg |
1017 |
929 |
0.914 |
205 |
1048 |
|
|
9 |
Eg |
687 |
625 |
0.910 |
205 |
1049 |
|
|
10 |
Eu |
2305 |
2179 |
0.945 |
205 |
1050 |
|
|
11 |
Eu |
1031 |
940 |
0.911 |
205 |
1051 |
|
|
12 |
Eu |
401 |
379 |
0.947 |
205 |
1052 |
C2H5N |
Aziridine |
1 |
A' |
3770 |
3338 |
0.885 |
206 |
1053 |
|
|
2 |
A' |
3344 |
3079 |
0.921 |
206 |
1054 |
|
|
3 |
A' |
3260 |
3015 |
0.925 |
206 |
1055 |
|
|
4 |
A' |
1658 |
1482 |
0.894 |
206 |
1056 |
|
|
5 |
A' |
1389 |
1237 |
0.890 |
206 |
1057 |
|
|
6 |
A' |
1350 |
1211 |
0.897 |
206 |
1058 |
|
|
7 |
A' |
1235 |
1090 |
0.882 |
206 |
1059 |
|
|
8 |
A' |
1080 |
998 |
0.924 |
206 |
1060 |
|
|
9 |
A' |
951 |
856 |
0.900 |
206 |
1061 |
|
|
10 |
A' |
842 |
773 |
0.918 |
206 |
1062 |
|
|
11 |
A" |
3328 |
3079 |
0.925 |
206 |
1063 |
|
|
12 |
A" |
3250 |
3015 |
0.928 |
206 |
1064 |
|
|
13 |
A" |
1618 |
1463 |
0.904 |
206 |
1065 |
|
|
14 |
A" |
1378 |
1268 |
0.920 |
206 |
1066 |
|
|
15 |
A" |
1258 |
1131 |
0.899 |
206 |
1067 |
|
|
16 |
A" |
1246 |
1095 |
0.879 |
206 |
1068 |
|
|
17 |
A" |
999 |
904 |
0.905 |
206 |
1069 |
|
|
18 |
A" |
957 |
817 |
0.854 |
206 |
1070 |
CH3COOH |
Acetic acid |
1 |
A' |
4097 |
3583 |
0.875 |
207 |
1071 |
|
|
2 |
A' |
3297 |
3051 |
0.926 |
207 |
1072 |
|
|
3 |
A' |
3189 |
2944 |
0.923 |
207 |
1073 |
|
|
4 |
A' |
1992 |
1788 |
0.897 |
207 |
1074 |
|
|
5 |
A' |
1586 |
1430 |
0.902 |
207 |
1075 |
|
|
6 |
A' |
1546 |
1382 |
0.894 |
207 |
1076 |
|
|
7 |
A' |
1456 |
1264 |
0.868 |
207 |
1077 |
|
|
8 |
A' |
1332 |
1182 |
0.888 |
207 |
1078 |
|
|
9 |
A' |
1100 |
989 |
0.899 |
207 |
1079 |
|
|
10 |
A' |
928 |
847 |
0.913 |
207 |
1080 |
|
|
11 |
A' |
639 |
657 |
1.028 |
207 |
1081 |
|
|
12 |
A' |
454 |
|
|
207 |
1082 |
|
|
13 |
A" |
3248 |
2996 |
0.922 |
207 |
1083 |
|
|
14 |
A" |
1597 |
1430 |
0.896 |
207 |
1084 |
|
|
15 |
A" |
1174 |
1048 |
0.892 |
207 |
1085 |
|
|
16 |
A" |
707 |
642 |
0.908 |
207 |
1086 |
|
|
17 |
A" |
582 |
534 |
0.918 |
207 |
1087 |
|
|
18 |
A" |
97 |
93 |
0.962 |
207 |
1088 |
CH3OCHO |
methyl formate |
1 |
A' |
3296 |
3045 |
0.924 |
208 |
1089 |
|
|
2 |
A' |
3231 |
2969 |
0.919 |
208 |
1090 |
|
|
3 |
A' |
3200 |
2943 |
0.920 |
208 |
1091 |
|
|
4 |
A' |
1965 |
1754 |
0.893 |
208 |
1092 |
|
|
5 |
A' |
1621 |
1454 |
0.897 |
208 |
1093 |
|
|
6 |
A' |
1605 |
1445 |
0.901 |
208 |
1094 |
|
|
7 |
A' |
1531 |
1371 |
0.895 |
208 |
1095 |
|
|
8 |
A' |
1375 |
1207 |
0.878 |
208 |
1096 |
|
|
9 |
A' |
1308 |
1166 |
0.891 |
208 |
1097 |
|
|
10 |
A' |
1025 |
925 |
0.902 |
208 |
1098 |
|
|
11 |
A' |
847 |
767 |
0.906 |
208 |
1099 |
|
|
12 |
A' |
323 |
318 |
0.985 |
208 |
1100 |
|
|
13 |
A" |
3273 |
3012 |
0.920 |
208 |
1101 |
|
|
14 |
A" |
1613 |
1443 |
0.895 |
208 |
1102 |
|
|
15 |
A" |
1287 |
1168 |
0.907 |
208 |
1103 |
|
|
16 |
A" |
1187 |
1032 |
0.869 |
208 |
1104 |
|
|
17 |
A" |
343 |
332 |
0.968 |
208 |
1105 |
|
|
18 |
A" |
160 |
130 |
0.813 |
208 |
1106 |
C3H3NO |
Isoxazole |
1 |
A' |
3435 |
3160 |
0.920 |
209 |
1107 |
|
|
2 |
A' |
3410 |
3128 |
0.917 |
209 |
1108 |
|
|
3 |
A' |
3391 |
3086 |
0.910 |
209 |
1109 |
|
|
4 |
A' |
1774 |
1561 |
0.880 |
209 |
1110 |
|
|
5 |
A' |
1616 |
1433 |
0.886 |
209 |
1111 |
|
|
6 |
A' |
1530 |
1371 |
0.896 |
209 |
1112 |
|
|
7 |
A' |
1375 |
1218 |
0.886 |
209 |
1113 |
|
|
8 |
A' |
1265 |
1130 |
0.893 |
209 |
1114 |
|
|
9 |
A' |
1214 |
1096 |
0.903 |
209 |
1115 |
|
|
10 |
A' |
1103 |
1024 |
0.929 |
209 |
1116 |
|
|
11 |
A' |
1035 |
920 |
0.888 |
209 |
1117 |
|
|
12 |
A' |
1005 |
900 |
0.895 |
209 |
1118 |
|
|
13 |
A' |
995 |
857 |
0.861 |
209 |
1119 |
|
|
14 |
A" |
1050 |
890 |
0.847 |
209 |
1120 |
|
|
15 |
A" |
1033 |
866 |
0.839 |
209 |
1121 |
|
|
16 |
A" |
869 |
765 |
0.880 |
209 |
1122 |
|
|
17 |
A" |
702 |
631 |
0.898 |
209 |
1123 |
|
|
18 |
A" |
646 |
592 |
0.916 |
209 |
1124 |
C3H3NO |
Oxazole |
1 |
A' |
3455 |
3170 |
0.918 |
210 |
1125 |
|
|
2 |
A' |
3421 |
3144 |
0.919 |
210 |
1126 |
|
|
3 |
A' |
3418 |
3141 |
0.919 |
210 |
1127 |
|
|
4 |
A' |
1750 |
1537 |
0.878 |
210 |
1128 |
|
|
5 |
A' |
1691 |
1504 |
0.889 |
210 |
1129 |
|
|
6 |
A' |
1492 |
1324 |
0.887 |
210 |
1130 |
|
|
7 |
A' |
1396 |
1252 |
0.897 |
210 |
1131 |
|
|
8 |
A' |
1283 |
1139 |
0.888 |
210 |
1132 |
|
|
9 |
A' |
1216 |
1086 |
0.893 |
210 |
1133 |
|
|
10 |
A' |
1178 |
1078 |
0.915 |
210 |
1134 |
|
|
11 |
A' |
1152 |
1046 |
0.908 |
210 |
1135 |
|
|
12 |
A' |
1010 |
899 |
0.890 |
210 |
1136 |
|
|
13 |
A' |
989 |
854 |
0.864 |
210 |
1137 |
|
|
14 |
A" |
1028 |
907 |
0.882 |
210 |
1138 |
|
|
15 |
A" |
1004 |
830 |
0.827 |
210 |
1139 |
|
|
16 |
A" |
875 |
750 |
0.857 |
210 |
1140 |
|
|
17 |
A" |
708 |
647 |
0.914 |
210 |
1141 |
|
|
18 |
A" |
669 |
607 |
0.907 |
210 |
1142 |
CH3NO3 |
Methyl nitrate |
1 |
A' |
3314 |
3008 |
0.908 |
211 |
1143 |
|
|
2 |
A' |
3217 |
2941 |
0.914 |
211 |
1144 |
|
|
3 |
A' |
1848 |
1678 |
0.908 |
211 |
1145 |
|
|
4 |
A' |
1626 |
1468 |
0.903 |
211 |
1146 |
|
|
5 |
A' |
1615 |
1430 |
0.885 |
211 |
1147 |
|
|
6 |
A' |
1531 |
1287 |
0.841 |
211 |
1148 |
|
|
7 |
A' |
1324 |
1176 |
0.888 |
211 |
1149 |
|
|
8 |
A' |
1200 |
1017 |
0.848 |
211 |
1150 |
|
|
9 |
A' |
1052 |
854 |
0.812 |
211 |
1151 |
|
|
10 |
A' |
794 |
657 |
0.827 |
211 |
1152 |
|
|
11 |
A' |
670 |
578 |
0.862 |
211 |
1153 |
|
|
12 |
A' |
381 |
340 |
0.892 |
211 |
1154 |
|
|
13 |
A" |
3307 |
3008 |
0.910 |
211 |
1155 |
|
|
14 |
A" |
1606 |
1455 |
0.906 |
211 |
1156 |
|
|
15 |
A" |
1282 |
1136 |
0.886 |
211 |
1157 |
|
|
16 |
A" |
930 |
758 |
0.815 |
211 |
1158 |
|
|
17 |
A" |
240 |
|
|
211 |
1159 |
|
|
18 |
A" |
141 |
|
|
211 |
1160 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
1 |
A' |
3265 |
3015 |
0.923 |
212 |
1161 |
|
|
2 |
A' |
3239 |
2975 |
0.919 |
212 |
1162 |
|
|
3 |
A' |
3182 |
2964 |
0.931 |
212 |
1163 |
|
|
4 |
A' |
1602 |
1457 |
0.909 |
212 |
1164 |
|
|
5 |
A' |
1576 |
1413 |
0.897 |
212 |
1165 |
|
|
6 |
A' |
1516 |
1357 |
0.895 |
212 |
1166 |
|
|
7 |
A' |
1272 |
1171 |
0.921 |
212 |
1167 |
|
|
8 |
A' |
1239 |
1140 |
0.920 |
212 |
1168 |
|
|
9 |
A' |
936 |
868 |
0.927 |
212 |
1169 |
|
|
10 |
A' |
621 |
569 |
0.916 |
212 |
1170 |
|
|
11 |
A' |
508 |
468 |
0.922 |
212 |
1171 |
|
|
12 |
A" |
3256 |
|
|
212 |
1172 |
|
|
13 |
A" |
1604 |
|
|
212 |
1173 |
|
|
14 |
A" |
1521 |
1362 |
0.895 |
212 |
1174 |
|
|
15 |
A" |
1268 |
1135 |
0.895 |
212 |
1175 |
|
|
16 |
A" |
1053 |
942 |
0.895 |
212 |
1176 |
|
|
17 |
A" |
410 |
|
|
212 |
1177 |
|
|
18 |
A" |
252 |
|
|
212 |
1178 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3200 |
2974 |
0.929 |
213 |
1179 |
|
|
2 |
A1 |
1574 |
1412 |
0.897 |
213 |
1180 |
|
|
3 |
A1 |
1408 |
1278 |
0.908 |
213 |
1181 |
|
|
4 |
A1 |
907 |
828 |
0.913 |
213 |
1182 |
|
|
5 |
A1 |
650 |
606 |
0.932 |
213 |
1183 |
|
|
6 |
A2 |
248 |
225 |
0.908 |
213 |
1184 |
|
|
7 |
E |
3281 |
3042 |
0.927 |
213 |
1185 |
|
|
8 |
E |
1602 |
1450 |
0.905 |
213 |
1186 |
|
|
9 |
E |
1376 |
1230 |
0.894 |
213 |
1187 |
|
|
10 |
E |
1080 |
964 |
0.893 |
213 |
1188 |
|
|
11 |
E |
593 |
540 |
0.911 |
213 |
1189 |
|
|
12 |
E |
395 |
365 |
0.924 |
213 |
1190 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1584 |
1420 |
0.896 |
214 |
1191 |
|
|
2 |
A1g |
893 |
809 |
0.906 |
214 |
1192 |
|
|
3 |
A1g |
377 |
349 |
0.927 |
214 |
1193 |
|
|
4 |
A1u |
75 |
68 |
0.907 |
214 |
1194 |
|
|
5 |
A2u |
1233 |
1117 |
0.906 |
214 |
1195 |
|
|
6 |
A2u |
787 |
714 |
0.908 |
214 |
1196 |
|
|
7 |
Eg |
1402 |
1237 |
0.882 |
214 |
1197 |
|
|
8 |
Eg |
680 |
620 |
0.911 |
214 |
1198 |
|
|
9 |
Eg |
419 |
380 |
0.906 |
214 |
1199 |
|
|
10 |
Eu |
1409 |
1251 |
0.888 |
214 |
1200 |
|
|
11 |
Eu |
574 |
523 |
0.910 |
214 |
1201 |
|
|
12 |
Eu |
234 |
216 |
0.923 |
214 |
1202 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3239 |
2967 |
0.916 |
215 |
1203 |
|
|
2 |
A' |
3221 |
2946 |
0.915 |
215 |
1204 |
|
|
3 |
A' |
3162 |
2881 |
0.911 |
215 |
1205 |
|
|
4 |
A' |
1619 |
1463 |
0.903 |
215 |
1206 |
|
|
5 |
A' |
1614 |
1448 |
0.897 |
215 |
1207 |
|
|
6 |
A' |
1540 |
1385 |
0.900 |
215 |
1208 |
|
|
7 |
A' |
1436 |
1289 |
0.898 |
215 |
1209 |
|
|
8 |
A' |
1169 |
1081 |
0.925 |
215 |
1210 |
|
|
9 |
A' |
1046 |
974 |
0.931 |
215 |
1211 |
|
|
10 |
A' |
708 |
677 |
0.956 |
215 |
1212 |
|
|
11 |
A' |
354 |
336 |
0.948 |
215 |
1213 |
|
|
12 |
A" |
3293 |
3014 |
0.915 |
215 |
1214 |
|
|
13 |
A" |
3242 |
2986 |
0.921 |
215 |
1215 |
|
|
14 |
A" |
1602 |
1448 |
0.904 |
215 |
1216 |
|
|
15 |
A" |
1380 |
1251 |
0.906 |
215 |
1217 |
|
|
16 |
A" |
1170 |
974 |
0.832 |
215 |
1218 |
|
|
17 |
A" |
847 |
786 |
0.929 |
215 |
1219 |
|
|
18 |
A" |
279 |
251 |
0.899 |
215 |
1220 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3252 |
2957 |
0.909 |
216 |
1221 |
|
|
1 |
A |
3292 |
3005 |
0.913 |
216 |
1222 |
|
|
2 |
A |
3240 |
2957 |
0.913 |
216 |
1223 |
|
|
2 |
Ag |
1619 |
1445 |
0.892 |
216 |
1224 |
|
|
3 |
Ag |
1465 |
1304 |
0.890 |
216 |
1225 |
|
|
3 |
A |
1603 |
1433 |
0.894 |
216 |
1226 |
|
|
4 |
A |
1466 |
1315 |
0.897 |
216 |
1227 |
|
|
4 |
Ag |
1130 |
1052 |
0.931 |
216 |
1228 |
|
|
5 |
Ag |
822 |
754 |
0.917 |
216 |
1229 |
|
|
5 |
A |
1336 |
1207 |
0.904 |
216 |
1230 |
|
|
6 |
A |
1126 |
1027 |
0.912 |
216 |
1231 |
|
|
6 |
Ag |
321 |
300 |
0.936 |
216 |
1232 |
|
|
7 |
Au |
3329 |
3005 |
0.903 |
216 |
1233 |
|
|
7 |
A |
1029 |
948 |
0.921 |
216 |
1234 |
|
|
8 |
A |
705 |
669 |
0.949 |
216 |
1235 |
|
|
8 |
Au |
1241 |
1123 |
0.905 |
216 |
1236 |
|
|
9 |
Au |
833 |
773 |
0.928 |
216 |
1237 |
|
|
9 |
A |
279 |
272 |
0.977 |
216 |
1238 |
|
|
10 |
A |
121 |
125 |
1.037 |
216 |
1239 |
|
|
10 |
Au |
125 |
123 |
0.986 |
216 |
1240 |
|
|
11 |
Bg |
3305 |
3005 |
0.909 |
216 |
1241 |
|
|
11 |
B |
3305 |
3005 |
0.909 |
216 |
1242 |
|
|
12 |
B |
3228 |
2957 |
0.916 |
216 |
1243 |
|
|
12 |
Bg |
1405 |
1264 |
0.900 |
216 |
1244 |
|
|
13 |
Bg |
1098 |
989 |
0.901 |
216 |
1245 |
|
|
13 |
B |
1598 |
1436 |
0.899 |
216 |
1246 |
|
|
14 |
B |
1439 |
1292 |
0.898 |
216 |
1247 |
|
|
14 |
Bu |
3258 |
2983 |
0.916 |
216 |
1248 |
|
|
15 |
Bu |
1618 |
1461 |
0.903 |
216 |
1249 |
|
|
15 |
B |
1261 |
1146 |
0.909 |
216 |
1250 |
|
|
16 |
B |
975 |
890 |
0.913 |
216 |
1251 |
|
|
16 |
Bu |
1369 |
1232 |
0.900 |
216 |
1252 |
|
|
17 |
Bu |
766 |
728 |
0.950 |
216 |
1253 |
|
|
17 |
B |
734 |
693 |
0.944 |
216 |
1254 |
|
|
18 |
B |
438 |
410 |
0.936 |
216 |
1255 |
|
|
18 |
Bu |
234 |
222 |
0.951 |
216 |
1256 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3195 |
2951 |
0.924 |
217 |
1257 |
|
|
2 |
A1 |
1547 |
1386 |
0.896 |
217 |
1258 |
|
|
3 |
A1 |
1158 |
1075 |
0.928 |
217 |
1259 |
|
|
4 |
A1 |
563 |
526 |
0.934 |
217 |
1260 |
|
|
5 |
A1 |
372 |
344 |
0.924 |
217 |
1261 |
|
|
6 |
A2 |
324 |
214 |
0.661 |
217 |
1262 |
|
|
7 |
E |
3277 |
3014 |
0.920 |
217 |
1263 |
|
|
8 |
E |
1602 |
1457 |
0.909 |
217 |
1264 |
|
|
9 |
E |
1207 |
1088 |
0.901 |
217 |
1265 |
|
|
10 |
E |
806 |
724 |
0.899 |
217 |
1266 |
|
|
11 |
E |
369 |
351 |
0.952 |
217 |
1267 |
|
|
12 |
E |
260 |
239 |
0.918 |
217 |
1268 |
C3H6 |
Cyclopropane |
1 |
A1' |
3276 |
3038 |
0.927 |
218 |
1269 |
|
|
2 |
A1' |
1650 |
1479 |
0.896 |
218 |
1270 |
|
|
3 |
A1' |
1281 |
1188 |
0.927 |
218 |
1271 |
|
|
4 |
A1" |
1252 |
1126 |
0.900 |
218 |
1272 |
|
|
5 |
A2' |
1210 |
1070 |
0.884 |
218 |
1273 |
|
|
6 |
A2" |
3360 |
3103 |
0.923 |
218 |
1274 |
|
|
7 |
A2" |
913 |
854 |
0.935 |
218 |
1275 |
|
|
8 |
E' |
3263 |
3025 |
0.927 |
218 |
1276 |
|
|
9 |
E' |
1592 |
1438 |
0.903 |
218 |
1277 |
|
|
10 |
E' |
1167 |
1029 |
0.882 |
218 |
1278 |
|
|
11 |
E' |
940 |
866 |
0.921 |
218 |
1279 |
|
|
12 |
E" |
3336 |
3082 |
0.924 |
218 |
1280 |
|
|
13 |
E" |
1312 |
1188 |
0.905 |
218 |
1281 |
|
|
14 |
E" |
794 |
739 |
0.931 |
218 |
1282 |
CH2CHCH3 |
Propene |
1 |
A' |
3354 |
3090 |
0.921 |
219 |
1283 |
|
|
2 |
A' |
3282 |
3013 |
0.918 |
219 |
1284 |
|
|
3 |
A' |
3270 |
2991 |
0.915 |
219 |
1285 |
|
|
4 |
A' |
3227 |
2954 |
0.916 |
219 |
1286 |
|
|
5 |
A' |
3152 |
2871 |
0.911 |
219 |
1287 |
|
|
6 |
A' |
1840 |
1650 |
0.897 |
219 |
1288 |
|
|
7 |
A' |
1610 |
1470 |
0.913 |
219 |
1289 |
|
|
8 |
A' |
1570 |
1420 |
0.904 |
219 |
1290 |
|
|
9 |
A' |
1528 |
1378 |
0.902 |
219 |
1291 |
|
|
10 |
A' |
1428 |
1297 |
0.908 |
219 |
1292 |
|
|
11 |
A' |
1285 |
1171 |
0.911 |
219 |
1293 |
|
|
12 |
A' |
1020 |
963 |
0.944 |
219 |
1294 |
|
|
13 |
A' |
974 |
920 |
0.945 |
219 |
1295 |
|
|
14 |
A' |
454 |
428 |
0.943 |
219 |
1296 |
|
|
15 |
A" |
3195 |
2954 |
0.925 |
219 |
1297 |
|
|
16 |
A" |
1597 |
1443 |
0.904 |
219 |
1298 |
|
|
17 |
A" |
1178 |
1045 |
0.887 |
219 |
1299 |
|
|
18 |
A" |
1114 |
991 |
0.890 |
219 |
1300 |
|
|
19 |
A" |
1062 |
912 |
0.859 |
219 |
1301 |
|
|
20 |
A" |
641 |
578 |
0.901 |
219 |
1302 |
|
|
21 |
A" |
219 |
174 |
0.796 |
219 |
1303 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3913 |
3523 |
0.900 |
220 |
1304 |
|
|
2 |
A' |
3420 |
3155 |
0.923 |
220 |
1305 |
|
|
3 |
A' |
3399 |
3137 |
0.923 |
220 |
1306 |
|
|
4 |
A' |
3385 |
3126 |
0.924 |
220 |
1307 |
|
|
5 |
A' |
1725 |
1531 |
0.888 |
220 |
1308 |
|
|
6 |
A' |
1618 |
1447 |
0.894 |
220 |
1309 |
|
|
7 |
A' |
1531 |
1395 |
0.911 |
220 |
1310 |
|
|
8 |
A' |
1527 |
1358 |
0.889 |
220 |
1311 |
|
|
9 |
A' |
1397 |
1254 |
0.898 |
220 |
1312 |
|
|
10 |
A' |
1270 |
1159 |
0.913 |
220 |
1313 |
|
|
11 |
A' |
1219 |
1121 |
0.920 |
220 |
1314 |
|
|
12 |
A' |
1132 |
1054 |
0.931 |
220 |
1315 |
|
|
13 |
A' |
1117 |
1009 |
0.904 |
220 |
1316 |
|
|
14 |
A' |
1015 |
924 |
0.911 |
220 |
1317 |
|
|
15 |
A' |
996 |
908 |
0.912 |
220 |
1318 |
|
|
16 |
A" |
1028 |
879 |
0.855 |
220 |
1319 |
|
|
17 |
A" |
991 |
833 |
0.840 |
220 |
1320 |
|
|
18 |
A" |
852 |
745 |
0.874 |
220 |
1321 |
|
|
19 |
A" |
746 |
674 |
0.903 |
220 |
1322 |
|
|
20 |
A" |
687 |
623 |
0.907 |
220 |
1323 |
|
|
21 |
A" |
578 |
516 |
0.893 |
220 |
1324 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3908 |
3517 |
0.900 |
221 |
1325 |
|
|
2 |
A' |
3428 |
3143 |
0.917 |
221 |
1326 |
|
|
3 |
A' |
3399 |
3123 |
0.919 |
221 |
1327 |
|
|
4 |
A' |
3393 |
3110 |
0.917 |
221 |
1328 |
|
|
5 |
A' |
1719 |
1448 |
0.842 |
221 |
1329 |
|
|
6 |
A' |
1643 |
1404 |
0.855 |
221 |
1330 |
|
|
7 |
A' |
1567 |
1328 |
0.848 |
221 |
1331 |
|
|
8 |
A' |
1481 |
1265 |
0.854 |
221 |
1332 |
|
|
9 |
A' |
1403 |
1188 |
0.847 |
221 |
1333 |
|
|
10 |
A' |
1244 |
1098 |
0.883 |
221 |
1334 |
|
|
11 |
A' |
1217 |
1062 |
0.873 |
221 |
1335 |
|
|
12 |
A' |
1174 |
1013 |
0.863 |
221 |
1336 |
|
|
13 |
A' |
1144 |
988 |
0.864 |
221 |
1337 |
|
|
14 |
A' |
1018 |
923 |
0.906 |
221 |
1338 |
|
|
15 |
A' |
980 |
898 |
0.916 |
221 |
1339 |
|
|
16 |
A" |
1012 |
831 |
0.821 |
221 |
1340 |
|
|
17 |
A" |
981 |
758 |
0.772 |
221 |
1341 |
|
|
18 |
A" |
844 |
674 |
0.799 |
221 |
1342 |
|
|
19 |
A" |
730 |
663 |
0.909 |
221 |
1343 |
|
|
20 |
A" |
691 |
621 |
0.899 |
221 |
1344 |
|
|
21 |
A" |
553 |
539 |
0.975 |
221 |
1345 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3344 |
3042 |
0.910 |
222 |
1346 |
|
|
2 |
A1' |
1249 |
1132 |
0.906 |
222 |
1347 |
|
|
3 |
A1' |
1105 |
992 |
0.898 |
222 |
1348 |
|
|
4 |
A2' |
1515 |
1278 |
0.843 |
222 |
1349 |
|
|
5 |
A2' |
1147 |
1068 |
0.931 |
222 |
1350 |
|
|
6 |
A2" |
1088 |
925 |
0.850 |
222 |
1351 |
|
|
7 |
A2" |
794 |
737 |
0.928 |
222 |
1352 |
|
|
8 |
E' |
3339 |
3056 |
0.915 |
222 |
1353 |
|
|
9 |
E' |
1786 |
1555 |
0.871 |
222 |
1354 |
|
|
10 |
E' |
1566 |
1410 |
0.900 |
222 |
1355 |
|
|
11 |
E' |
1298 |
1176 |
0.906 |
222 |
1356 |
|
|
12 |
E' |
749 |
657 |
0.878 |
222 |
1357 |
|
|
13 |
E" |
1182 |
830 |
0.702 |
222 |
1358 |
|
|
14 |
E" |
414 |
340 |
0.820 |
222 |
1359 |
CH3CH2OH |
Ethanol |
1 |
A' |
4171 |
3653 |
0.876 |
223 |
1360 |
|
|
2 |
A' |
3224 |
2984 |
0.926 |
223 |
1361 |
|
|
3 |
A' |
3164 |
2939 |
0.929 |
223 |
1362 |
|
|
4 |
A' |
3133 |
2900 |
0.926 |
223 |
1363 |
|
|
5 |
A' |
1652 |
1490 |
0.902 |
223 |
1364 |
|
|
6 |
A' |
1616 |
1464 |
0.905 |
223 |
1365 |
|
|
7 |
A' |
1583 |
1412 |
0.892 |
223 |
1366 |
|
|
8 |
A' |
1523 |
1371 |
0.900 |
223 |
1367 |
|
|
9 |
A' |
1371 |
1256 |
0.917 |
223 |
1368 |
|
|
10 |
A' |
1199 |
1091 |
0.910 |
223 |
1369 |
|
|
11 |
A' |
1119 |
1028 |
0.918 |
223 |
1370 |
|
|
12 |
A' |
964 |
888 |
0.920 |
223 |
1371 |
|
|
13 |
A' |
447 |
417 |
0.932 |
223 |
1372 |
|
|
14 |
A" |
3234 |
2991 |
0.925 |
223 |
1373 |
|
|
15 |
A" |
3154 |
2910 |
0.923 |
223 |
1374 |
|
|
16 |
A" |
1598 |
1446 |
0.905 |
223 |
1375 |
|
|
17 |
A" |
1411 |
1275 |
0.903 |
223 |
1376 |
|
|
18 |
A" |
1284 |
1161 |
0.904 |
223 |
1377 |
|
|
19 |
A" |
877 |
812 |
0.926 |
223 |
1378 |
|
|
20 |
A" |
298 |
251 |
0.843 |
223 |
1379 |
|
|
21 |
A" |
260 |
200 |
0.770 |
223 |
1380 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3248 |
2996 |
0.922 |
224 |
1381 |
|
|
2 |
A1 |
3129 |
2817 |
0.900 |
224 |
1382 |
|
|
3 |
A1 |
1634 |
1464 |
0.896 |
224 |
1383 |
|
|
4 |
A1 |
1621 |
1452 |
0.896 |
224 |
1384 |
|
|
5 |
A1 |
1389 |
1244 |
0.896 |
224 |
1385 |
|
|
6 |
A1 |
1031 |
928 |
0.900 |
224 |
1386 |
|
|
7 |
A1 |
438 |
418 |
0.953 |
224 |
1387 |
|
|
8 |
A2 |
3161 |
2952 |
0.934 |
224 |
1388 |
|
|
9 |
A2 |
1609 |
1464 |
0.910 |
224 |
1389 |
|
|
10 |
A2 |
1266 |
1150 |
0.908 |
224 |
1390 |
|
|
11 |
A2 |
199 |
203 |
1.018 |
224 |
1391 |
|
|
12 |
B1 |
3162 |
2925 |
0.925 |
224 |
1392 |
|
|
13 |
B1 |
1620 |
1464 |
0.904 |
224 |
1393 |
|
|
14 |
B1 |
1302 |
1179 |
0.906 |
224 |
1394 |
|
|
15 |
B1 |
256 |
242 |
0.947 |
224 |
1395 |
|
|
16 |
B2 |
3246 |
2996 |
0.923 |
224 |
1396 |
|
|
17 |
B2 |
3115 |
2817 |
0.904 |
224 |
1397 |
|
|
18 |
B2 |
1618 |
1464 |
0.905 |
224 |
1398 |
|
|
19 |
B2 |
1585 |
1452 |
0.916 |
224 |
1399 |
|
|
20 |
B2 |
1333 |
1227 |
0.920 |
224 |
1400 |
|
|
21 |
B2 |
1218 |
1102 |
0.905 |
224 |
1401 |
C4H4O |
Furan |
1 |
A1 |
3435 |
3161 |
0.920 |
225 |
1402 |
|
|
2 |
A1 |
3403 |
3140 |
0.923 |
225 |
1403 |
|
|
3 |
A1 |
1659 |
1491 |
0.899 |
225 |
1404 |
|
|
4 |
A1 |
1533 |
1384 |
0.903 |
225 |
1405 |
|
|
5 |
A1 |
1255 |
1140 |
0.909 |
225 |
1406 |
|
|
6 |
A1 |
1150 |
1066 |
0.927 |
225 |
1407 |
|
|
7 |
A1 |
1077 |
995 |
0.924 |
225 |
1408 |
|
|
8 |
A1 |
953 |
871 |
0.914 |
225 |
1409 |
|
|
9 |
A2 |
1015 |
838 |
0.825 |
225 |
1410 |
|
|
10 |
A2 |
854 |
728 |
0.852 |
225 |
1411 |
|
|
11 |
A2 |
660 |
603 |
0.914 |
225 |
1412 |
|
|
12 |
B1 |
1004 |
863 |
0.860 |
225 |
1413 |
|
|
13 |
B1 |
858 |
745 |
0.868 |
225 |
1414 |
|
|
14 |
B1 |
658 |
613 |
0.932 |
225 |
1415 |
|
|
15 |
B2 |
3428 |
3154 |
0.920 |
225 |
1416 |
|
|
16 |
B2 |
3391 |
3129 |
0.923 |
225 |
1417 |
|
|
17 |
B2 |
1738 |
1556 |
0.895 |
225 |
1418 |
|
|
18 |
B2 |
1407 |
1267 |
0.901 |
225 |
1419 |
|
|
19 |
B2 |
1303 |
1180 |
0.906 |
225 |
1420 |
|
|
20 |
B2 |
1154 |
1040 |
0.901 |
225 |
1421 |
|
|
21 |
B2 |
959 |
873 |
0.910 |
225 |
1422 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3237 |
3001 |
0.927 |
226 |
1423 |
|
|
2 |
A' |
3228 |
2935 |
0.909 |
226 |
1424 |
|
|
3 |
A' |
2083 |
1882 |
0.904 |
226 |
1425 |
|
|
4 |
A' |
1656 |
1475 |
0.891 |
226 |
1426 |
|
|
5 |
A' |
1582 |
1427 |
0.902 |
226 |
1427 |
|
|
6 |
A' |
1495 |
1319 |
0.883 |
226 |
1428 |
|
|
7 |
A' |
1354 |
1199 |
0.885 |
226 |
1429 |
|
|
8 |
A' |
1250 |
1093 |
0.875 |
226 |
1430 |
|
|
9 |
A' |
1099 |
1005 |
0.915 |
226 |
1431 |
|
|
10 |
A' |
1073 |
924 |
0.862 |
226 |
1432 |
|
|
11 |
A' |
969 |
891 |
0.920 |
226 |
1433 |
|
|
12 |
A' |
827 |
746 |
0.902 |
226 |
1434 |
|
|
13 |
A' |
545 |
513 |
0.941 |
226 |
1435 |
|
|
14 |
A" |
3295 |
3028 |
0.919 |
226 |
1436 |
|
|
15 |
A" |
3278 |
3000 |
0.915 |
226 |
1437 |
|
|
16 |
A" |
1308 |
1184 |
0.906 |
226 |
1438 |
|
|
17 |
A" |
1271 |
1139 |
0.896 |
226 |
1439 |
|
|
18 |
A" |
1169 |
1046 |
0.895 |
226 |
1440 |
|
|
19 |
A" |
856 |
790 |
0.922 |
226 |
1441 |
|
|
20 |
A" |
572 |
490 |
0.856 |
226 |
1442 |
|
|
21 |
A" |
191 |
113 |
0.592 |
226 |
1443 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3226 |
2966 |
0.919 |
227 |
1444 |
|
|
1 |
A |
3251 |
2980 |
0.917 |
227 |
1445 |
|
|
2 |
A |
3225 |
2967 |
0.920 |
227 |
1446 |
|
|
2 |
A' |
3200 |
2872 |
0.897 |
227 |
1447 |
|
|
3 |
A' |
3164 |
2872 |
0.908 |
227 |
1448 |
|
|
3 |
A |
3214 |
2930 |
0.912 |
227 |
1449 |
|
|
4 |
A |
3196 |
2902 |
0.908 |
227 |
1450 |
|
|
4 |
A' |
2850 |
2580 |
0.905 |
227 |
1451 |
|
|
5 |
A' |
1620 |
1453 |
0.897 |
227 |
1452 |
|
|
5 |
A |
3156 |
2875 |
0.911 |
227 |
1453 |
|
|
6 |
A |
2844 |
2591 |
0.911 |
227 |
1454 |
|
|
6 |
A' |
1613 |
1453 |
0.901 |
227 |
1455 |
|
|
7 |
A' |
1538 |
1385 |
0.901 |
227 |
1456 |
|
|
7 |
A |
1614 |
1462 |
0.906 |
227 |
1457 |
|
|
8 |
A |
1608 |
1452 |
0.903 |
227 |
1458 |
|
|
8 |
A' |
1423 |
1309 |
0.920 |
227 |
1459 |
|
|
9 |
A' |
1200 |
1097 |
0.914 |
227 |
1460 |
|
|
9 |
A |
1599 |
1437 |
0.899 |
227 |
1461 |
|
|
10 |
A |
1537 |
1377 |
0.896 |
227 |
1462 |
|
|
10 |
A' |
1052 |
978 |
0.929 |
227 |
1463 |
|
|
11 |
A' |
934 |
870 |
0.931 |
227 |
1464 |
|
|
11 |
A |
1430 |
1269 |
0.887 |
227 |
1465 |
|
|
12 |
A |
1388 |
1246 |
0.898 |
227 |
1466 |
|
|
12 |
A' |
719 |
660 |
0.919 |
227 |
1467 |
|
|
13 |
A' |
325 |
332 |
1.021 |
227 |
1468 |
|
|
13 |
A |
1217 |
1093 |
0.898 |
227 |
1469 |
|
|
14 |
A |
1149 |
1051 |
0.915 |
227 |
1470 |
|
|
14 |
A" |
3254 |
2966 |
0.912 |
227 |
1471 |
|
|
15 |
A" |
3222 |
2930 |
0.909 |
227 |
1472 |
|
|
15 |
A |
1048 |
970 |
0.926 |
227 |
1473 |
|
|
16 |
A |
941 |
867 |
0.921 |
227 |
1474 |
|
|
16 |
A" |
1610 |
1453 |
0.903 |
227 |
1475 |
|
|
17 |
A" |
1374 |
1269 |
0.923 |
227 |
1476 |
|
|
17 |
A |
787 |
735 |
0.934 |
227 |
1477 |
|
|
18 |
A |
709 |
658 |
0.928 |
227 |
1478 |
|
|
18 |
A" |
1134 |
1049 |
0.925 |
227 |
1479 |
|
|
19 |
A" |
847 |
745 |
0.880 |
227 |
1480 |
|
|
19 |
A |
351 |
319 |
0.910 |
227 |
1481 |
|
|
20 |
A |
273 |
|
|
227 |
1482 |
|
|
21 |
A |
220 |
|
|
227 |
1483 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3261 |
2997 |
0.919 |
228 |
1484 |
|
|
2 |
A1 |
3171 |
2925 |
0.922 |
228 |
1485 |
|
|
3 |
A1 |
1606 |
1447 |
0.901 |
228 |
1486 |
|
|
4 |
A1 |
1492 |
1337 |
0.896 |
228 |
1487 |
|
|
5 |
A1 |
1144 |
1030 |
0.900 |
228 |
1488 |
|
|
6 |
A1 |
741 |
695 |
0.937 |
228 |
1489 |
|
|
7 |
A1 |
282 |
280 |
0.992 |
228 |
1490 |
|
|
8 |
A2 |
3247 |
2970 |
0.915 |
228 |
1491 |
|
|
9 |
A2 |
1583 |
1427 |
0.901 |
228 |
1492 |
|
|
10 |
A2 |
1035 |
946 |
0.914 |
228 |
1493 |
|
|
11 |
A2 |
191 |
175 |
0.915 |
228 |
1494 |
|
|
12 |
B1 |
3242 |
2970 |
0.916 |
228 |
1495 |
|
|
13 |
B1 |
1593 |
1439 |
0.903 |
228 |
1496 |
|
|
14 |
B1 |
1071 |
973 |
0.909 |
228 |
1497 |
|
|
15 |
B1 |
200 |
183 |
0.917 |
228 |
1498 |
|
|
16 |
B2 |
3261 |
2999 |
0.920 |
228 |
1499 |
|
|
17 |
B2 |
3172 |
2919 |
0.920 |
228 |
1500 |
|
|
18 |
B2 |
1599 |
1442 |
0.902 |
228 |
1501 |
|
|
19 |
B2 |
1467 |
1315 |
0.896 |
228 |
1502 |
|
|
20 |
B2 |
991 |
903 |
0.912 |
228 |
1503 |
|
|
21 |
B2 |
805 |
742 |
0.922 |
228 |
1504 |
C4H4S |
Thiophene |
1 |
A1 |
3397 |
3126 |
0.920 |
229 |
1505 |
|
|
2 |
A1 |
3360 |
3098 |
0.922 |
229 |
1506 |
|
|
3 |
A1 |
1558 |
1409 |
0.904 |
229 |
1507 |
|
|
4 |
A1 |
1517 |
1360 |
0.897 |
229 |
1508 |
|
|
5 |
A1 |
1194 |
1083 |
0.907 |
229 |
1509 |
|
|
6 |
A1 |
1097 |
1036 |
0.944 |
229 |
1510 |
|
|
7 |
A1 |
884 |
872 |
0.987 |
229 |
1511 |
|
|
8 |
A1 |
654 |
608 |
0.930 |
229 |
1512 |
|
|
9 |
A2 |
1048 |
867 |
0.827 |
229 |
1513 |
|
|
10 |
A2 |
801 |
688 |
0.859 |
229 |
1514 |
|
|
11 |
A2 |
614 |
567 |
0.923 |
229 |
1515 |
|
|
12 |
B1 |
1029 |
839 |
0.815 |
229 |
1516 |
|
|
13 |
B1 |
809 |
712 |
0.881 |
229 |
1517 |
|
|
14 |
B1 |
486 |
452 |
0.929 |
229 |
1518 |
|
|
15 |
B2 |
3394 |
3125 |
0.921 |
229 |
1519 |
|
|
16 |
B2 |
3345 |
3086 |
0.923 |
229 |
1520 |
|
|
17 |
B2 |
1706 |
1504 |
0.881 |
229 |
1521 |
|
|
18 |
B2 |
1399 |
1256 |
0.898 |
229 |
1522 |
|
|
19 |
B2 |
1198 |
1085 |
0.906 |
229 |
1523 |
|
|
20 |
B2 |
944 |
903 |
0.957 |
229 |
1524 |
|
|
21 |
B2 |
805 |
751 |
0.933 |
229 |
1525 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3365 |
3087 |
0.917 |
230 |
1526 |
|
|
2 |
Ag |
3295 |
3003 |
0.911 |
230 |
1527 |
|
|
3 |
Ag |
3278 |
2992 |
0.913 |
230 |
1528 |
|
|
4 |
Ag |
1859 |
1630 |
0.877 |
230 |
1529 |
|
|
5 |
Ag |
1593 |
1438 |
0.903 |
230 |
1530 |
|
|
6 |
Ag |
1418 |
1280 |
0.903 |
230 |
1531 |
|
|
7 |
Ag |
1312 |
1196 |
0.912 |
230 |
1532 |
|
|
8 |
Ag |
950 |
894 |
0.941 |
230 |
1533 |
|
|
9 |
Ag |
549 |
512 |
0.933 |
230 |
1534 |
|
|
10 |
Au |
1147 |
1013 |
0.883 |
230 |
1535 |
|
|
11 |
Au |
1067 |
908 |
0.851 |
230 |
1536 |
|
|
12 |
Au |
583 |
522 |
0.895 |
230 |
1537 |
|
|
13 |
Au |
171 |
162 |
0.947 |
230 |
1538 |
|
|
14 |
Bg |
1109 |
976 |
0.880 |
230 |
1539 |
|
|
15 |
Bg |
1060 |
912 |
0.861 |
230 |
1540 |
|
|
16 |
Bg |
848 |
770 |
0.908 |
230 |
1541 |
|
|
17 |
Bu |
3366 |
3101 |
0.921 |
230 |
1542 |
|
|
18 |
Bu |
3299 |
3055 |
0.926 |
230 |
1543 |
|
|
19 |
Bu |
3282 |
2984 |
0.909 |
230 |
1544 |
|
|
20 |
Bu |
1781 |
1596 |
0.896 |
230 |
1545 |
|
|
21 |
Bu |
1525 |
1381 |
0.906 |
230 |
1546 |
|
|
22 |
Bu |
1425 |
1294 |
0.908 |
230 |
1547 |
|
|
23 |
Bu |
1079 |
990 |
0.917 |
230 |
1548 |
|
|
24 |
Bu |
319 |
301 |
0.944 |
230 |
1549 |
CHCCH2CH3 |
1-Butyne |
1 |
A' |
3618 |
3332 |
0.921 |
231 |
1550 |
|
|
2 |
A' |
3230 |
2988 |
0.925 |
231 |
1551 |
|
|
3 |
A' |
3178 |
|
|
231 |
1552 |
|
|
4 |
A' |
3167 |
|
|
231 |
1553 |
|
|
5 |
A' |
2376 |
2116 |
0.891 |
231 |
1554 |
|
|
6 |
A' |
1620 |
1470 |
0.907 |
231 |
1555 |
|
|
7 |
A' |
1600 |
1446 |
0.904 |
231 |
1556 |
|
|
8 |
A' |
1536 |
1385 |
0.901 |
231 |
1557 |
|
|
9 |
A' |
1473 |
1322 |
0.898 |
231 |
1558 |
|
|
10 |
A' |
1180 |
1070 |
0.907 |
231 |
1559 |
|
|
11 |
A' |
1077 |
1008 |
0.936 |
231 |
1560 |
|
|
12 |
A' |
886 |
840 |
0.948 |
231 |
1561 |
|
|
13 |
A' |
810 |
634 |
0.783 |
231 |
1562 |
|
|
14 |
A' |
568 |
509 |
0.897 |
231 |
1563 |
|
|
15 |
A' |
227 |
197 |
0.867 |
231 |
1564 |
|
|
16 |
A" |
3240 |
2988 |
0.922 |
231 |
1565 |
|
|
17 |
A" |
3203 |
2939 |
0.918 |
231 |
1566 |
|
|
18 |
A" |
1611 |
1462 |
0.908 |
231 |
1567 |
|
|
19 |
A" |
1396 |
1261 |
0.903 |
231 |
1568 |
|
|
20 |
A" |
1208 |
1090 |
0.903 |
231 |
1569 |
|
|
21 |
A" |
848 |
782 |
0.922 |
231 |
1570 |
|
|
22 |
A" |
802 |
630 |
0.785 |
231 |
1571 |
|
|
23 |
A" |
405 |
344 |
0.849 |
231 |
1572 |
|
|
24 |
A" |
241 |
213 |
0.883 |
231 |
1573 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3171 |
2916 |
0.920 |
232 |
1574 |
|
|
2 |
A1' |
2533 |
2240 |
0.884 |
232 |
1575 |
|
|
3 |
A1' |
1539 |
1380 |
0.896 |
232 |
1576 |
|
|
4 |
A1' |
748 |
725 |
0.969 |
232 |
1577 |
|
|
6 |
A2" |
3171 |
2938 |
0.926 |
232 |
1578 |
|
|
7 |
A2" |
1534 |
1382 |
0.901 |
232 |
1579 |
|
|
8 |
A2" |
1204 |
1152 |
0.957 |
232 |
1580 |
|
|
9 |
E' |
3230 |
2973 |
0.920 |
232 |
1581 |
|
|
10 |
E' |
1600 |
1456 |
0.910 |
232 |
1582 |
|
|
11 |
E' |
1158 |
1054 |
0.910 |
232 |
1583 |
|
|
12 |
E' |
221 |
213 |
0.963 |
232 |
1584 |
|
|
13 |
E" |
3231 |
2966 |
0.918 |
232 |
1585 |
|
|
14 |
E" |
1600 |
1448 |
0.905 |
232 |
1586 |
|
|
15 |
E" |
1150 |
1029 |
0.895 |
232 |
1587 |
|
|
16 |
E" |
473 |
371 |
0.785 |
232 |
1588 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3283 |
3061 |
0.932 |
233 |
1589 |
|
|
2 |
A' |
3274 |
3010 |
0.919 |
233 |
1590 |
|
|
3 |
A' |
3243 |
2965 |
0.914 |
233 |
1591 |
|
|
4 |
A' |
3157 |
2905 |
0.920 |
233 |
1592 |
|
|
5 |
A' |
2186 |
1970 |
0.901 |
233 |
1593 |
|
|
6 |
A' |
1622 |
1453 |
0.896 |
233 |
1594 |
|
|
7 |
A' |
1595 |
1437 |
0.901 |
233 |
1595 |
|
|
8 |
A' |
1535 |
1389 |
0.905 |
233 |
1596 |
|
|
9 |
A' |
1471 |
1330 |
0.904 |
233 |
1597 |
|
|
10 |
A' |
1221 |
1132 |
0.927 |
233 |
1598 |
|
|
11 |
A' |
1184 |
1074 |
0.907 |
233 |
1599 |
|
|
12 |
A' |
1000 |
876 |
0.876 |
233 |
1600 |
|
|
13 |
A' |
931 |
859 |
0.923 |
233 |
1601 |
|
|
14 |
A' |
619 |
555 |
0.896 |
233 |
1602 |
|
|
15 |
A' |
232 |
210 |
0.905 |
233 |
1603 |
|
|
16 |
A" |
3350 |
3061 |
0.914 |
233 |
1604 |
|
|
17 |
A" |
3202 |
2965 |
0.926 |
233 |
1605 |
|
|
18 |
A" |
1601 |
1453 |
0.908 |
233 |
1606 |
|
|
19 |
A" |
1164 |
1110 |
0.954 |
233 |
1607 |
|
|
20 |
A" |
1116 |
1011 |
0.906 |
233 |
1608 |
|
|
21 |
A" |
978 |
842 |
0.861 |
233 |
1609 |
|
|
22 |
A" |
592 |
523 |
0.884 |
233 |
1610 |
|
|
23 |
A" |
377 |
322 |
0.854 |
233 |
1611 |
C4H6 |
Cyclobutene |
1 |
A1 |
3351 |
3060 |
0.913 |
234 |
1612 |
|
|
2 |
A1 |
3179 |
2935 |
0.923 |
234 |
1613 |
|
|
3 |
A1 |
1767 |
1570 |
0.889 |
234 |
1614 |
|
|
4 |
A1 |
1618 |
1450 |
0.896 |
234 |
1615 |
|
|
5 |
A1 |
1347 |
1276 |
0.947 |
234 |
1616 |
|
|
6 |
A1 |
1215 |
1186 |
0.976 |
234 |
1617 |
|
|
7 |
A1 |
1063 |
1113 |
1.047 |
234 |
1618 |
|
|
8 |
A1 |
951 |
886 |
0.932 |
234 |
1619 |
|
|
9 |
A2 |
3201 |
2955 |
0.923 |
234 |
1620 |
|
|
10 |
A2 |
1280 |
1276 |
0.997 |
234 |
1621 |
|
|
11 |
A2 |
1144 |
1081 |
0.945 |
234 |
1622 |
|
|
12 |
A2 |
1050 |
850 |
0.809 |
234 |
1623 |
|
|
13 |
A2 |
349 |
325 |
0.930 |
234 |
1624 |
|
|
14 |
B1 |
3219 |
2955 |
0.918 |
234 |
1625 |
|
|
15 |
B1 |
1198 |
1074 |
0.896 |
234 |
1626 |
|
|
16 |
B1 |
943 |
846 |
0.898 |
234 |
1627 |
|
|
17 |
B1 |
718 |
635 |
0.884 |
234 |
1628 |
|
|
18 |
B2 |
3317 |
3047 |
0.919 |
234 |
1629 |
|
|
19 |
B2 |
3169 |
2916 |
0.920 |
234 |
1630 |
|
|
20 |
B2 |
1593 |
1427 |
0.896 |
234 |
1631 |
|
|
21 |
B2 |
1446 |
1294 |
0.895 |
234 |
1632 |
|
|
22 |
B2 |
1357 |
1214 |
0.894 |
234 |
1633 |
|
|
23 |
B2 |
957 |
888 |
0.928 |
234 |
1634 |
|
|
24 |
B2 |
932 |
740 |
0.794 |
234 |
1635 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3274 |
3010 |
0.919 |
235 |
1636 |
|
|
2 |
A1 |
3255 |
3002 |
0.922 |
235 |
1637 |
|
|
3 |
A1 |
1965 |
1743 |
0.887 |
235 |
1638 |
|
|
4 |
A1 |
1611 |
1437 |
0.892 |
235 |
1639 |
|
|
5 |
A1 |
1562 |
1410 |
0.903 |
235 |
1640 |
|
|
6 |
A1 |
1157 |
1036 |
0.896 |
235 |
1641 |
|
|
7 |
A1 |
1125 |
1002 |
0.890 |
235 |
1642 |
|
|
8 |
A1 |
792 |
723 |
0.913 |
235 |
1643 |
|
|
9 |
A2 |
3322 |
3051 |
0.918 |
235 |
1644 |
|
|
10 |
A2 |
1269 |
1144 |
0.901 |
235 |
1645 |
|
|
11 |
A2 |
1036 |
937 |
0.905 |
235 |
1646 |
|
|
12 |
A2 |
669 |
616 |
0.921 |
235 |
1647 |
|
|
13 |
B1 |
3336 |
3071 |
0.920 |
235 |
1648 |
|
|
14 |
B1 |
1197 |
1072 |
0.896 |
235 |
1649 |
|
|
15 |
B1 |
1046 |
889 |
0.850 |
235 |
1650 |
|
|
16 |
B1 |
808 |
748 |
0.926 |
235 |
1651 |
|
|
17 |
B1 |
337 |
360 |
1.067 |
235 |
1652 |
|
|
18 |
B2 |
3353 |
3086 |
0.920 |
235 |
1653 |
|
|
19 |
B2 |
3250 |
2999 |
0.923 |
235 |
1654 |
|
|
20 |
B2 |
1571 |
1353 |
0.861 |
235 |
1655 |
|
|
21 |
B2 |
1240 |
1174 |
0.947 |
235 |
1656 |
|
|
22 |
B2 |
1195 |
1125 |
0.942 |
235 |
1657 |
|
|
23 |
B2 |
970 |
792 |
0.817 |
235 |
1658 |
|
|
24 |
B2 |
385 |
290 |
0.753 |
235 |
1659 |
C4H6 |
Bicyclo[1.1.0]butane |
1 |
A1 |
3396 |
3131 |
0.922 |
236 |
1660 |
|
|
2 |
A1 |
3296 |
3044 |
0.923 |
236 |
1661 |
|
|
3 |
A1 |
3202 |
2935 |
0.917 |
236 |
1662 |
|
|
4 |
A1 |
1657 |
1501 |
0.906 |
236 |
1663 |
|
|
5 |
A1 |
1396 |
1266 |
0.907 |
236 |
1664 |
|
|
6 |
A1 |
1195 |
1081 |
0.904 |
236 |
1665 |
|
|
7 |
A1 |
943 |
839 |
0.890 |
236 |
1666 |
|
|
8 |
A1 |
788 |
657 |
0.834 |
236 |
1667 |
|
|
9 |
A1 |
471 |
423 |
0.897 |
236 |
1668 |
|
|
10 |
A2 |
1289 |
1172 |
0.909 |
236 |
1669 |
|
|
11 |
A2 |
1187 |
1063 |
0.895 |
236 |
1670 |
|
|
12 |
A2 |
994 |
909 |
0.914 |
236 |
1671 |
|
|
13 |
A2 |
919 |
838 |
0.912 |
236 |
1672 |
|
|
14 |
B1 |
3381 |
3120 |
0.923 |
236 |
1673 |
|
|
15 |
B1 |
1281 |
1110 |
0.866 |
236 |
1674 |
|
|
16 |
B1 |
1233 |
1092 |
0.885 |
236 |
1675 |
|
|
17 |
B1 |
1119 |
980 |
0.876 |
236 |
1676 |
|
|
18 |
B1 |
804 |
737 |
0.916 |
236 |
1677 |
|
|
19 |
B2 |
3297 |
3044 |
0.923 |
236 |
1678 |
|
|
20 |
B2 |
3204 |
2969 |
0.927 |
236 |
1679 |
|
|
21 |
B2 |
1618 |
1485 |
0.918 |
236 |
1680 |
|
|
22 |
B2 |
1423 |
1261 |
0.886 |
236 |
1681 |
|
|
23 |
B2 |
1177 |
1081 |
0.919 |
236 |
1682 |
|
|
24 |
B2 |
1022 |
935 |
0.915 |
236 |
1683 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3717 |
3345 |
0.900 |
237 |
1684 |
|
|
2 |
A' |
3205 |
2985 |
0.931 |
237 |
1685 |
|
|
3 |
A' |
3167 |
2840 |
0.897 |
237 |
1686 |
|
|
4 |
A' |
3143 |
2860 |
0.910 |
237 |
1687 |
|
|
5 |
A' |
1793 |
1622 |
0.905 |
237 |
1688 |
|
|
6 |
A' |
1626 |
1487 |
0.914 |
237 |
1689 |
|
|
7 |
A' |
1605 |
1465 |
0.913 |
237 |
1690 |
|
|
8 |
A' |
1534 |
1378 |
0.898 |
237 |
1691 |
|
|
9 |
A' |
1500 |
1397 |
0.931 |
237 |
1692 |
|
|
10 |
A' |
1230 |
1016 |
0.826 |
237 |
1693 |
|
|
11 |
A' |
1142 |
1086 |
0.951 |
237 |
1694 |
|
|
12 |
A' |
951 |
892 |
0.938 |
237 |
1695 |
|
|
13 |
A' |
910 |
773 |
0.850 |
237 |
1696 |
|
|
14 |
A' |
430 |
403 |
0.937 |
237 |
1697 |
|
|
15 |
A" |
3795 |
3412 |
0.899 |
237 |
1698 |
|
|
16 |
A" |
3213 |
2924 |
0.910 |
237 |
1699 |
|
|
17 |
A" |
3182 |
2906 |
0.913 |
237 |
1700 |
|
|
18 |
A" |
1607 |
1455 |
0.905 |
237 |
1701 |
|
|
19 |
A" |
1497 |
1238 |
0.827 |
237 |
1702 |
|
|
20 |
A" |
1374 |
1293 |
0.941 |
237 |
1703 |
|
|
21 |
A" |
1076 |
1117 |
1.038 |
237 |
1704 |
|
|
22 |
A" |
833 |
816 |
0.979 |
237 |
1705 |
|
|
23 |
A" |
299 |
259 |
0.868 |
237 |
1706 |
|
|
24 |
A" |
262 |
218 |
0.832 |
237 |
1707 |
C4H5N |
Pyrrole |
1 |
A1 |
965 |
3531 |
3.660 |
238 |
1708 |
|
|
2 |
A1 |
1095 |
3149 |
2.875 |
238 |
1709 |
|
|
3 |
A1 |
1144 |
3128 |
2.734 |
238 |
1710 |
|
|
4 |
A1 |
1251 |
1472 |
1.177 |
238 |
1711 |
|
|
5 |
A1 |
1524 |
1401 |
0.920 |
238 |
1712 |
|
|
6 |
A1 |
1627 |
1148 |
0.706 |
238 |
1713 |
|
|
7 |
A1 |
3389 |
1075 |
0.317 |
238 |
1714 |
|
|
8 |
A1 |
3412 |
1017 |
0.298 |
238 |
1715 |
|
|
9 |
A1 |
3914 |
882 |
0.225 |
238 |
1716 |
|
|
10 |
A2 |
676 |
864 |
1.279 |
238 |
1717 |
|
|
11 |
A2 |
816 |
692 |
0.848 |
238 |
1718 |
|
|
12 |
A2 |
1009 |
614 |
0.609 |
238 |
1719 |
|
|
13 |
B1 |
519 |
827 |
1.594 |
238 |
1720 |
|
|
14 |
B1 |
682 |
722 |
1.058 |
238 |
1721 |
|
|
15 |
B1 |
829 |
621 |
0.749 |
238 |
1722 |
|
|
16 |
B1 |
984 |
475 |
0.482 |
238 |
1723 |
|
|
17 |
B2 |
943 |
3143 |
3.332 |
238 |
1724 |
|
|
18 |
B2 |
1151 |
3119 |
2.709 |
238 |
1725 |
|
|
19 |
B2 |
1235 |
1519 |
1.230 |
238 |
1726 |
|
|
20 |
B2 |
1426 |
1424 |
0.999 |
238 |
1727 |
|
|
21 |
B2 |
1568 |
1288 |
0.822 |
238 |
1728 |
|
|
22 |
B2 |
1716 |
1134 |
0.661 |
238 |
1729 |
|
|
23 |
B2 |
3377 |
1049 |
0.311 |
238 |
1730 |
|
|
24 |
B2 |
3406 |
866 |
0.254 |
238 |
1731 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3379 |
3120 |
0.923 |
239 |
1732 |
|
|
2 |
A' |
3331 |
3052 |
0.916 |
239 |
1733 |
|
|
3 |
A' |
3289 |
3044 |
0.926 |
239 |
1734 |
|
|
4 |
A' |
2578 |
2264 |
0.878 |
239 |
1735 |
|
|
5 |
A' |
1638 |
1468 |
0.896 |
239 |
1736 |
|
|
6 |
A' |
1499 |
1344 |
0.896 |
239 |
1737 |
|
|
7 |
A' |
1297 |
1195 |
0.921 |
239 |
1738 |
|
|
8 |
A' |
1228 |
1125 |
0.916 |
239 |
1739 |
|
|
9 |
A' |
1184 |
1049 |
0.886 |
239 |
1740 |
|
|
10 |
A' |
1014 |
941 |
0.928 |
239 |
1741 |
|
|
11 |
A' |
866 |
808 |
0.933 |
239 |
1742 |
|
|
12 |
A' |
801 |
736 |
0.919 |
239 |
1743 |
|
|
13 |
A' |
582 |
527 |
0.906 |
239 |
1744 |
|
|
14 |
A' |
236 |
222 |
0.940 |
239 |
1745 |
|
|
15 |
A" |
3364 |
3094 |
0.920 |
239 |
1746 |
|
|
16 |
A" |
3282 |
3040 |
0.926 |
239 |
1747 |
|
|
17 |
A" |
1593 |
1442 |
0.905 |
239 |
1748 |
|
|
18 |
A" |
1303 |
1180 |
0.906 |
239 |
1749 |
|
|
19 |
A" |
1231 |
1070 |
0.869 |
239 |
1750 |
|
|
20 |
A" |
1206 |
1088 |
0.902 |
239 |
1751 |
|
|
21 |
A" |
1006 |
880 |
0.875 |
239 |
1752 |
|
|
22 |
A" |
890 |
821 |
0.923 |
239 |
1753 |
|
|
23 |
A" |
611 |
543 |
0.889 |
239 |
1754 |
|
|
24 |
A" |
239 |
222 |
0.927 |
239 |
1755 |
C4H4N2 |
Succinonitrile |
1 |
Ag |
3212 |
2947 |
0.917 |
240 |
1756 |
|
|
2 |
Ag |
2592 |
2254 |
0.869 |
240 |
1757 |
|
|
3 |
Ag |
1596 |
1422 |
0.891 |
240 |
1758 |
|
|
4 |
Ag |
1523 |
1328 |
0.872 |
240 |
1759 |
|
|
5 |
Ag |
1099 |
1023 |
0.931 |
240 |
1760 |
|
|
6 |
Ag |
1027 |
809 |
0.788 |
240 |
1761 |
|
|
7 |
Ag |
560 |
508 |
0.907 |
240 |
1762 |
|
|
8 |
Ag |
248 |
187 |
0.753 |
240 |
1763 |
|
|
9 |
Au |
3270 |
2985 |
0.913 |
240 |
1764 |
|
|
10 |
Au |
1316 |
1197 |
0.909 |
240 |
1765 |
|
|
11 |
Au |
832 |
760 |
0.914 |
240 |
1766 |
|
|
12 |
Au |
446 |
357 |
0.800 |
240 |
1767 |
|
|
13 |
Au |
85 |
|
|
240 |
1768 |
|
|
14 |
Bg |
3249 |
2982 |
0.918 |
240 |
1769 |
|
|
15 |
Bg |
1428 |
1226 |
0.859 |
240 |
1770 |
|
|
16 |
Bg |
1139 |
951 |
0.835 |
240 |
1771 |
|
|
17 |
Bg |
407 |
387 |
0.950 |
240 |
1772 |
|
|
18 |
Bu |
3220 |
2965 |
0.921 |
240 |
1773 |
|
|
19 |
Bu |
2593 |
2255 |
0.870 |
240 |
1774 |
|
|
20 |
Bu |
1605 |
1425 |
0.888 |
240 |
1775 |
|
|
21 |
Bu |
1408 |
1270 |
0.902 |
240 |
1776 |
|
|
22 |
Bu |
968 |
917 |
0.947 |
240 |
1777 |
|
|
23 |
Bu |
585 |
526 |
0.899 |
240 |
1778 |
|
|
24 |
Bu |
145 |
|
|
240 |
1779 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3362 |
3063 |
0.911 |
241 |
1780 |
|
|
2 |
A1 |
3337 |
3043 |
0.912 |
241 |
1781 |
|
|
3 |
A1 |
1767 |
1572 |
0.890 |
241 |
1782 |
|
|
4 |
A1 |
1619 |
1414 |
0.873 |
241 |
1783 |
|
|
5 |
A1 |
1271 |
1283 |
1.010 |
241 |
1784 |
|
|
6 |
A1 |
1212 |
1160 |
0.957 |
241 |
1785 |
|
|
7 |
A1 |
1157 |
1063 |
0.919 |
241 |
1786 |
|
|
8 |
A1 |
1035 |
964 |
0.931 |
241 |
1787 |
|
|
9 |
A1 |
732 |
619 |
0.845 |
241 |
1788 |
|
|
10 |
A2 |
1137 |
936 |
0.823 |
241 |
1789 |
|
|
11 |
A2 |
1050 |
863 |
0.822 |
241 |
1790 |
|
|
12 |
A2 |
842 |
751 |
0.892 |
241 |
1791 |
|
|
13 |
A2 |
433 |
421 |
0.972 |
241 |
1792 |
|
|
14 |
B1 |
1096 |
|
|
241 |
1793 |
|
|
15 |
B1 |
848 |
760 |
0.896 |
241 |
1794 |
|
|
16 |
B1 |
445 |
370 |
0.831 |
241 |
1795 |
|
|
17 |
B2 |
3349 |
3075 |
0.918 |
241 |
1796 |
|
|
18 |
B2 |
3330 |
3043 |
0.914 |
241 |
1797 |
|
|
19 |
B2 |
1771 |
1565 |
0.884 |
241 |
1798 |
|
|
20 |
B2 |
1573 |
1444 |
0.918 |
241 |
1799 |
|
|
21 |
B2 |
1433 |
1239 |
0.865 |
241 |
1800 |
|
|
22 |
B2 |
1161 |
1052 |
0.906 |
241 |
1801 |
|
|
23 |
B2 |
1139 |
1009 |
0.886 |
241 |
1802 |
|
|
24 |
B2 |
682 |
664 |
0.974 |
241 |
1803 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3365 |
3082 |
0.916 |
242 |
1804 |
|
|
2 |
A1 |
3338 |
3053 |
0.915 |
242 |
1805 |
|
|
3 |
A1 |
3317 |
3049 |
0.919 |
242 |
1806 |
|
|
4 |
A1 |
1776 |
1572 |
0.885 |
242 |
1807 |
|
|
5 |
A1 |
1559 |
1465 |
0.940 |
242 |
1808 |
|
|
6 |
A1 |
1251 |
1155 |
0.923 |
242 |
1809 |
|
|
7 |
A1 |
1157 |
1065 |
0.921 |
242 |
1810 |
|
|
8 |
A1 |
1094 |
969 |
0.886 |
242 |
1811 |
|
|
9 |
A1 |
748 |
679 |
0.908 |
242 |
1812 |
|
|
10 |
A2 |
1133 |
960 |
0.848 |
242 |
1813 |
|
|
11 |
A2 |
460 |
398 |
0.866 |
242 |
1814 |
|
|
12 |
B1 |
1161 |
1033 |
0.890 |
242 |
1815 |
|
|
13 |
B1 |
1101 |
980 |
0.890 |
242 |
1816 |
|
|
14 |
B1 |
908 |
804 |
0.885 |
242 |
1817 |
|
|
15 |
B1 |
784 |
719 |
0.917 |
242 |
1818 |
|
|
16 |
B1 |
412 |
347 |
0.843 |
242 |
1819 |
|
|
17 |
B2 |
3322 |
3047 |
0.917 |
242 |
1820 |
|
|
18 |
B2 |
1777 |
1569 |
0.883 |
242 |
1821 |
|
|
19 |
B2 |
1626 |
1411 |
0.868 |
242 |
1822 |
|
|
20 |
B2 |
1509 |
1356 |
0.899 |
242 |
1823 |
|
|
21 |
B2 |
1346 |
1224 |
0.910 |
242 |
1824 |
|
|
22 |
B2 |
1195 |
1158 |
0.969 |
242 |
1825 |
|
|
23 |
B2 |
1137 |
1071 |
0.942 |
242 |
1826 |
|
|
24 |
B2 |
682 |
621 |
0.910 |
242 |
1827 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3347 |
3055 |
0.913 |
243 |
1828 |
|
|
2 |
Ag |
1785 |
1580 |
0.885 |
243 |
1829 |
|
|
3 |
Ag |
1348 |
1233 |
0.914 |
243 |
1830 |
|
|
4 |
Ag |
1121 |
1016 |
0.907 |
243 |
1831 |
|
|
5 |
Ag |
655 |
602 |
0.919 |
243 |
1832 |
|
|
6 |
Au |
1126 |
960 |
0.853 |
243 |
1833 |
|
|
7 |
Au |
423 |
350 |
0.827 |
243 |
1834 |
|
|
8 |
B1g |
1044 |
927 |
0.888 |
243 |
1835 |
|
|
9 |
B1u |
3323 |
3012 |
0.906 |
243 |
1836 |
|
|
10 |
B1u |
1656 |
1483 |
0.895 |
243 |
1837 |
|
|
11 |
B1u |
1252 |
1130 |
0.903 |
243 |
1838 |
|
|
12 |
B1u |
1118 |
1018 |
0.911 |
243 |
1839 |
|
|
13 |
B2g |
1103 |
983 |
0.891 |
243 |
1840 |
|
|
14 |
B2g |
841 |
756 |
0.899 |
243 |
1841 |
|
|
15 |
B2u |
3341 |
3069 |
0.919 |
243 |
1842 |
|
|
16 |
B2u |
1558 |
1411 |
0.906 |
243 |
1843 |
|
|
17 |
B2u |
1187 |
1149 |
0.968 |
243 |
1844 |
|
|
18 |
B2u |
1076 |
1063 |
0.988 |
243 |
1845 |
|
|
19 |
B3g |
3322 |
3040 |
0.915 |
243 |
1846 |
|
|
20 |
B3g |
1744 |
1525 |
0.874 |
243 |
1847 |
|
|
21 |
B3g |
1487 |
1346 |
0.905 |
243 |
1848 |
|
|
22 |
B3g |
773 |
704 |
0.910 |
243 |
1849 |
|
|
23 |
B3u |
896 |
785 |
0.876 |
243 |
1850 |
|
|
24 |
B3u |
490 |
418 |
0.853 |
243 |
1851 |
C3H6O |
2-Propen-1-ol |
1 |
A |
4168 |
3675 |
0.882 |
244 |
1852 |
|
|
2 |
A |
3359 |
3102 |
0.923 |
244 |
1853 |
|
|
3 |
A |
3300 |
3022 |
0.916 |
244 |
1854 |
|
|
4 |
A |
3277 |
2995 |
0.914 |
244 |
1855 |
|
|
5 |
A |
3173 |
2934 |
0.925 |
244 |
1856 |
|
|
6 |
A |
3132 |
2866 |
0.915 |
244 |
1857 |
|
|
7 |
A |
1847 |
1654 |
0.895 |
244 |
1858 |
|
|
8 |
A |
1640 |
1453 |
0.886 |
244 |
1859 |
|
|
9 |
A |
1598 |
1414 |
0.885 |
244 |
1860 |
|
|
10 |
A |
1541 |
1384 |
0.898 |
244 |
1861 |
|
|
11 |
A |
1419 |
1320 |
0.930 |
244 |
1862 |
|
|
12 |
A |
1384 |
1293 |
0.934 |
244 |
1863 |
|
|
13 |
A |
1339 |
1191 |
0.889 |
244 |
1864 |
|
|
14 |
A |
1252 |
1132 |
0.904 |
244 |
1865 |
|
|
15 |
A |
1173 |
1110 |
0.947 |
244 |
1866 |
|
|
16 |
A |
1131 |
1038 |
0.918 |
244 |
1867 |
|
|
17 |
A |
1077 |
995 |
0.924 |
244 |
1868 |
|
|
18 |
A |
1048 |
919 |
0.877 |
244 |
1869 |
|
|
19 |
A |
978 |
885 |
0.905 |
244 |
1870 |
|
|
20 |
A |
710 |
606 |
0.854 |
244 |
1871 |
|
|
22 |
A |
362 |
377 |
1.043 |
244 |
1872 |
|
|
23 |
A |
264 |
277 |
1.049 |
244 |
1873 |
|
|
24 |
A |
124 |
188 |
1.515 |
244 |
1874 |
CH3CH2CHO |
Propanal |
1 |
A' |
3233 |
2981 |
0.922 |
245 |
1875 |
|
|
2 |
A' |
3174 |
2904 |
0.915 |
245 |
1876 |
|
|
3 |
A' |
3147 |
2895 |
0.920 |
245 |
1877 |
|
|
4 |
A' |
3072 |
2809 |
0.914 |
245 |
1878 |
|
|
5 |
A' |
1990 |
1743 |
0.876 |
245 |
1879 |
|
|
6 |
A' |
1616 |
1460 |
0.903 |
245 |
1880 |
|
|
7 |
A' |
1577 |
1416 |
0.898 |
245 |
1881 |
|
|
8 |
A' |
1548 |
1390 |
0.898 |
245 |
1882 |
|
|
9 |
A' |
1529 |
1376 |
0.900 |
245 |
1883 |
|
|
10 |
A' |
1498 |
1335 |
0.891 |
245 |
1884 |
|
|
11 |
A' |
1197 |
1093 |
0.913 |
245 |
1885 |
|
|
12 |
A' |
1070 |
993 |
0.928 |
245 |
1886 |
|
|
13 |
A' |
902 |
848 |
0.940 |
245 |
1887 |
|
|
14 |
A' |
718 |
668 |
0.930 |
245 |
1888 |
|
|
15 |
A' |
272 |
271 |
0.995 |
245 |
1889 |
|
|
16 |
A" |
3243 |
2992 |
0.922 |
245 |
1890 |
|
|
17 |
A" |
3166 |
2942 |
0.929 |
245 |
1891 |
|
|
18 |
A" |
1609 |
1451 |
0.902 |
245 |
1892 |
|
|
19 |
A" |
1395 |
1250 |
0.896 |
245 |
1893 |
|
|
20 |
A" |
1264 |
1118 |
0.884 |
245 |
1894 |
|
|
21 |
A" |
985 |
892 |
0.906 |
245 |
1895 |
|
|
22 |
A" |
731 |
660 |
0.903 |
245 |
1896 |
|
|
23 |
A" |
250 |
220 |
0.878 |
245 |
1897 |
|
|
24 |
A" |
146 |
135 |
0.926 |
245 |
1898 |
C3H6O |
Oxetane |
1 |
A1 |
3215 |
2959 |
0.920 |
246 |
1899 |
|
|
2 |
A1 |
3181 |
2930 |
0.921 |
246 |
1900 |
|
|
3 |
A1 |
1673 |
1473 |
0.881 |
246 |
1901 |
|
|
4 |
A1 |
1615 |
1461 |
0.905 |
246 |
1902 |
|
|
5 |
A1 |
1511 |
1342 |
0.888 |
246 |
1903 |
|
|
6 |
A1 |
1135 |
1134 |
0.999 |
246 |
1904 |
|
|
7 |
A1 |
1017 |
1018 |
1.001 |
246 |
1905 |
|
|
8 |
A1 |
892 |
908 |
1.018 |
246 |
1906 |
|
|
9 |
A2 |
3214 |
3000 |
0.933 |
246 |
1907 |
|
|
10 |
A2 |
1332 |
1283 |
0.963 |
246 |
1908 |
|
|
11 |
A2 |
1264 |
1185 |
0.938 |
246 |
1909 |
|
|
12 |
A2 |
892 |
986 |
1.105 |
246 |
1910 |
|
|
13 |
B1 |
3263 |
3007 |
0.922 |
246 |
1911 |
|
|
14 |
B1 |
3211 |
2940 |
0.916 |
246 |
1912 |
|
|
15 |
B1 |
1309 |
1225 |
0.936 |
246 |
1913 |
|
|
16 |
B1 |
1262 |
1142 |
0.905 |
246 |
1914 |
|
|
17 |
B1 |
819 |
836 |
1.021 |
246 |
1915 |
|
|
18 |
B1 |
80 |
90 |
1.127 |
246 |
1916 |
|
|
19 |
B2 |
3173 |
2966 |
0.935 |
246 |
1917 |
|
|
20 |
B2 |
1643 |
1508 |
0.918 |
246 |
1918 |
|
|
21 |
B2 |
1437 |
1458 |
1.015 |
246 |
1919 |
|
|
22 |
B2 |
1380 |
1363 |
0.987 |
246 |
1920 |
|
|
23 |
B2 |
1156 |
1228 |
1.063 |
246 |
1921 |
|
|
24 |
B2 |
996 |
936 |
0.940 |
246 |
1922 |
C3H6S |
Thietane |
1 |
A' |
3270 |
2994 |
0.916 |
247 |
1923 |
|
|
2 |
A' |
3228 |
2972 |
0.921 |
247 |
1924 |
|
|
3 |
A' |
3212 |
2946 |
0.917 |
247 |
1925 |
|
|
4 |
A' |
3185 |
2903 |
0.911 |
247 |
1926 |
|
|
5 |
A' |
1637 |
1470 |
0.898 |
247 |
1927 |
|
|
6 |
A' |
1604 |
1452 |
0.905 |
247 |
1928 |
|
|
7 |
A' |
1380 |
1224 |
0.887 |
247 |
1929 |
|
|
8 |
A' |
1311 |
1183 |
0.902 |
247 |
1930 |
|
|
9 |
A' |
1067 |
975 |
0.914 |
247 |
1931 |
|
|
10 |
A' |
1001 |
933 |
0.932 |
247 |
1932 |
|
|
11 |
A' |
917 |
845 |
0.921 |
247 |
1933 |
|
|
12 |
A' |
766 |
700 |
0.914 |
247 |
1934 |
|
|
13 |
A' |
586 |
529 |
0.902 |
247 |
1935 |
|
|
14 |
A' |
144 |
|
|
247 |
1936 |
|
|
15 |
A" |
3264 |
2994 |
0.917 |
247 |
1937 |
|
|
16 |
A" |
3210 |
2950 |
0.919 |
247 |
1938 |
|
|
17 |
A" |
1609 |
1454 |
0.903 |
247 |
1939 |
|
|
18 |
A" |
1429 |
1281 |
0.896 |
247 |
1940 |
|
|
19 |
A" |
1364 |
1229 |
0.901 |
247 |
1941 |
|
|
20 |
A" |
1305 |
1165 |
0.893 |
247 |
1942 |
|
|
21 |
A" |
1118 |
1011 |
0.905 |
247 |
1943 |
|
|
22 |
A" |
1047 |
986 |
0.942 |
247 |
1944 |
|
|
23 |
A" |
886 |
823 |
0.929 |
247 |
1945 |
|
|
24 |
A" |
745 |
677 |
0.909 |
247 |
1946 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3279 |
2990 |
0.912 |
248 |
1947 |
|
|
2 |
A |
3260 |
2983 |
0.915 |
248 |
1948 |
|
|
3 |
A |
3182 |
2913 |
0.916 |
248 |
1949 |
|
|
4 |
A |
1598 |
1426 |
0.893 |
248 |
1950 |
|
|
5 |
A |
1584 |
1419 |
0.896 |
248 |
1951 |
|
|
6 |
A |
1478 |
1311 |
0.887 |
248 |
1952 |
|
|
7 |
A |
1060 |
955 |
0.901 |
248 |
1953 |
|
|
8 |
A |
1060 |
949 |
0.896 |
248 |
1954 |
|
|
9 |
A |
760 |
694 |
0.913 |
248 |
1955 |
|
|
10 |
A |
551 |
509 |
0.924 |
248 |
1956 |
|
|
11 |
A |
252 |
240 |
0.953 |
248 |
1957 |
|
|
12 |
A |
167 |
134 |
0.803 |
248 |
1958 |
|
|
13 |
A |
103 |
117 |
1.140 |
248 |
1959 |
|
|
14 |
B |
3278 |
2990 |
0.912 |
248 |
1960 |
|
|
15 |
B |
3259 |
2983 |
0.915 |
248 |
1961 |
|
|
16 |
B |
3180 |
2915 |
0.917 |
248 |
1962 |
|
|
17 |
B |
1601 |
1430 |
0.893 |
248 |
1963 |
|
|
18 |
B |
1579 |
1415 |
0.896 |
248 |
1964 |
|
|
19 |
B |
1470 |
1303 |
0.887 |
248 |
1965 |
|
|
20 |
B |
1065 |
955 |
0.897 |
248 |
1966 |
|
|
21 |
B |
1050 |
949 |
0.904 |
248 |
1967 |
|
|
22 |
B |
753 |
691 |
0.918 |
248 |
1968 |
|
|
23 |
B |
283 |
274 |
0.969 |
248 |
1969 |
|
|
24 |
B |
175 |
134 |
0.765 |
248 |
1970 |
C3H8 |
Propane |
1 |
A1 |
3210 |
2977 |
0.927 |
249 |
1971 |
|
|
2 |
A1 |
3152 |
2962 |
0.940 |
249 |
1972 |
|
|
3 |
A1 |
3146 |
2887 |
0.918 |
249 |
1973 |
|
|
4 |
A1 |
1629 |
1476 |
0.906 |
249 |
1974 |
|
|
5 |
A1 |
1607 |
1462 |
0.910 |
249 |
1975 |
|
|
6 |
A1 |
1542 |
1392 |
0.903 |
249 |
1976 |
|
|
7 |
A1 |
1273 |
1158 |
0.910 |
249 |
1977 |
|
|
8 |
A1 |
920 |
869 |
0.944 |
249 |
1978 |
|
|
9 |
A1 |
391 |
369 |
0.944 |
249 |
1979 |
|
|
10 |
A2 |
3196 |
2967 |
0.928 |
249 |
1980 |
|
|
11 |
A2 |
1604 |
1451 |
0.904 |
249 |
1981 |
|
|
12 |
A2 |
1420 |
1278 |
0.900 |
249 |
1982 |
|
|
13 |
A2 |
975 |
940 |
0.964 |
249 |
1983 |
|
|
14 |
A2 |
232 |
216 |
0.930 |
249 |
1984 |
|
|
15 |
B1 |
3212 |
2973 |
0.926 |
249 |
1985 |
|
|
16 |
B1 |
3163 |
2968 |
0.938 |
249 |
1986 |
|
|
17 |
B1 |
1622 |
1472 |
0.908 |
249 |
1987 |
|
|
18 |
B1 |
1318 |
1192 |
0.905 |
249 |
1988 |
|
|
19 |
B1 |
802 |
748 |
0.932 |
249 |
1989 |
|
|
20 |
B1 |
292 |
268 |
0.918 |
249 |
1990 |
|
|
21 |
B2 |
3206 |
2968 |
0.926 |
249 |
1991 |
|
|
22 |
B2 |
3145 |
2887 |
0.918 |
249 |
1992 |
|
|
23 |
B2 |
1611 |
1464 |
0.909 |
249 |
1993 |
|
|
24 |
B2 |
1531 |
1378 |
0.900 |
249 |
1994 |
|
|
25 |
B2 |
1484 |
1338 |
0.901 |
249 |
1995 |
|
|
26 |
B2 |
1117 |
1054 |
0.944 |
249 |
1996 |
|
|
27 |
B2 |
1003 |
922 |
0.919 |
249 |
1997 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3372 |
3091 |
0.917 |
250 |
1998 |
|
|
2 |
A1 |
3346 |
3075 |
0.919 |
250 |
1999 |
|
|
3 |
A1 |
3155 |
2886 |
0.915 |
250 |
2000 |
|
|
4 |
A1 |
1707 |
1500 |
0.879 |
250 |
2001 |
|
|
5 |
A1 |
1552 |
1378 |
0.888 |
250 |
2002 |
|
|
6 |
A1 |
1517 |
1365 |
0.900 |
250 |
2003 |
|
|
7 |
A1 |
1219 |
1106 |
0.907 |
250 |
2004 |
|
|
8 |
A1 |
1056 |
994 |
0.941 |
250 |
2005 |
|
|
9 |
A1 |
975 |
915 |
0.938 |
250 |
2006 |
|
|
10 |
A1 |
867 |
802 |
0.925 |
250 |
2007 |
|
|
11 |
A2 |
1243 |
1100 |
0.885 |
250 |
2008 |
|
|
12 |
A2 |
1073 |
941 |
0.877 |
250 |
2009 |
|
|
13 |
A2 |
807 |
700 |
0.867 |
250 |
2010 |
|
|
14 |
A2 |
561 |
516 |
0.921 |
250 |
2011 |
|
|
15 |
B1 |
3178 |
2900 |
0.913 |
250 |
2012 |
|
|
16 |
B1 |
1086 |
925 |
0.851 |
250 |
2013 |
|
|
17 |
B1 |
1024 |
891 |
0.870 |
250 |
2014 |
|
|
18 |
B1 |
744 |
664 |
0.892 |
250 |
2015 |
|
|
19 |
B1 |
382 |
350 |
0.916 |
250 |
2016 |
|
|
20 |
B2 |
3364 |
3105 |
0.923 |
250 |
2017 |
|
|
21 |
B2 |
3336 |
3043 |
0.912 |
250 |
2018 |
|
|
22 |
B2 |
1782 |
1580 |
0.886 |
250 |
2019 |
|
|
23 |
B2 |
1439 |
1292 |
0.898 |
250 |
2020 |
|
|
24 |
B2 |
1398 |
1239 |
0.886 |
250 |
2021 |
|
|
25 |
B2 |
1203 |
1090 |
0.906 |
250 |
2022 |
|
|
26 |
B2 |
1027 |
959 |
0.934 |
250 |
2023 |
|
|
27 |
B2 |
867 |
805 |
0.928 |
250 |
2024 |
C5H5N |
Pyridine |
1 |
A1 |
3354 |
3094 |
0.922 |
251 |
2025 |
|
|
2 |
A1 |
3326 |
3073 |
0.924 |
251 |
2026 |
|
|
3 |
A1 |
3313 |
3030 |
0.915 |
251 |
2027 |
|
|
4 |
A1 |
1777 |
1584 |
0.891 |
251 |
2028 |
|
|
5 |
A1 |
1644 |
1483 |
0.902 |
251 |
2029 |
|
|
6 |
A1 |
1334 |
1218 |
0.913 |
251 |
2030 |
|
|
7 |
A1 |
1172 |
1072 |
0.915 |
251 |
2031 |
|
|
8 |
A1 |
1119 |
1032 |
0.922 |
251 |
2032 |
|
|
9 |
A1 |
1085 |
991 |
0.914 |
251 |
2033 |
|
|
10 |
A1 |
658 |
601 |
0.914 |
251 |
2034 |
|
|
11 |
A2 |
1132 |
980 |
0.866 |
251 |
2035 |
|
|
12 |
A2 |
983 |
880 |
0.895 |
251 |
2036 |
|
|
13 |
A2 |
434 |
373 |
0.860 |
251 |
2037 |
|
|
14 |
B1 |
1131 |
1007 |
0.890 |
251 |
2038 |
|
|
15 |
B1 |
1077 |
937 |
0.870 |
251 |
2039 |
|
|
16 |
B1 |
839 |
744 |
0.887 |
251 |
2040 |
|
|
17 |
B1 |
775 |
700 |
0.903 |
251 |
2041 |
|
|
18 |
B1 |
462 |
403 |
0.873 |
251 |
2042 |
|
|
19 |
B2 |
3346 |
3087 |
0.922 |
251 |
2043 |
|
|
20 |
B2 |
3312 |
3042 |
0.919 |
251 |
2044 |
|
|
21 |
B2 |
1766 |
1581 |
0.895 |
251 |
2045 |
|
|
22 |
B2 |
1591 |
1442 |
0.906 |
251 |
2046 |
|
|
23 |
B2 |
1500 |
1362 |
0.908 |
251 |
2047 |
|
|
24 |
B2 |
1298 |
1227 |
0.945 |
251 |
2048 |
|
|
25 |
B2 |
1163 |
1143 |
0.983 |
251 |
2049 |
|
|
26 |
B2 |
1143 |
1079 |
0.944 |
251 |
2050 |
|
|
27 |
B2 |
716 |
652 |
0.911 |
251 |
2051 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3321 |
3058 |
0.921 |
252 |
2052 |
|
|
2 |
A' |
3279 |
2995 |
0.913 |
252 |
2053 |
|
|
3 |
A' |
3243 |
2963 |
0.914 |
252 |
2054 |
|
|
4 |
A' |
3159 |
2938 |
0.930 |
252 |
2055 |
|
|
5 |
A' |
3089 |
2805 |
0.908 |
252 |
2056 |
|
|
6 |
A' |
1965 |
1720 |
0.875 |
252 |
2057 |
|
|
7 |
A' |
1845 |
1649 |
0.894 |
252 |
2058 |
|
|
8 |
A' |
1601 |
1455 |
0.909 |
252 |
2059 |
|
|
9 |
A' |
1542 |
1391 |
0.902 |
252 |
2060 |
|
|
10 |
A' |
1535 |
1375 |
0.896 |
252 |
2061 |
|
|
11 |
A' |
1433 |
1304 |
0.910 |
252 |
2062 |
|
|
12 |
A' |
1388 |
1253 |
0.903 |
252 |
2063 |
|
|
13 |
A' |
1253 |
1147 |
0.916 |
252 |
2064 |
|
|
14 |
A' |
1151 |
1074 |
0.933 |
252 |
2065 |
|
|
15 |
A' |
1005 |
973 |
0.969 |
252 |
2066 |
|
|
16 |
A' |
582 |
539 |
0.926 |
252 |
2067 |
|
|
17 |
A' |
490 |
464 |
0.948 |
252 |
2068 |
|
|
18 |
A' |
226 |
230 |
1.016 |
252 |
2069 |
|
|
19 |
A" |
3205 |
2980 |
0.930 |
252 |
2070 |
|
|
20 |
A" |
1597 |
1455 |
0.911 |
252 |
2071 |
|
|
21 |
A" |
1185 |
1042 |
0.879 |
252 |
2072 |
|
|
22 |
A" |
1144 |
973 |
0.851 |
252 |
2073 |
|
|
23 |
A" |
1100 |
928 |
0.843 |
252 |
2074 |
|
|
24 |
A" |
871 |
780 |
0.895 |
252 |
2075 |
|
|
25 |
A" |
313 |
295 |
0.942 |
252 |
2076 |
|
|
26 |
A" |
216 |
173 |
0.799 |
252 |
2077 |
|
|
27 |
A" |
136 |
122 |
0.899 |
252 |
2078 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3292 |
3035 |
0.922 |
253 |
2079 |
|
|
2 |
A' |
3288 |
3031 |
0.922 |
253 |
2080 |
|
|
3 |
A' |
3198 |
2966 |
0.928 |
253 |
2081 |
|
|
4 |
A' |
3188 |
2964 |
0.930 |
253 |
2082 |
|
|
5 |
A' |
1970 |
1771 |
0.899 |
253 |
2083 |
|
|
6 |
A' |
1623 |
1460 |
0.900 |
253 |
2084 |
|
|
7 |
A' |
1611 |
1440 |
0.894 |
253 |
2085 |
|
|
8 |
A' |
1586 |
1430 |
0.902 |
253 |
2086 |
|
|
9 |
A' |
1535 |
1375 |
0.896 |
253 |
2087 |
|
|
10 |
A' |
1411 |
1248 |
0.884 |
253 |
2088 |
|
|
11 |
A' |
1327 |
1159 |
0.874 |
253 |
2089 |
|
|
12 |
A' |
1191 |
1060 |
0.890 |
253 |
2090 |
|
|
13 |
A' |
1071 |
980 |
0.915 |
253 |
2091 |
|
|
14 |
A' |
941 |
844 |
0.897 |
253 |
2092 |
|
|
15 |
A' |
694 |
639 |
0.921 |
253 |
2093 |
|
|
16 |
A' |
454 |
429 |
0.944 |
253 |
2094 |
|
|
17 |
A' |
302 |
303 |
1.003 |
253 |
2095 |
|
|
18 |
A" |
3269 |
3005 |
0.919 |
253 |
2096 |
|
|
19 |
A" |
3247 |
2994 |
0.922 |
253 |
2097 |
|
|
20 |
A" |
1612 |
1460 |
0.906 |
253 |
2098 |
|
|
21 |
A" |
1597 |
1430 |
0.895 |
253 |
2099 |
|
|
22 |
A" |
1288 |
1187 |
0.922 |
253 |
2100 |
|
|
23 |
A" |
1174 |
1036 |
0.882 |
253 |
2101 |
|
|
24 |
A" |
671 |
607 |
0.904 |
253 |
2102 |
|
|
25 |
A" |
188 |
187 |
0.995 |
253 |
2103 |
|
|
26 |
A" |
159 |
136 |
0.856 |
253 |
2104 |
|
|
27 |
A" |
86 |
110 |
1.285 |
253 |
2105 |
C2H6O2S |
Dimethyl sulfone |
1 |
A1 |
3291 |
3018 |
0.917 |
254 |
2106 |
|
|
2 |
A1 |
3196 |
2936 |
0.919 |
254 |
2107 |
|
|
3 |
A1 |
1579 |
1451 |
0.919 |
254 |
2108 |
|
|
4 |
A1 |
1495 |
1337 |
0.894 |
254 |
2109 |
|
|
5 |
A1 |
1265 |
1121 |
0.886 |
254 |
2110 |
|
|
6 |
A1 |
1106 |
1013 |
0.916 |
254 |
2111 |
|
|
7 |
A1 |
752 |
703 |
0.935 |
254 |
2112 |
|
|
8 |
A1 |
542 |
496 |
0.915 |
254 |
2113 |
|
|
9 |
A1 |
291 |
294 |
1.012 |
254 |
2114 |
|
|
10 |
A2 |
3292 |
3024 |
0.919 |
254 |
2115 |
|
|
11 |
A2 |
1568 |
1405 |
0.896 |
254 |
2116 |
|
|
12 |
A2 |
1029 |
937 |
0.910 |
254 |
2117 |
|
|
13 |
A2 |
326 |
326 |
0.999 |
254 |
2118 |
|
|
14 |
A2 |
206 |
|
|
254 |
2119 |
|
|
15 |
B1 |
3298 |
3025 |
0.917 |
254 |
2120 |
|
|
16 |
B1 |
1585 |
1428 |
0.901 |
254 |
2121 |
|
|
17 |
B1 |
1453 |
1269 |
0.874 |
254 |
2122 |
|
|
18 |
B1 |
1091 |
986 |
0.904 |
254 |
2123 |
|
|
19 |
B1 |
389 |
396 |
1.017 |
254 |
2124 |
|
|
20 |
B1 |
238 |
262 |
1.103 |
254 |
2125 |
|
|
21 |
B2 |
3289 |
3017 |
0.917 |
254 |
2126 |
|
|
22 |
B2 |
3192 |
2936 |
0.920 |
254 |
2127 |
|
|
23 |
B2 |
1570 |
1438 |
0.916 |
254 |
2128 |
|
|
24 |
B2 |
1478 |
1322 |
0.894 |
254 |
2129 |
|
|
25 |
B2 |
1039 |
958 |
0.922 |
254 |
2130 |
|
|
26 |
B2 |
820 |
771 |
0.940 |
254 |
2131 |
|
|
27 |
B2 |
502 |
465 |
0.927 |
254 |
2132 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3262 |
3005 |
0.921 |
255 |
2133 |
|
|
2 |
A' |
3239 |
2955 |
0.912 |
255 |
2134 |
|
|
3 |
A' |
3222 |
2927 |
0.908 |
255 |
2135 |
|
|
4 |
A' |
3166 |
2878 |
0.909 |
255 |
2136 |
|
|
5 |
A' |
1623 |
1472 |
0.907 |
255 |
2137 |
|
|
6 |
A' |
1609 |
1454 |
0.903 |
255 |
2138 |
|
|
7 |
A' |
1548 |
1390 |
0.898 |
255 |
2139 |
|
|
8 |
A' |
1402 |
1270 |
0.906 |
255 |
2140 |
|
|
9 |
A' |
1286 |
1163 |
0.904 |
255 |
2141 |
|
|
10 |
A' |
1174 |
1065 |
0.908 |
255 |
2142 |
|
|
11 |
A' |
947 |
888 |
0.938 |
255 |
2143 |
|
|
12 |
A' |
659 |
633 |
0.960 |
255 |
2144 |
|
|
13 |
A' |
450 |
418 |
0.929 |
255 |
2145 |
|
|
14 |
A' |
360 |
336 |
0.935 |
255 |
2146 |
|
|
15 |
A' |
288 |
253 |
0.879 |
255 |
2147 |
|
|
16 |
A" |
3247 |
2997 |
0.923 |
255 |
2148 |
|
|
17 |
A" |
3221 |
2985 |
0.927 |
255 |
2149 |
|
|
18 |
A" |
3159 |
2947 |
0.933 |
255 |
2150 |
|
|
19 |
A" |
1604 |
1472 |
0.918 |
255 |
2151 |
|
|
20 |
A" |
1599 |
1454 |
0.910 |
255 |
2152 |
|
|
21 |
A" |
1536 |
1377 |
0.897 |
255 |
2153 |
|
|
22 |
A" |
1479 |
1334 |
0.902 |
255 |
2154 |
|
|
23 |
A" |
1226 |
1123 |
0.916 |
255 |
2155 |
|
|
24 |
A" |
1027 |
972 |
0.947 |
255 |
2156 |
|
|
25 |
A" |
1017 |
936 |
0.920 |
255 |
2157 |
|
|
26 |
A" |
345 |
317 |
0.919 |
255 |
2158 |
|
|
27 |
A" |
256 |
276 |
1.079 |
255 |
2159 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3321 |
3022 |
0.910 |
256 |
2160 |
|
|
2 |
A |
3272 |
3004 |
0.918 |
256 |
2161 |
|
|
3 |
A |
3255 |
2991 |
0.919 |
256 |
2162 |
|
|
4 |
A |
3253 |
2970 |
0.913 |
256 |
2163 |
|
|
5 |
A |
3242 |
2949 |
0.910 |
256 |
2164 |
|
|
6 |
A |
3179 |
2908 |
0.915 |
256 |
2165 |
|
|
7 |
A |
1621 |
1462 |
0.902 |
256 |
2166 |
|
|
8 |
A |
1611 |
1459 |
0.905 |
256 |
2167 |
|
|
9 |
A |
1604 |
1446 |
0.901 |
256 |
2168 |
|
|
10 |
A |
1547 |
1391 |
0.899 |
256 |
2169 |
|
|
11 |
A |
1501 |
1347 |
0.897 |
256 |
2170 |
|
|
12 |
A |
1435 |
1286 |
0.896 |
256 |
2171 |
|
|
13 |
A |
1373 |
1238 |
0.902 |
256 |
2172 |
|
|
14 |
A |
1322 |
1181 |
0.894 |
256 |
2173 |
|
|
15 |
A |
1226 |
1120 |
0.914 |
256 |
2174 |
|
|
16 |
A |
1178 |
1076 |
0.913 |
256 |
2175 |
|
|
17 |
A |
1116 |
1023 |
0.917 |
256 |
2176 |
|
|
18 |
A |
987 |
890 |
0.902 |
256 |
2177 |
|
|
19 |
A |
930 |
850 |
0.914 |
256 |
2178 |
|
|
20 |
A |
798 |
750 |
0.940 |
256 |
2179 |
|
|
21 |
A |
719 |
685 |
0.953 |
256 |
2180 |
|
|
22 |
A |
438 |
417 |
0.952 |
256 |
2181 |
|
|
23 |
A |
377 |
358 |
0.951 |
256 |
2182 |
|
|
24 |
A |
301 |
285 |
0.946 |
256 |
2183 |
|
|
25 |
A |
266 |
250 |
0.940 |
256 |
2184 |
|
|
26 |
A |
222 |
203 |
0.914 |
256 |
2185 |
|
|
27 |
A |
116 |
108 |
0.935 |
256 |
2186 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3277 |
2989 |
0.912 |
257 |
2187 |
|
|
2 |
A1 |
3238 |
2941 |
0.908 |
257 |
2188 |
|
|
3 |
A1 |
3152 |
2911 |
0.924 |
257 |
2189 |
|
|
4 |
A1 |
1848 |
1661 |
0.899 |
257 |
2190 |
|
|
5 |
A1 |
1619 |
1470 |
0.908 |
257 |
2191 |
|
|
6 |
A1 |
1564 |
1416 |
0.905 |
257 |
2192 |
|
|
7 |
A1 |
1532 |
1366 |
0.892 |
257 |
2193 |
|
|
8 |
A1 |
1175 |
1064 |
0.906 |
257 |
2194 |
|
|
9 |
A1 |
856 |
801 |
0.935 |
257 |
2195 |
|
|
10 |
A1 |
404 |
383 |
0.949 |
257 |
2196 |
|
|
11 |
A2 |
3186 |
2970 |
0.932 |
257 |
2197 |
|
|
12 |
A2 |
1590 |
1459 |
0.918 |
257 |
2198 |
|
|
13 |
A2 |
1107 |
1076 |
0.972 |
257 |
2199 |
|
|
14 |
A2 |
765 |
|
|
257 |
2200 |
|
|
15 |
A2 |
182 |
193 |
1.060 |
257 |
2201 |
|
|
16 |
B1 |
3191 |
2945 |
0.923 |
257 |
2202 |
|
|
17 |
B1 |
1607 |
1444 |
0.898 |
257 |
2203 |
|
|
18 |
B1 |
1208 |
1079 |
0.893 |
257 |
2204 |
|
|
19 |
B1 |
1040 |
890 |
0.856 |
257 |
2205 |
|
|
20 |
B1 |
480 |
429 |
0.893 |
257 |
2206 |
|
|
21 |
B1 |
229 |
196 |
0.855 |
257 |
2207 |
|
|
22 |
B2 |
3351 |
3086 |
0.921 |
257 |
2208 |
|
|
23 |
B2 |
3236 |
2980 |
0.921 |
257 |
2209 |
|
|
24 |
B2 |
3145 |
2893 |
0.920 |
257 |
2210 |
|
|
25 |
B2 |
1600 |
1458 |
0.911 |
257 |
2211 |
|
|
26 |
B2 |
1538 |
1381 |
0.898 |
257 |
2212 |
|
|
27 |
B2 |
1398 |
1282 |
0.917 |
257 |
2213 |
|
|
28 |
B2 |
1061 |
1043 |
0.983 |
257 |
2214 |
|
|
29 |
B2 |
1033 |
974 |
0.943 |
257 |
2215 |
|
|
30 |
B2 |
470 |
430 |
0.915 |
257 |
2216 |
C6H6 |
Benzene |
1 |
A1g |
3349 |
3062 |
0.914 |
258 |
2217 |
|
|
2 |
A1g |
1071 |
992 |
0.926 |
258 |
2218 |
|
|
3 |
A2g |
1497 |
1326 |
0.886 |
258 |
2219 |
|
|
4 |
A2u |
759 |
673 |
0.887 |
258 |
2220 |
|
|
5 |
B1u |
3308 |
3068 |
0.927 |
258 |
2221 |
|
|
6 |
B1u |
1096 |
1010 |
0.922 |
258 |
2222 |
|
|
7 |
B2g |
1125 |
995 |
0.884 |
258 |
2223 |
|
|
8 |
B2g |
768 |
703 |
0.915 |
258 |
2224 |
|
|
9 |
B2u |
1336 |
1310 |
0.980 |
258 |
2225 |
|
|
10 |
B2u |
1171 |
1150 |
0.982 |
258 |
2226 |
|
|
11 |
E1g |
957 |
849 |
0.888 |
258 |
2227 |
|
|
12 |
E1u |
3338 |
3063 |
0.918 |
258 |
2228 |
|
|
13 |
E1u |
1632 |
1486 |
0.910 |
258 |
2229 |
|
|
14 |
E1u |
1128 |
1038 |
0.920 |
258 |
2230 |
|
|
15 |
E2g |
3319 |
3047 |
0.918 |
258 |
2231 |
|
|
16 |
E2g |
1771 |
1596 |
0.901 |
258 |
2232 |
|
|
17 |
E2g |
1280 |
1178 |
0.920 |
258 |
2233 |
|
|
18 |
E2g |
662 |
606 |
0.915 |
258 |
2234 |
|
|
19 |
E2u |
1103 |
975 |
0.884 |
258 |
2235 |
|
|
20 |
E2u |
448 |
410 |
0.914 |
258 |
2236 |
C4H8 |
cyclobutane |
1 |
A1 |
3210 |
2951 |
0.919 |
259 |
2237 |
|
|
2 |
A1 |
3184 |
2862 |
0.899 |
259 |
2238 |
|
|
3 |
A1 |
1647 |
1468 |
0.891 |
259 |
2239 |
|
|
4 |
A1 |
1281 |
1153 |
0.900 |
259 |
2240 |
|
|
5 |
A1 |
1072 |
1004 |
0.936 |
259 |
2241 |
|
|
6 |
A1 |
208 |
199 |
0.955 |
259 |
2242 |
|
|
7 |
A2 |
1375 |
1260 |
0.917 |
259 |
2243 |
|
|
8 |
A2 |
1031 |
941 |
0.913 |
259 |
2244 |
|
|
9 |
B1 |
1373 |
1231 |
0.897 |
259 |
2245 |
|
|
10 |
B1 |
1274 |
1142 |
0.897 |
259 |
2246 |
|
|
11 |
B1 |
1001 |
928 |
0.927 |
259 |
2247 |
|
|
12 |
B2 |
3242 |
2973 |
0.917 |
259 |
2248 |
|
|
13 |
B2 |
3173 |
2934 |
0.925 |
259 |
2249 |
|
|
14 |
B2 |
1606 |
1440 |
0.896 |
259 |
2250 |
|
|
15 |
B2 |
959 |
883 |
0.921 |
259 |
2251 |
|
|
16 |
B2 |
679 |
625 |
0.921 |
259 |
2252 |
|
|
17 |
E |
3220 |
2959 |
0.919 |
259 |
2253 |
|
|
18 |
E |
3177 |
2862 |
0.901 |
259 |
2254 |
|
|
19 |
E |
1604 |
1441 |
0.898 |
259 |
2255 |
|
|
20 |
E |
1415 |
1252 |
0.885 |
259 |
2256 |
|
|
21 |
E |
1351 |
1217 |
0.901 |
259 |
2257 |
|
|
22 |
E |
974 |
893 |
0.916 |
259 |
2258 |
|
|
23 |
E |
805 |
746 |
0.926 |
259 |
2259 |
C6H6 |
Fulvene |
1 |
A1 |
3382 |
3088 |
0.913 |
260 |
2260 |
|
|
2 |
A1 |
3357 |
3051 |
0.909 |
260 |
2261 |
|
|
3 |
A1 |
3289 |
3008 |
0.915 |
260 |
2262 |
|
|
4 |
A1 |
1846 |
1632 |
0.884 |
260 |
2263 |
|
|
5 |
A1 |
1676 |
1486 |
0.887 |
260 |
2264 |
|
|
6 |
A1 |
1572 |
1449 |
0.922 |
260 |
2265 |
|
|
7 |
A1 |
1485 |
1342 |
0.904 |
260 |
2266 |
|
|
8 |
A1 |
1193 |
1082 |
0.907 |
260 |
2267 |
|
|
9 |
A1 |
1043 |
986 |
0.945 |
260 |
2268 |
|
|
10 |
A1 |
960 |
894 |
0.931 |
260 |
2269 |
|
|
11 |
A1 |
719 |
641 |
0.892 |
260 |
2270 |
|
|
12 |
A2 |
1069 |
|
|
260 |
2271 |
|
|
13 |
A2 |
870 |
|
|
260 |
2272 |
|
|
14 |
A2 |
767 |
666 |
0.868 |
260 |
2273 |
|
|
15 |
A2 |
540 |
494 |
0.916 |
260 |
2274 |
|
|
16 |
B1 |
1092 |
926 |
0.848 |
260 |
2275 |
|
|
17 |
B1 |
1064 |
907 |
0.853 |
260 |
2276 |
|
|
18 |
B1 |
883 |
769 |
0.871 |
260 |
2277 |
|
|
19 |
B1 |
679 |
613 |
0.903 |
260 |
2278 |
|
|
20 |
B1 |
228 |
|
|
260 |
2279 |
|
|
21 |
B2 |
3375 |
|
|
260 |
2280 |
|
|
22 |
B2 |
3370 |
3104 |
0.921 |
260 |
2281 |
|
|
23 |
B2 |
3347 |
3075 |
0.919 |
260 |
2282 |
|
|
24 |
B2 |
1764 |
1550 |
0.879 |
260 |
2283 |
|
|
25 |
B2 |
1461 |
1314 |
0.899 |
260 |
2284 |
|
|
26 |
B2 |
1363 |
1232 |
0.904 |
260 |
2285 |
|
|
27 |
B2 |
1197 |
1077 |
0.900 |
260 |
2286 |
|
|
28 |
B2 |
1034 |
952 |
0.921 |
260 |
2287 |
|
|
29 |
B2 |
860 |
795 |
0.924 |
260 |
2288 |
|
|
30 |
B2 |
368 |
350 |
0.951 |
260 |
2289 |
CH3CH2CH2CN |
Butanenitrile |
1 |
A' |
3226 |
2977 |
0.923 |
261 |
2290 |
|
|
2 |
A' |
3193 |
2895 |
0.907 |
261 |
2291 |
|
|
3 |
A' |
3177 |
2888 |
0.909 |
261 |
2292 |
|
|
4 |
A' |
3156 |
2883 |
0.913 |
261 |
2293 |
|
|
5 |
A' |
2582 |
2263 |
0.877 |
261 |
2294 |
|
|
6 |
A' |
1628 |
1472 |
0.904 |
261 |
2295 |
|
|
7 |
A' |
1610 |
1457 |
0.905 |
261 |
2296 |
|
|
8 |
A' |
1597 |
1438 |
0.901 |
261 |
2297 |
|
|
9 |
A' |
1544 |
1393 |
0.902 |
261 |
2298 |
|
|
10 |
A' |
1519 |
1346 |
0.886 |
261 |
2299 |
|
|
11 |
A' |
1420 |
1334 |
0.939 |
261 |
2300 |
|
|
12 |
A' |
1204 |
1100 |
0.914 |
261 |
2301 |
|
|
13 |
A' |
1106 |
1053 |
0.952 |
261 |
2302 |
|
|
14 |
A' |
998 |
920 |
0.922 |
261 |
2303 |
|
|
15 |
A' |
937 |
842 |
0.898 |
261 |
2304 |
|
|
16 |
A' |
581 |
551 |
0.948 |
261 |
2305 |
|
|
17 |
A' |
373 |
358 |
0.960 |
261 |
2306 |
|
|
18 |
A' |
183 |
|
|
261 |
2307 |
|
|
19 |
A" |
3239 |
2986 |
0.922 |
261 |
2308 |
|
|
20 |
A" |
3217 |
2964 |
0.921 |
261 |
2309 |
|
|
21 |
A" |
3195 |
2950 |
0.923 |
261 |
2310 |
|
|
22 |
A" |
1615 |
1469 |
0.909 |
261 |
2311 |
|
|
23 |
A" |
1437 |
1267 |
0.882 |
261 |
2312 |
|
|
24 |
A" |
1368 |
1234 |
0.902 |
261 |
2313 |
|
|
25 |
A" |
1232 |
1083 |
0.879 |
261 |
2314 |
|
|
26 |
A" |
943 |
871 |
0.923 |
261 |
2315 |
|
|
27 |
A" |
797 |
764 |
0.958 |
261 |
2316 |
|
|
28 |
A" |
433 |
370 |
0.854 |
261 |
2317 |
|
|
29 |
A" |
258 |
|
|
261 |
2318 |
|
|
30 |
A" |
106 |
|
|
261 |
2319 |
C3H6O3 |
1,3,5-Trioxane |
1 |
A1 |
3298 |
3020 |
0.916 |
262 |
2320 |
|
|
2 |
A1 |
3124 |
2855 |
0.914 |
262 |
2321 |
|
|
3 |
A1 |
1674 |
1477 |
0.882 |
262 |
2322 |
|
|
4 |
A1 |
1366 |
1168 |
0.855 |
262 |
2323 |
|
|
5 |
A1 |
1080 |
970 |
0.898 |
262 |
2324 |
|
|
6 |
A1 |
845 |
749 |
0.887 |
262 |
2325 |
|
|
7 |
A1 |
467 |
476 |
1.019 |
262 |
2326 |
|
|
8 |
A2 |
1531 |
|
|
262 |
2327 |
|
|
9 |
A2 |
1369 |
1255 |
0.916 |
262 |
2328 |
|
|
10 |
A2 |
1148 |
|
|
262 |
2329 |
|
|
11 |
E |
3293 |
3020 |
0.917 |
262 |
2330 |
|
|
12 |
E |
3104 |
2855 |
0.920 |
262 |
2331 |
|
|
13 |
E |
1653 |
1477 |
0.894 |
262 |
2332 |
|
|
14 |
E |
1585 |
1412 |
0.891 |
262 |
2333 |
|
|
15 |
E |
1451 |
1309 |
0.902 |
262 |
2334 |
|
|
16 |
E |
1340 |
1168 |
0.872 |
262 |
2335 |
|
|
17 |
E |
1191 |
1068 |
0.897 |
262 |
2336 |
|
|
18 |
E |
1059 |
935 |
0.883 |
262 |
2337 |
|
|
19 |
E |
581 |
524 |
0.902 |
262 |
2338 |
|
|
20 |
E |
295 |
307 |
1.041 |
262 |
2339 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
1 |
A' |
3261 |
2991 |
0.917 |
263 |
2340 |
|
|
2 |
A' |
3222 |
2957 |
0.918 |
263 |
2341 |
|
|
3 |
A' |
3176 |
2920 |
0.919 |
263 |
2342 |
|
|
4 |
A' |
3172 |
2871 |
0.905 |
263 |
2343 |
|
|
5 |
A' |
3163 |
2830 |
0.895 |
263 |
2344 |
|
|
6 |
A' |
1619 |
1461 |
0.902 |
263 |
2345 |
|
|
7 |
A' |
1610 |
1435 |
0.891 |
263 |
2346 |
|
|
8 |
A' |
1602 |
1427 |
0.891 |
263 |
2347 |
|
|
9 |
A' |
1536 |
1377 |
0.896 |
263 |
2348 |
|
|
10 |
A' |
1481 |
1321 |
0.892 |
263 |
2349 |
|
|
11 |
A' |
1421 |
1262 |
0.888 |
263 |
2350 |
|
|
12 |
A' |
1176 |
1060 |
0.901 |
263 |
2351 |
|
|
13 |
A' |
1055 |
|
|
263 |
2352 |
|
|
14 |
A' |
1049 |
968 |
0.923 |
263 |
2353 |
|
|
15 |
A' |
788 |
727 |
0.923 |
263 |
2354 |
|
|
16 |
A' |
732 |
654 |
0.894 |
263 |
2355 |
|
|
17 |
A' |
370 |
353 |
0.953 |
263 |
2356 |
|
|
18 |
A' |
212 |
227 |
1.073 |
263 |
2357 |
|
|
19 |
A" |
3245 |
2991 |
0.922 |
263 |
2358 |
|
|
20 |
A" |
3236 |
2957 |
0.914 |
263 |
2359 |
|
|
21 |
A" |
3209 |
2920 |
0.910 |
263 |
2360 |
|
|
22 |
A" |
1610 |
1449 |
0.900 |
263 |
2361 |
|
|
23 |
A" |
1588 |
1435 |
0.903 |
263 |
2362 |
|
|
24 |
A" |
1373 |
1239 |
0.902 |
263 |
2363 |
|
|
25 |
A" |
1135 |
|
|
263 |
2364 |
|
|
26 |
A" |
1051 |
954 |
0.907 |
263 |
2365 |
|
|
27 |
A" |
847 |
757 |
0.893 |
263 |
2366 |
|
|
28 |
A" |
256 |
|
|
263 |
2367 |
|
|
29 |
A" |
186 |
|
|
263 |
2368 |
|
|
30 |
A" |
86 |
|
|
263 |
2369 |
C5H6S |
Thiophene, 3-methyl- |
1 |
A' |
3393 |
3111 |
0.917 |
264 |
2370 |
|
|
2 |
A' |
3382 |
3104 |
0.918 |
264 |
2371 |
|
|
3 |
A' |
3340 |
3062 |
0.917 |
264 |
2372 |
|
|
4 |
A' |
3237 |
2971 |
0.918 |
264 |
2373 |
|
|
5 |
A' |
3159 |
2923 |
0.925 |
264 |
2374 |
|
|
6 |
A' |
1748 |
1543 |
0.883 |
264 |
2375 |
|
|
7 |
A' |
1612 |
1447 |
0.897 |
264 |
2376 |
|
|
8 |
A' |
1578 |
1407 |
0.891 |
264 |
2377 |
|
|
9 |
A' |
1541 |
1385 |
0.899 |
264 |
2378 |
|
|
10 |
A' |
1512 |
1373 |
0.908 |
264 |
2379 |
|
|
11 |
A' |
1366 |
1234 |
0.903 |
264 |
2380 |
|
|
12 |
A' |
1266 |
1154 |
0.911 |
264 |
2381 |
|
|
13 |
A' |
1195 |
1080 |
0.904 |
264 |
2382 |
|
|
14 |
A' |
1091 |
993 |
0.910 |
264 |
2383 |
|
|
15 |
A' |
1001 |
931 |
0.930 |
264 |
2384 |
|
|
16 |
A' |
915 |
857 |
0.937 |
264 |
2385 |
|
|
17 |
A' |
883 |
830 |
0.940 |
264 |
2386 |
|
|
18 |
A' |
705 |
659 |
0.935 |
264 |
2387 |
|
|
19 |
A' |
576 |
542 |
0.941 |
264 |
2388 |
|
|
20 |
A' |
341 |
329 |
0.965 |
264 |
2389 |
|
|
21 |
A" |
3205 |
2945 |
0.919 |
264 |
2390 |
|
|
22 |
A" |
1600 |
1452 |
0.907 |
264 |
2391 |
|
|
23 |
A" |
1161 |
1036 |
0.892 |
264 |
2392 |
|
|
24 |
A" |
1037 |
874 |
0.843 |
264 |
2393 |
|
|
25 |
A" |
887 |
762 |
0.859 |
264 |
2394 |
|
|
26 |
A" |
802 |
685 |
0.855 |
264 |
2395 |
|
|
27 |
A" |
657 |
594 |
0.903 |
264 |
2396 |
|
|
28 |
A" |
492 |
464 |
0.943 |
264 |
2397 |
|
|
29 |
A" |
252 |
238 |
0.946 |
264 |
2398 |
|
|
30 |
A" |
141 |
|
|
264 |
2399 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3364 |
3088 |
0.918 |
265 |
2400 |
|
|
2 |
A |
3303 |
3017 |
0.913 |
265 |
2401 |
|
|
3 |
A |
3281 |
3011 |
0.918 |
265 |
2402 |
|
|
4 |
A |
3267 |
2990 |
0.915 |
265 |
2403 |
|
|
5 |
A |
3247 |
2974 |
0.916 |
265 |
2404 |
|
|
6 |
A |
3230 |
2967 |
0.919 |
265 |
2405 |
|
|
7 |
A |
3168 |
2927 |
0.924 |
265 |
2406 |
|
|
8 |
A |
1842 |
1645 |
0.893 |
265 |
2407 |
|
|
9 |
A |
1612 |
1452 |
0.901 |
265 |
2408 |
|
|
10 |
A |
1606 |
1447 |
0.901 |
265 |
2409 |
|
|
11 |
A |
1579 |
1424 |
0.902 |
265 |
2410 |
|
|
12 |
A |
1539 |
1375 |
0.893 |
265 |
2411 |
|
|
13 |
A |
1447 |
1297 |
0.896 |
265 |
2412 |
|
|
14 |
A |
1425 |
1283 |
0.901 |
265 |
2413 |
|
|
15 |
A |
1372 |
1233 |
0.899 |
265 |
2414 |
|
|
16 |
A |
1288 |
1174 |
0.912 |
265 |
2415 |
|
|
17 |
A |
1191 |
1090 |
0.915 |
265 |
2416 |
|
|
18 |
A |
1139 |
1025 |
0.900 |
265 |
2417 |
|
|
19 |
A |
1119 |
988 |
0.883 |
265 |
2418 |
|
|
20 |
A |
1082 |
966 |
0.893 |
265 |
2419 |
|
|
21 |
A |
1054 |
931 |
0.883 |
265 |
2420 |
|
|
22 |
A |
932 |
864 |
0.927 |
265 |
2421 |
|
|
23 |
A |
782 |
708 |
0.906 |
265 |
2422 |
|
|
24 |
A |
685 |
625 |
0.913 |
265 |
2423 |
|
|
25 |
A |
486 |
456 |
0.937 |
265 |
2424 |
|
|
26 |
A |
346 |
319 |
0.923 |
265 |
2425 |
|
|
27 |
A |
328 |
305 |
0.930 |
265 |
2426 |
|
|
28 |
A |
306 |
283 |
0.925 |
265 |
2427 |
|
|
29 |
A |
270 |
245 |
0.907 |
265 |
2428 |
|
|
30 |
A |
109 |
92 |
0.842 |
265 |
2429 |
C6H5Cl |
chlorobenzene |
1 |
A1 |
3360 |
3084 |
0.918 |
266 |
2430 |
|
|
2 |
A1 |
3345 |
3054 |
0.913 |
266 |
2431 |
|
|
3 |
A1 |
3319 |
3031 |
0.913 |
266 |
2432 |
|
|
4 |
A1 |
1765 |
1586 |
0.899 |
266 |
2433 |
|
|
5 |
A1 |
1637 |
1483 |
0.906 |
266 |
2434 |
|
|
6 |
A1 |
1283 |
1174 |
0.915 |
266 |
2435 |
|
|
7 |
A1 |
1189 |
1092 |
0.918 |
266 |
2436 |
|
|
8 |
A1 |
1113 |
1025 |
0.921 |
266 |
2437 |
|
|
9 |
A1 |
1085 |
1003 |
0.925 |
266 |
2438 |
|
|
10 |
A1 |
760 |
706 |
0.929 |
266 |
2439 |
|
|
11 |
A1 |
446 |
417 |
0.934 |
266 |
2440 |
|
|
12 |
A2 |
1101 |
961 |
0.873 |
266 |
2441 |
|
|
13 |
A2 |
943 |
832 |
0.883 |
266 |
2442 |
|
|
14 |
A2 |
452 |
403 |
0.891 |
266 |
2443 |
|
|
15 |
B1 |
1120 |
981 |
0.876 |
266 |
2444 |
|
|
16 |
B1 |
1033 |
902 |
0.873 |
266 |
2445 |
|
|
17 |
B1 |
837 |
741 |
0.885 |
266 |
2446 |
|
|
18 |
B1 |
753 |
685 |
0.909 |
266 |
2447 |
|
|
19 |
B1 |
523 |
467 |
0.894 |
266 |
2448 |
|
|
20 |
B1 |
207 |
198 |
0.956 |
266 |
2449 |
|
|
21 |
B2 |
3357 |
3098 |
0.923 |
266 |
2450 |
|
|
22 |
B2 |
3331 |
3067 |
0.921 |
266 |
2451 |
|
|
23 |
B2 |
1762 |
1598 |
0.907 |
266 |
2452 |
|
|
24 |
B2 |
1594 |
1448 |
0.908 |
266 |
2453 |
|
|
25 |
B2 |
1451 |
1326 |
0.914 |
266 |
2454 |
|
|
26 |
B2 |
1315 |
1271 |
0.966 |
266 |
2455 |
|
|
27 |
B2 |
1188 |
1157 |
0.974 |
266 |
2456 |
|
|
28 |
B2 |
1160 |
1068 |
0.921 |
266 |
2457 |
|
|
29 |
B2 |
672 |
615 |
0.915 |
266 |
2458 |
|
|
30 |
B2 |
317 |
295 |
0.929 |
266 |
2459 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3372 |
3095 |
0.918 |
267 |
2460 |
|
|
2 |
A' |
3362 |
3095 |
0.921 |
267 |
2461 |
|
|
3 |
A' |
3303 |
3000 |
0.908 |
267 |
2462 |
|
|
4 |
A' |
3289 |
3000 |
0.912 |
267 |
2463 |
|
|
5 |
A' |
3283 |
3000 |
0.914 |
267 |
2464 |
|
|
6 |
A' |
3243 |
2984 |
0.920 |
267 |
2465 |
|
|
7 |
A' |
3161 |
2904 |
0.919 |
267 |
2466 |
|
|
8 |
A' |
1852 |
1638 |
0.885 |
267 |
2467 |
|
|
9 |
A' |
1791 |
1607 |
0.897 |
267 |
2468 |
|
|
10 |
A' |
1621 |
1464 |
0.903 |
267 |
2469 |
|
|
11 |
A' |
1580 |
1420 |
0.898 |
267 |
2470 |
|
|
12 |
A' |
1551 |
1389 |
0.895 |
267 |
2471 |
|
|
13 |
A' |
1530 |
1363 |
0.891 |
267 |
2472 |
|
|
14 |
A' |
1432 |
1313 |
0.917 |
267 |
2473 |
|
|
15 |
A' |
1429 |
1303 |
0.912 |
267 |
2474 |
|
|
16 |
A' |
1178 |
1072 |
0.910 |
267 |
2475 |
|
|
17 |
A' |
1094 |
1012 |
0.925 |
267 |
2476 |
|
|
18 |
A' |
1031 |
953 |
0.925 |
267 |
2477 |
|
|
19 |
A' |
829 |
770 |
0.929 |
267 |
2478 |
|
|
20 |
A' |
569 |
530 |
0.932 |
267 |
2479 |
|
|
21 |
A' |
458 |
396 |
0.865 |
267 |
2480 |
|
|
22 |
A' |
299 |
196 |
0.656 |
267 |
2481 |
|
|
23 |
A" |
3208 |
2949 |
0.919 |
267 |
2482 |
|
|
24 |
A" |
1601 |
1451 |
0.906 |
267 |
2483 |
|
|
25 |
A" |
1166 |
1034 |
0.887 |
267 |
2484 |
|
|
26 |
A" |
1132 |
991 |
0.876 |
267 |
2485 |
|
|
27 |
A" |
1066 |
907 |
0.851 |
267 |
2486 |
|
|
28 |
A" |
1051 |
907 |
0.863 |
267 |
2487 |
|
|
29 |
A" |
858 |
757 |
0.882 |
267 |
2488 |
|
|
30 |
A" |
707 |
615 |
0.870 |
267 |
2489 |
|
|
31 |
A" |
443 |
290 |
0.654 |
267 |
2490 |
|
|
32 |
A" |
232 |
153 |
0.660 |
267 |
2491 |
C5H8 |
Cyclopentene |
1 |
A' |
3341 |
3066 |
0.918 |
268 |
2492 |
|
|
2 |
A' |
3222 |
2958 |
0.918 |
268 |
2493 |
|
|
3 |
A' |
3194 |
2916 |
0.913 |
268 |
2494 |
|
|
4 |
A' |
3170 |
2902 |
0.916 |
268 |
2495 |
|
|
5 |
A' |
3142 |
2852 |
0.908 |
268 |
2496 |
|
|
6 |
A' |
1815 |
1616 |
0.890 |
268 |
2497 |
|
|
7 |
A' |
1634 |
1467 |
0.898 |
268 |
2498 |
|
|
8 |
A' |
1605 |
1449 |
0.903 |
268 |
2499 |
|
|
9 |
A' |
1459 |
1302 |
0.893 |
268 |
2500 |
|
|
10 |
A' |
1339 |
1284 |
0.959 |
268 |
2501 |
|
|
11 |
A' |
1219 |
1213 |
0.995 |
268 |
2502 |
|
|
12 |
A' |
1171 |
1048 |
0.895 |
268 |
2503 |
|
|
13 |
A' |
1029 |
964 |
0.937 |
268 |
2504 |
|
|
14 |
A' |
958 |
962 |
1.004 |
268 |
2505 |
|
|
15 |
A' |
884 |
904 |
1.022 |
268 |
2506 |
|
|
16 |
A' |
785 |
692 |
0.882 |
268 |
2507 |
|
|
17 |
A' |
661 |
603 |
0.912 |
268 |
2508 |
|
|
18 |
A' |
153 |
254 |
1.665 |
268 |
2509 |
|
|
19 |
A" |
3313 |
3039 |
0.917 |
268 |
2510 |
|
|
20 |
A" |
3184 |
2967 |
0.932 |
268 |
2511 |
|
|
21 |
A" |
3144 |
2927 |
0.931 |
268 |
2512 |
|
|
22 |
A" |
1614 |
1467 |
0.909 |
268 |
2513 |
|
|
23 |
A" |
1503 |
1432 |
0.953 |
268 |
2514 |
|
|
24 |
A" |
1439 |
1356 |
0.943 |
268 |
2515 |
|
|
25 |
A" |
1428 |
1302 |
0.912 |
268 |
2516 |
|
|
26 |
A" |
1339 |
1297 |
0.969 |
268 |
2517 |
|
|
27 |
A" |
1253 |
1207 |
0.963 |
268 |
2518 |
|
|
28 |
A" |
1108 |
1113 |
1.005 |
268 |
2519 |
|
|
29 |
A" |
1089 |
1082 |
0.994 |
268 |
2520 |
|
|
30 |
A" |
979 |
937 |
0.957 |
268 |
2521 |
|
|
31 |
A" |
953 |
800 |
0.840 |
268 |
2522 |
|
|
32 |
A" |
837 |
702 |
0.838 |
268 |
2523 |
|
|
33 |
A" |
424 |
387 |
0.913 |
268 |
2524 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3267 |
2987 |
0.914 |
269 |
2525 |
|
|
2 |
A1 |
3251 |
2941 |
0.905 |
269 |
2526 |
|
|
3 |
A1 |
3153 |
2916 |
0.925 |
269 |
2527 |
|
|
4 |
A1 |
2192 |
1996 |
0.910 |
269 |
2528 |
|
|
5 |
A1 |
1632 |
1470 |
0.901 |
269 |
2529 |
|
|
6 |
A1 |
1595 |
1438 |
0.902 |
269 |
2530 |
|
|
7 |
A1 |
1541 |
1369 |
0.889 |
269 |
2531 |
|
|
8 |
A1 |
1412 |
1286 |
0.911 |
269 |
2532 |
|
|
9 |
A1 |
1107 |
973 |
0.879 |
269 |
2533 |
|
|
10 |
A1 |
773 |
726 |
0.939 |
269 |
2534 |
|
|
11 |
A1 |
364 |
349 |
0.959 |
269 |
2535 |
|
|
12 |
A2 |
3191 |
2941 |
0.922 |
269 |
2536 |
|
|
13 |
A2 |
1593 |
1470 |
0.923 |
269 |
2537 |
|
|
14 |
A2 |
1088 |
985 |
0.905 |
269 |
2538 |
|
|
15 |
A2 |
664 |
617 |
0.929 |
269 |
2539 |
|
|
17 |
B1 |
3341 |
3051 |
0.913 |
269 |
2540 |
|
|
18 |
B1 |
3195 |
2941 |
0.920 |
269 |
2541 |
|
|
19 |
B1 |
1609 |
1470 |
0.913 |
269 |
2542 |
|
|
20 |
B1 |
1202 |
1068 |
0.888 |
269 |
2543 |
|
|
21 |
B1 |
1120 |
1004 |
0.896 |
269 |
2544 |
|
|
22 |
B1 |
516 |
443 |
0.858 |
269 |
2545 |
|
|
23 |
B1 |
289 |
187 |
0.647 |
269 |
2546 |
|
|
25 |
B2 |
3250 |
2941 |
0.905 |
269 |
2547 |
|
|
26 |
B2 |
3148 |
2916 |
0.926 |
269 |
2548 |
|
|
27 |
B2 |
1601 |
1470 |
0.918 |
269 |
2549 |
|
|
28 |
B2 |
1527 |
1369 |
0.897 |
269 |
2550 |
|
|
29 |
B2 |
1304 |
1191 |
0.913 |
269 |
2551 |
|
|
30 |
B2 |
1045 |
968 |
0.926 |
269 |
2552 |
|
|
31 |
B2 |
1001 |
848 |
0.847 |
269 |
2553 |
|
|
32 |
B2 |
659 |
554 |
0.841 |
269 |
2554 |
|
|
33 |
B2 |
206 |
187 |
0.909 |
269 |
2555 |
C5H8 |
1,3-Pentadiene, (Z)- |
1 |
A' |
3365 |
3060 |
0.909 |
270 |
2556 |
|
|
2 |
A' |
3323 |
3060 |
0.921 |
270 |
2557 |
|
|
3 |
A' |
3302 |
3015 |
0.913 |
270 |
2558 |
|
|
4 |
A' |
3281 |
2998 |
0.914 |
270 |
2559 |
|
|
5 |
A' |
3277 |
2998 |
0.915 |
270 |
2560 |
|
|
6 |
A' |
3252 |
2938 |
0.904 |
270 |
2561 |
|
|
7 |
A' |
3156 |
2919 |
0.925 |
270 |
2562 |
|
|
8 |
A' |
1870 |
1656 |
0.886 |
270 |
2563 |
|
|
9 |
A' |
1790 |
1602 |
0.895 |
270 |
2564 |
|
|
10 |
A' |
1609 |
1445 |
0.898 |
270 |
2565 |
|
|
11 |
A' |
1589 |
1435 |
0.903 |
270 |
2566 |
|
|
12 |
A' |
1542 |
1391 |
0.902 |
270 |
2567 |
|
|
13 |
A' |
1505 |
1357 |
0.902 |
270 |
2568 |
|
|
14 |
A' |
1430 |
1300 |
0.909 |
270 |
2569 |
|
|
15 |
A' |
1385 |
1254 |
0.905 |
270 |
2570 |
|
|
16 |
A' |
1276 |
1169 |
0.916 |
270 |
2571 |
|
|
17 |
A' |
1144 |
1025 |
0.896 |
270 |
2572 |
|
|
18 |
A' |
1019 |
964 |
0.946 |
270 |
2573 |
|
|
19 |
A' |
940 |
840 |
0.894 |
270 |
2574 |
|
|
20 |
A' |
654 |
627 |
0.959 |
270 |
2575 |
|
|
21 |
A' |
415 |
402 |
0.970 |
270 |
2576 |
|
|
22 |
A' |
236 |
144 |
0.610 |
270 |
2577 |
|
|
23 |
A" |
3193 |
2975 |
0.932 |
270 |
2578 |
|
|
24 |
A" |
1600 |
1471 |
0.919 |
270 |
2579 |
|
|
25 |
A" |
1171 |
1009 |
0.862 |
270 |
2580 |
|
|
26 |
A" |
1136 |
997 |
0.878 |
270 |
2581 |
|
|
27 |
A" |
1103 |
921 |
0.835 |
270 |
2582 |
|
|
28 |
A" |
1061 |
906 |
0.854 |
270 |
2583 |
|
|
29 |
A" |
880 |
773 |
0.879 |
270 |
2584 |
|
|
30 |
A" |
698 |
627 |
0.898 |
270 |
2585 |
|
|
31 |
A" |
399 |
456 |
1.143 |
270 |
2586 |
|
|
32 |
A" |
140 |
171 |
1.225 |
270 |
2587 |
C5H8 |
Spiropentane |
1 |
A1 |
3258 |
3000 |
0.921 |
271 |
2588 |
|
|
2 |
A1 |
1623 |
1423 |
0.877 |
271 |
2589 |
|
|
3 |
A1 |
1192 |
1160 |
0.973 |
271 |
2590 |
|
|
4 |
A1 |
1122 |
1037 |
0.924 |
271 |
2591 |
|
|
5 |
A1 |
640 |
588 |
0.919 |
271 |
2592 |
|
|
6 |
A2 |
3324 |
3070 |
0.924 |
271 |
2593 |
|
|
7 |
A2 |
1271 |
1174 |
0.924 |
271 |
2594 |
|
|
8 |
A2 |
907 |
919 |
1.013 |
271 |
2595 |
|
|
9 |
B1 |
3323 |
3066 |
0.923 |
271 |
2596 |
|
|
10 |
B1 |
1281 |
1166 |
0.910 |
271 |
2597 |
|
|
11 |
B1 |
1112 |
888 |
0.799 |
271 |
2598 |
|
|
12 |
B1 |
316 |
300 |
0.950 |
271 |
2599 |
|
|
13 |
B2 |
3257 |
3000 |
0.921 |
271 |
2600 |
|
|
14 |
B2 |
1707 |
1521 |
0.891 |
271 |
2601 |
|
|
15 |
B2 |
1539 |
1415 |
0.920 |
271 |
2602 |
|
|
16 |
B2 |
1130 |
990 |
0.876 |
271 |
2603 |
|
|
17 |
B2 |
969 |
872 |
0.900 |
271 |
2604 |
|
|
18 |
E |
3339 |
3067 |
0.919 |
271 |
2605 |
|
|
19 |
E |
3250 |
2985 |
0.918 |
271 |
2606 |
|
|
20 |
E |
1585 |
1431 |
0.903 |
271 |
2607 |
|
|
21 |
E |
1282 |
1150 |
0.897 |
271 |
2608 |
|
|
22 |
E |
1200 |
1049 |
0.874 |
271 |
2609 |
|
|
23 |
E |
955 |
870 |
0.911 |
271 |
2610 |
|
|
24 |
E |
842 |
780 |
0.927 |
271 |
2611 |
|
|
25 |
E |
334 |
308 |
0.923 |
271 |
2612 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3196 |
2953 |
0.924 |
272 |
2613 |
|
|
2 |
A1 |
3074 |
2775 |
0.903 |
272 |
2614 |
|
|
3 |
A1 |
1625 |
1459 |
0.898 |
272 |
2615 |
|
|
4 |
A1 |
1613 |
1444 |
0.895 |
272 |
2616 |
|
|
5 |
A1 |
1320 |
1186 |
0.899 |
272 |
2617 |
|
|
6 |
A1 |
893 |
828 |
0.927 |
272 |
2618 |
|
|
7 |
A1 |
385 |
367 |
0.953 |
272 |
2619 |
|
|
8 |
A2 |
3223 |
2977 |
0.924 |
272 |
2620 |
|
|
9 |
A2 |
1610 |
1453 |
0.902 |
272 |
2621 |
|
|
10 |
A2 |
1159 |
1046 |
0.903 |
272 |
2622 |
|
|
11 |
A2 |
246 |
255 |
1.034 |
272 |
2623 |
|
|
12 |
E |
3231 |
2981 |
0.923 |
272 |
2624 |
|
|
13 |
E |
3187 |
2953 |
0.926 |
272 |
2625 |
|
|
14 |
E |
3059 |
2776 |
0.907 |
272 |
2626 |
|
|
15 |
E |
1631 |
1471 |
0.902 |
272 |
2627 |
|
|
16 |
E |
1604 |
1444 |
0.900 |
272 |
2628 |
|
|
17 |
E |
1566 |
1409 |
0.900 |
272 |
2629 |
|
|
18 |
E |
1430 |
1275 |
0.892 |
272 |
2630 |
|
|
19 |
E |
1213 |
1103 |
0.910 |
272 |
2631 |
|
|
20 |
E |
1141 |
1043 |
0.915 |
272 |
2632 |
|
|
21 |
E |
453 |
424 |
0.934 |
272 |
2633 |
|
|
22 |
E |
279 |
281 |
1.005 |
272 |
2634 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3228 |
2974 |
0.921 |
273 |
2635 |
|
|
2 |
A' |
3225 |
2953 |
0.916 |
273 |
2636 |
|
|
3 |
A' |
3195 |
2940 |
0.920 |
273 |
2637 |
|
|
4 |
A' |
3158 |
2876 |
0.911 |
273 |
2638 |
|
|
5 |
A' |
3051 |
2757 |
0.904 |
273 |
2639 |
|
|
6 |
A' |
1991 |
1752 |
0.880 |
273 |
2640 |
|
|
7 |
A' |
1628 |
1474 |
0.906 |
273 |
2641 |
|
|
8 |
A' |
1620 |
1449 |
0.894 |
273 |
2642 |
|
|
9 |
A' |
1549 |
1399 |
0.903 |
273 |
2643 |
|
|
10 |
A' |
1534 |
1381 |
0.900 |
273 |
2644 |
|
|
11 |
A' |
1439 |
1329 |
0.923 |
273 |
2645 |
|
|
12 |
A' |
1285 |
1182 |
0.920 |
273 |
2646 |
|
|
13 |
A' |
1281 |
1138 |
0.888 |
273 |
2647 |
|
|
14 |
A' |
987 |
922 |
0.934 |
273 |
2648 |
|
|
15 |
A' |
899 |
800 |
0.890 |
273 |
2649 |
|
|
16 |
A' |
581 |
632 |
1.087 |
273 |
2650 |
|
|
17 |
A' |
381 |
395 |
1.037 |
273 |
2651 |
|
|
18 |
A' |
353 |
272 |
0.770 |
273 |
2652 |
|
|
19 |
A' |
250 |
212 |
0.849 |
273 |
2653 |
|
|
20 |
A" |
3224 |
2990 |
0.927 |
273 |
2654 |
|
|
21 |
A" |
3210 |
2982 |
0.929 |
273 |
2655 |
|
|
22 |
A" |
3152 |
2885 |
0.915 |
273 |
2656 |
|
|
23 |
A" |
1609 |
1467 |
0.912 |
273 |
2657 |
|
|
24 |
A" |
1604 |
1452 |
0.905 |
273 |
2658 |
|
|
25 |
A" |
1525 |
1437 |
0.942 |
273 |
2659 |
|
|
26 |
A" |
1464 |
1290 |
0.881 |
273 |
2660 |
|
|
27 |
A" |
1244 |
1109 |
0.892 |
273 |
2661 |
|
|
28 |
A" |
1057 |
965 |
0.913 |
273 |
2662 |
|
|
29 |
A" |
1040 |
942 |
0.905 |
273 |
2663 |
|
|
30 |
A" |
1003 |
933 |
0.930 |
273 |
2664 |
|
|
31 |
A" |
354 |
351 |
0.992 |
273 |
2665 |
|
|
32 |
A" |
222 |
227 |
1.024 |
273 |
2666 |
|
|
33 |
A" |
73 |
75 |
1.021 |
273 |
2667 |
CH3CH(CH3)CH3 |
Isobutane |
1 |
A1 |
3209 |
2965 |
0.924 |
274 |
2668 |
|
|
2 |
A1 |
3152 |
2904 |
0.921 |
274 |
2669 |
|
|
3 |
A1 |
3129 |
2880 |
0.921 |
274 |
2670 |
|
|
4 |
A1 |
1630 |
1477 |
0.906 |
274 |
2671 |
|
|
5 |
A1 |
1551 |
1394 |
0.899 |
274 |
2672 |
|
|
6 |
A1 |
1312 |
1177 |
0.897 |
274 |
2673 |
|
|
7 |
A1 |
841 |
797 |
0.948 |
274 |
2674 |
|
|
8 |
A1 |
462 |
426 |
0.923 |
274 |
2675 |
|
|
9 |
A2 |
3202 |
|
|
274 |
2676 |
|
|
10 |
A2 |
1598 |
|
|
274 |
2677 |
|
|
11 |
A2 |
1033 |
|
|
274 |
2678 |
|
|
12 |
A2 |
220 |
198 |
0.901 |
274 |
2679 |
|
|
13 |
E |
3209 |
2962 |
0.923 |
274 |
2680 |
|
|
14 |
E |
3194 |
2951 |
0.924 |
274 |
2681 |
|
|
15 |
E |
3142 |
2887 |
0.919 |
274 |
2682 |
|
|
16 |
E |
1622 |
1468 |
0.905 |
274 |
2683 |
|
|
17 |
E |
1604 |
1459 |
0.909 |
274 |
2684 |
|
|
18 |
E |
1527 |
1371 |
0.898 |
274 |
2685 |
|
|
19 |
E |
1477 |
1330 |
0.901 |
274 |
2686 |
|
|
20 |
E |
1286 |
1166 |
0.907 |
274 |
2687 |
|
|
21 |
E |
1037 |
961 |
0.926 |
274 |
2688 |
|
|
22 |
E |
995 |
918 |
0.923 |
274 |
2689 |
|
|
23 |
E |
389 |
367 |
0.942 |
274 |
2690 |
|
|
24 |
E |
276 |
280 |
1.016 |
274 |
2691 |
CH3CH2CH2CH3 |
Butane |
1 |
Ag |
3208 |
2965 |
0.924 |
275 |
2692 |
|
|
2 |
Ag |
3152 |
2872 |
0.911 |
275 |
2693 |
|
|
3 |
Ag |
3135 |
2853 |
0.910 |
275 |
2694 |
|
|
4 |
Ag |
1620 |
1460 |
0.901 |
275 |
2695 |
|
|
5 |
Ag |
1606 |
1442 |
0.898 |
275 |
2696 |
|
|
6 |
Ag |
1538 |
1382 |
0.899 |
275 |
2697 |
|
|
7 |
Ag |
1523 |
1361 |
0.894 |
275 |
2698 |
|
|
8 |
Ag |
1261 |
1151 |
0.912 |
275 |
2699 |
|
|
9 |
Ag |
1126 |
1059 |
0.940 |
275 |
2700 |
|
|
10 |
Ag |
893 |
837 |
0.937 |
275 |
2701 |
|
|
11 |
Ag |
451 |
425 |
0.943 |
275 |
2702 |
|
|
12 |
Au |
3210 |
2968 |
0.925 |
275 |
2703 |
|
|
13 |
Au |
3170 |
2930 |
0.924 |
275 |
2704 |
|
|
14 |
Au |
1614 |
1461 |
0.905 |
275 |
2705 |
|
|
15 |
Au |
1395 |
1257 |
0.901 |
275 |
2706 |
|
|
16 |
Au |
1031 |
948 |
0.919 |
275 |
2707 |
|
|
17 |
Au |
784 |
731 |
0.932 |
275 |
2708 |
|
|
18 |
Au |
239 |
194 |
0.810 |
275 |
2709 |
|
|
19 |
Au |
126 |
102 |
0.811 |
275 |
2710 |
|
|
20 |
Bg |
3202 |
2965 |
0.926 |
275 |
2711 |
|
|
21 |
Bg |
3148 |
2912 |
0.925 |
275 |
2712 |
|
|
22 |
Bg |
1613 |
1460 |
0.905 |
275 |
2713 |
|
|
23 |
Bg |
1438 |
1300 |
0.904 |
275 |
2714 |
|
|
24 |
Bg |
1313 |
1180 |
0.899 |
275 |
2715 |
|
|
25 |
Bg |
869 |
803 |
0.924 |
275 |
2716 |
|
|
26 |
Bg |
276 |
225 |
0.814 |
275 |
2717 |
|
|
27 |
Bu |
3209 |
2968 |
0.925 |
275 |
2718 |
|
|
28 |
Bu |
3149 |
2870 |
0.912 |
275 |
2719 |
|
|
29 |
Bu |
3142 |
2853 |
0.908 |
275 |
2720 |
|
|
30 |
Bu |
1628 |
1461 |
0.897 |
275 |
2721 |
|
|
31 |
Bu |
1607 |
1461 |
0.909 |
275 |
2722 |
|
|
32 |
Bu |
1536 |
1379 |
0.898 |
275 |
2723 |
|
|
33 |
Bu |
1437 |
1290 |
0.898 |
275 |
2724 |
|
|
34 |
Bu |
1085 |
1009 |
0.930 |
275 |
2725 |
|
|
35 |
Bu |
1044 |
964 |
0.923 |
275 |
2726 |
|
|
36 |
Bu |
277 |
271 |
0.977 |
275 |
2727 |
C6H8 |
(E)-hexa-1,3,5-triene |
1 |
Ag |
3367 |
3085 |
0.916 |
276 |
2728 |
|
|
2 |
Ag |
3297 |
3054 |
0.926 |
276 |
2729 |
|
|
3 |
Ag |
3289 |
3054 |
0.929 |
276 |
2730 |
|
|
4 |
Ag |
3280 |
2989 |
0.911 |
276 |
2731 |
|
|
5 |
Ag |
1866 |
1627 |
0.872 |
276 |
2732 |
|
|
6 |
Ag |
1770 |
1579 |
0.892 |
276 |
2733 |
|
|
7 |
Ag |
1549 |
1400 |
0.904 |
276 |
2734 |
|
|
8 |
Ag |
1441 |
1288 |
0.894 |
276 |
2735 |
|
|
9 |
Ag |
1420 |
1220 |
0.859 |
276 |
2736 |
|
|
10 |
Ag |
1299 |
1192 |
0.917 |
276 |
2737 |
|
|
11 |
Ag |
1011 |
934 |
0.924 |
276 |
2738 |
|
|
12 |
Ag |
468 |
444 |
0.948 |
276 |
2739 |
|
|
13 |
Ag |
377 |
355 |
0.943 |
276 |
2740 |
|
|
14 |
Au |
1148 |
1013 |
0.882 |
276 |
2741 |
|
|
15 |
Au |
1082 |
941 |
0.869 |
276 |
2742 |
|
|
16 |
Au |
1052 |
901 |
0.856 |
276 |
2743 |
|
|
17 |
Au |
774 |
683 |
0.883 |
276 |
2744 |
|
|
18 |
Au |
270 |
|
|
276 |
2745 |
|
|
19 |
Au |
100 |
90 |
0.904 |
276 |
2746 |
|
|
20 |
Bg |
1121 |
988 |
0.881 |
276 |
2747 |
|
|
21 |
Bg |
1062 |
928 |
0.874 |
276 |
2748 |
|
|
22 |
Bg |
1004 |
872 |
0.868 |
276 |
2749 |
|
|
23 |
Bg |
669 |
|
|
276 |
2750 |
|
|
24 |
Bg |
216 |
217 |
1.004 |
276 |
2751 |
|
|
25 |
Bu |
3367 |
3099 |
0.920 |
276 |
2752 |
|
|
26 |
Bu |
3300 |
3045 |
0.923 |
276 |
2753 |
|
|
27 |
Bu |
3289 |
3019 |
0.918 |
276 |
2754 |
|
|
28 |
Bu |
3279 |
2953 |
0.901 |
276 |
2755 |
|
|
29 |
Bu |
1828 |
1629 |
0.891 |
276 |
2756 |
|
|
30 |
Bu |
1582 |
1432 |
0.905 |
276 |
2757 |
|
|
31 |
Bu |
1429 |
1295 |
0.906 |
276 |
2758 |
|
|
32 |
Bu |
1384 |
1255 |
0.907 |
276 |
2759 |
|
|
33 |
Bu |
1216 |
1186 |
0.975 |
276 |
2760 |
|
|
34 |
Bu |
1036 |
963 |
0.930 |
276 |
2761 |
|
|
35 |
Bu |
580 |
590 |
1.018 |
276 |
2762 |
|
|
36 |
Bu |
159 |
170 |
1.068 |
276 |
2763 |
C4H9N |
Pyrrolidine |
1 |
A' |
3769 |
3356 |
0.890 |
277 |
2764 |
|
|
2 |
A' |
3238 |
2975 |
0.919 |
277 |
2765 |
|
|
3 |
A' |
3211 |
2927 |
0.912 |
277 |
2766 |
|
|
4 |
A' |
3194 |
2889 |
0.904 |
277 |
2767 |
|
|
5 |
A' |
3083 |
2824 |
0.916 |
277 |
2768 |
|
|
6 |
A' |
1658 |
1484 |
0.895 |
277 |
2769 |
|
|
7 |
A' |
1630 |
1447 |
0.888 |
277 |
2770 |
|
|
8 |
A' |
1527 |
1292 |
0.846 |
277 |
2771 |
|
|
9 |
A' |
1437 |
1273 |
0.886 |
277 |
2772 |
|
|
10 |
A' |
1363 |
1228 |
0.901 |
277 |
2773 |
|
|
11 |
A' |
1332 |
1181 |
0.887 |
277 |
2774 |
|
|
12 |
A' |
1142 |
974 |
0.853 |
277 |
2775 |
|
|
13 |
A' |
1068 |
920 |
0.861 |
277 |
2776 |
|
|
14 |
A' |
1008 |
901 |
0.894 |
277 |
2777 |
|
|
15 |
A' |
957 |
871 |
0.910 |
277 |
2778 |
|
|
16 |
A' |
939 |
832 |
0.886 |
277 |
2779 |
|
|
17 |
A' |
826 |
789 |
0.955 |
277 |
2780 |
|
|
18 |
A' |
621 |
579 |
0.932 |
277 |
2781 |
|
|
19 |
A' |
301 |
299 |
0.992 |
277 |
2782 |
|
|
20 |
A" |
3215 |
2967 |
0.923 |
277 |
2783 |
|
|
21 |
A" |
3201 |
2916 |
0.911 |
277 |
2784 |
|
|
22 |
A" |
3181 |
2879 |
0.905 |
277 |
2785 |
|
|
23 |
A" |
3077 |
2818 |
0.916 |
277 |
2786 |
|
|
24 |
A" |
1641 |
1459 |
0.889 |
277 |
2787 |
|
|
25 |
A" |
1609 |
1412 |
0.878 |
277 |
2788 |
|
|
26 |
A" |
1576 |
1341 |
0.851 |
277 |
2789 |
|
|
27 |
A" |
1451 |
1268 |
0.874 |
277 |
2790 |
|
|
28 |
A" |
1433 |
1211 |
0.845 |
277 |
2791 |
|
|
29 |
A" |
1359 |
1203 |
0.885 |
277 |
2792 |
|
|
30 |
A" |
1315 |
1171 |
0.891 |
277 |
2793 |
|
|
31 |
A" |
1233 |
1099 |
0.891 |
277 |
2794 |
|
|
32 |
A" |
1194 |
1023 |
0.857 |
277 |
2795 |
|
|
33 |
A" |
991 |
883 |
0.891 |
277 |
2796 |
|
|
34 |
A" |
935 |
848 |
0.907 |
277 |
2797 |
|
|
35 |
A" |
685 |
600 |
0.876 |
277 |
2798 |
|
|
36 |
A" |
73 |
65 |
0.888 |
277 |
2799 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3716 |
3345 |
0.900 |
278 |
2800 |
|
|
2 |
A' |
3251 |
2975 |
0.915 |
278 |
2801 |
|
|
3 |
A' |
3219 |
2950 |
0.916 |
278 |
2802 |
|
|
4 |
A' |
3201 |
2918 |
0.912 |
278 |
2803 |
|
|
5 |
A' |
3182 |
2905 |
0.913 |
278 |
2804 |
|
|
6 |
A' |
3124 |
2887 |
0.924 |
278 |
2805 |
|
|
7 |
A' |
1787 |
1614 |
0.903 |
278 |
2806 |
|
|
8 |
A' |
1629 |
1467 |
0.900 |
278 |
2807 |
|
|
9 |
A' |
1597 |
1443 |
0.904 |
278 |
2808 |
|
|
10 |
A' |
1510 |
1390 |
0.921 |
278 |
2809 |
|
|
11 |
A' |
1418 |
1291 |
0.910 |
278 |
2810 |
|
|
12 |
A' |
1343 |
1237 |
0.921 |
278 |
2811 |
|
|
13 |
A' |
1261 |
1137 |
0.902 |
278 |
2812 |
|
|
14 |
A' |
1156 |
1120 |
0.969 |
278 |
2813 |
|
|
15 |
A' |
1016 |
1050 |
1.033 |
278 |
2814 |
|
|
16 |
A' |
950 |
965 |
1.016 |
278 |
2815 |
|
|
17 |
A' |
936 |
788 |
0.842 |
278 |
2816 |
|
|
18 |
A' |
867 |
752 |
0.867 |
278 |
2817 |
|
|
19 |
A' |
724 |
606 |
0.837 |
278 |
2818 |
|
|
20 |
A' |
429 |
448 |
1.044 |
278 |
2819 |
|
|
21 |
A' |
156 |
174 |
1.118 |
278 |
2820 |
|
|
22 |
A" |
3794 |
3411 |
0.899 |
278 |
2821 |
|
|
23 |
A" |
3225 |
2970 |
0.921 |
278 |
2822 |
|
|
24 |
A" |
3178 |
2957 |
0.930 |
278 |
2823 |
|
|
25 |
A" |
1592 |
1452 |
0.912 |
278 |
2824 |
|
|
26 |
A" |
1466 |
1213 |
0.827 |
278 |
2825 |
|
|
27 |
A" |
1390 |
1185 |
0.853 |
278 |
2826 |
|
|
28 |
A" |
1378 |
1168 |
0.848 |
278 |
2827 |
|
|
29 |
A" |
1323 |
1036 |
0.783 |
278 |
2828 |
|
|
30 |
A" |
1270 |
|
|
278 |
2829 |
|
|
31 |
A" |
1109 |
925 |
0.834 |
278 |
2830 |
|
|
32 |
A" |
999 |
912 |
0.913 |
278 |
2831 |
|
|
33 |
A" |
982 |
883 |
0.900 |
278 |
2832 |
|
|
34 |
A" |
821 |
788 |
0.960 |
278 |
2833 |
|
|
35 |
A" |
420 |
354 |
0.844 |
278 |
2834 |
|
|
36 |
A" |
285 |
240 |
0.841 |
278 |
2835 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3233 |
2968 |
0.918 |
279 |
2836 |
|
|
2 |
Ag |
3135 |
2856 |
0.911 |
279 |
2837 |
|
|
3 |
Ag |
1636 |
1444 |
0.883 |
279 |
2838 |
|
|
4 |
Ag |
1568 |
1397 |
0.891 |
279 |
2839 |
|
|
5 |
Ag |
1443 |
1305 |
0.904 |
279 |
2840 |
|
|
6 |
Ag |
1260 |
1128 |
0.895 |
279 |
2841 |
|
|
7 |
Ag |
1114 |
1015 |
0.911 |
279 |
2842 |
|
|
8 |
Ag |
919 |
837 |
0.911 |
279 |
2843 |
|
|
9 |
Ag |
469 |
435 |
0.927 |
279 |
2844 |
|
|
10 |
Ag |
440 |
424 |
0.965 |
279 |
2845 |
|
|
11 |
Au |
3229 |
2970 |
0.920 |
279 |
2846 |
|
|
12 |
Au |
3126 |
2863 |
0.916 |
279 |
2847 |
|
|
13 |
Au |
1620 |
1449 |
0.894 |
279 |
2848 |
|
|
14 |
Au |
1528 |
1369 |
0.896 |
279 |
2849 |
|
|
15 |
Au |
1397 |
1256 |
0.899 |
279 |
2850 |
|
|
16 |
Au |
1284 |
1136 |
0.885 |
279 |
2851 |
|
|
17 |
Au |
1212 |
1086 |
0.896 |
279 |
2852 |
|
|
18 |
Au |
966 |
881 |
0.912 |
279 |
2853 |
|
|
19 |
Au |
267 |
288 |
1.078 |
279 |
2854 |
|
|
20 |
Bg |
3229 |
2968 |
0.919 |
279 |
2855 |
|
|
21 |
Bg |
3136 |
2856 |
0.911 |
279 |
2856 |
|
|
22 |
Bg |
1615 |
1459 |
0.903 |
279 |
2857 |
|
|
23 |
Bg |
1486 |
1335 |
0.898 |
279 |
2858 |
|
|
24 |
Bg |
1349 |
1217 |
0.902 |
279 |
2859 |
|
|
25 |
Bg |
1276 |
1110 |
0.870 |
279 |
2860 |
|
|
26 |
Bg |
940 |
853 |
0.907 |
279 |
2861 |
|
|
27 |
Bg |
533 |
490 |
0.919 |
279 |
2862 |
|
|
28 |
Bu |
3231 |
2970 |
0.919 |
279 |
2863 |
|
|
29 |
Bu |
3144 |
2863 |
0.911 |
279 |
2864 |
|
|
30 |
Bu |
1630 |
1457 |
0.894 |
279 |
2865 |
|
|
31 |
Bu |
1544 |
1378 |
0.893 |
279 |
2866 |
|
|
32 |
Bu |
1435 |
1291 |
0.900 |
279 |
2867 |
|
|
33 |
Bu |
1155 |
1052 |
0.911 |
279 |
2868 |
|
|
34 |
Bu |
984 |
889 |
0.904 |
279 |
2869 |
|
|
35 |
Bu |
670 |
610 |
0.911 |
279 |
2870 |
|
|
36 |
Bu |
283 |
274 |
0.968 |
279 |
2871 |
C6H5CHO |
benzaldehyde |
1 |
A' |
3360 |
3099 |
0.922 |
280 |
2872 |
|
|
2 |
A' |
3348 |
3081 |
0.920 |
280 |
2873 |
|
|
3 |
A' |
3337 |
3081 |
0.923 |
280 |
2874 |
|
|
4 |
A' |
3323 |
3043 |
0.916 |
280 |
2875 |
|
|
5 |
A' |
3315 |
3034 |
0.915 |
280 |
2876 |
|
|
6 |
A' |
3100 |
2806 |
0.905 |
280 |
2877 |
|
|
7 |
A' |
1967 |
1728 |
0.878 |
280 |
2878 |
|
|
8 |
A' |
1783 |
1614 |
0.905 |
280 |
2879 |
|
|
9 |
A' |
1763 |
1603 |
0.909 |
280 |
2880 |
|
|
10 |
A' |
1649 |
1492 |
0.905 |
280 |
2881 |
|
|
11 |
A' |
1604 |
1460 |
0.910 |
280 |
2882 |
|
|
12 |
A' |
1541 |
1387 |
0.900 |
280 |
2883 |
|
|
13 |
A' |
1454 |
1314 |
0.904 |
280 |
2884 |
|
|
14 |
A' |
1339 |
1276 |
0.953 |
280 |
2885 |
|
|
15 |
A' |
1305 |
1202 |
0.921 |
280 |
2886 |
|
|
16 |
A' |
1276 |
1168 |
0.915 |
280 |
2887 |
|
|
17 |
A' |
1212 |
1158 |
0.956 |
280 |
2888 |
|
|
18 |
A' |
1162 |
1074 |
0.924 |
280 |
2889 |
|
|
19 |
A' |
1114 |
1026 |
0.921 |
280 |
2890 |
|
|
20 |
A' |
1084 |
996 |
0.919 |
280 |
2891 |
|
|
21 |
A' |
889 |
825 |
0.928 |
280 |
2892 |
|
|
22 |
A' |
705 |
649 |
0.921 |
280 |
2893 |
|
|
23 |
A' |
672 |
617 |
0.918 |
280 |
2894 |
|
|
24 |
A' |
470 |
437 |
0.930 |
280 |
2895 |
|
|
25 |
A' |
238 |
224 |
0.942 |
280 |
2896 |
|
|
26 |
A" |
1151 |
1003 |
0.871 |
280 |
2897 |
|
|
27 |
A" |
1129 |
996 |
0.882 |
280 |
2898 |
|
|
28 |
A" |
1113 |
978 |
0.879 |
280 |
2899 |
|
|
29 |
A" |
1049 |
918 |
0.875 |
280 |
2900 |
|
|
30 |
A" |
957 |
852 |
0.890 |
280 |
2901 |
|
|
31 |
A" |
837 |
740 |
0.884 |
280 |
2902 |
|
|
32 |
A" |
758 |
688 |
0.908 |
280 |
2903 |
|
|
33 |
A" |
506 |
450 |
0.890 |
280 |
2904 |
|
|
34 |
A" |
453 |
400 |
0.882 |
280 |
2905 |
|
|
35 |
A" |
249 |
217 |
0.871 |
280 |
2906 |
|
|
36 |
A" |
120 |
111 |
0.926 |
280 |
2907 |
C2H5SC2H5 |
Diethyl sulfide |
1 |
A1 |
3221 |
2967 |
0.921 |
281 |
2908 |
|
|
2 |
A1 |
3176 |
2874 |
0.905 |
281 |
2909 |
|
|
3 |
A1 |
3162 |
2853 |
0.902 |
281 |
2910 |
|
|
4 |
A1 |
1621 |
1450 |
0.895 |
281 |
2911 |
|
|
5 |
A1 |
1613 |
1427 |
0.885 |
281 |
2912 |
|
|
6 |
A1 |
1538 |
1380 |
0.897 |
281 |
2913 |
|
|
7 |
A1 |
1440 |
1270 |
0.882 |
281 |
2914 |
|
|
8 |
A1 |
1185 |
1047 |
0.883 |
281 |
2915 |
|
|
9 |
A1 |
1056 |
974 |
0.923 |
281 |
2916 |
|
|
10 |
A1 |
753 |
657 |
0.872 |
281 |
2917 |
|
|
11 |
A1 |
352 |
334 |
0.949 |
281 |
2918 |
|
|
12 |
A1 |
152 |
|
|
281 |
2919 |
|
|
13 |
A2 |
3236 |
2967 |
0.917 |
281 |
2920 |
|
|
14 |
A2 |
3208 |
2930 |
0.913 |
281 |
2921 |
|
|
15 |
A2 |
1610 |
|
|
281 |
2922 |
|
|
16 |
A2 |
1371 |
|
|
281 |
2923 |
|
|
17 |
A2 |
1122 |
|
|
281 |
2924 |
|
|
18 |
A2 |
839 |
|
|
281 |
2925 |
|
|
19 |
A2 |
260 |
|
|
281 |
2926 |
|
|
20 |
A2 |
91 |
|
|
281 |
2927 |
|
|
21 |
B1 |
3235 |
2967 |
0.917 |
281 |
2928 |
|
|
22 |
B1 |
3207 |
2930 |
0.914 |
281 |
2929 |
|
|
23 |
B1 |
1609 |
1450 |
0.901 |
281 |
2930 |
|
|
24 |
B1 |
1377 |
1242 |
0.902 |
281 |
2931 |
|
|
25 |
B1 |
1145 |
|
|
281 |
2932 |
|
|
26 |
B1 |
857 |
780 |
0.910 |
281 |
2933 |
|
|
27 |
B1 |
254 |
|
|
281 |
2934 |
|
|
28 |
B1 |
65 |
|
|
281 |
2935 |
|
|
29 |
B2 |
3221 |
2967 |
0.921 |
281 |
2936 |
|
|
30 |
B2 |
3173 |
2874 |
0.906 |
281 |
2937 |
|
|
31 |
B2 |
3161 |
2853 |
0.902 |
281 |
2938 |
|
|
32 |
B2 |
1619 |
1450 |
0.896 |
281 |
2939 |
|
|
33 |
B2 |
1607 |
1427 |
0.888 |
281 |
2940 |
|
|
34 |
B2 |
1535 |
1380 |
0.899 |
281 |
2941 |
|
|
35 |
B2 |
1405 |
1259 |
0.896 |
281 |
2942 |
|
|
36 |
B2 |
1130 |
1017 |
0.900 |
281 |
2943 |
|
|
37 |
B2 |
1052 |
974 |
0.926 |
281 |
2944 |
|
|
38 |
B2 |
752 |
693 |
0.921 |
281 |
2945 |
|
|
39 |
B2 |
362 |
345 |
0.953 |
281 |
2946 |
CH3C(SCH3)HCH3 |
Propane, 2-(methylthio)- |
1 |
A |
3262 |
2971 |
0.911 |
282 |
2947 |
|
|
2 |
A |
3252 |
2971 |
0.913 |
282 |
2948 |
|
|
3 |
A |
3236 |
2971 |
0.918 |
282 |
2949 |
|
|
4 |
A |
3232 |
2971 |
0.919 |
282 |
2950 |
|
|
5 |
A |
3218 |
2971 |
0.923 |
282 |
2951 |
|
|
6 |
A |
3209 |
2971 |
0.926 |
282 |
2952 |
|
|
7 |
A |
3177 |
2918 |
0.919 |
282 |
2953 |
|
|
8 |
A |
3174 |
2899 |
0.913 |
282 |
2954 |
|
|
9 |
A |
3161 |
2867 |
0.907 |
282 |
2955 |
|
|
10 |
A |
3153 |
2867 |
0.909 |
282 |
2956 |
|
|
11 |
A |
1625 |
1448 |
0.891 |
282 |
2957 |
|
|
12 |
A |
1617 |
1448 |
0.896 |
282 |
2958 |
|
|
13 |
A |
1608 |
1448 |
0.901 |
282 |
2959 |
|
|
14 |
A |
1606 |
1448 |
0.902 |
282 |
2960 |
|
|
15 |
A |
1601 |
1448 |
0.904 |
282 |
2961 |
|
|
16 |
A |
1588 |
1448 |
0.912 |
282 |
2962 |
|
|
17 |
A |
1545 |
1386 |
0.897 |
282 |
2963 |
|
|
18 |
A |
1529 |
1364 |
0.892 |
282 |
2964 |
|
|
19 |
A |
1481 |
1339 |
0.904 |
282 |
2965 |
|
|
20 |
A |
1463 |
1315 |
0.899 |
282 |
2966 |
|
|
21 |
A |
1398 |
1244 |
0.890 |
282 |
2967 |
|
|
22 |
A |
1284 |
1154 |
0.899 |
282 |
2968 |
|
|
23 |
A |
1214 |
1110 |
0.914 |
282 |
2969 |
|
|
24 |
A |
1168 |
1058 |
0.906 |
282 |
2970 |
|
|
25 |
A |
1058 |
|
|
282 |
2971 |
|
|
26 |
A |
1049 |
954 |
0.909 |
282 |
2972 |
|
|
27 |
A |
1035 |
|
|
282 |
2973 |
|
|
28 |
A |
1009 |
924 |
0.916 |
282 |
2974 |
|
|
29 |
A |
948 |
882 |
0.930 |
282 |
2975 |
|
|
30 |
A |
782 |
724 |
0.925 |
282 |
2976 |
|
|
31 |
A |
688 |
632 |
0.919 |
282 |
2977 |
|
|
32 |
A |
453 |
427 |
0.942 |
282 |
2978 |
|
|
33 |
A |
370 |
336 |
0.907 |
282 |
2979 |
|
|
34 |
A |
354 |
|
|
282 |
2980 |
|
|
35 |
A |
271 |
|
|
282 |
2981 |
|
|
36 |
A |
241 |
|
|
282 |
2982 |
|
|
37 |
A |
219 |
215 |
0.982 |
282 |
2983 |
|
|
38 |
A |
179 |
|
|
282 |
2984 |
|
|
39 |
A |
69 |
|
|
282 |
2985 |
C8H8 |
cubane |
1 |
A1g |
3275 |
2995 |
0.915 |
283 |
2986 |
|
|
2 |
A1g |
1084 |
1002 |
0.925 |
283 |
2987 |
|
|
3 |
A2u |
3234 |
2978 |
0.921 |
283 |
2988 |
|
|
4 |
A2u |
1144 |
839 |
0.733 |
283 |
2989 |
|
|
5 |
Eg |
1229 |
1083 |
0.882 |
283 |
2990 |
|
|
6 |
Eg |
978 |
912 |
0.933 |
283 |
2991 |
|
|
7 |
Eu |
1292 |
1151 |
0.891 |
283 |
2992 |
|
|
8 |
Eu |
682 |
617 |
0.904 |
283 |
2993 |
|
|
9 |
T1g |
1276 |
1130 |
0.885 |
283 |
2994 |
|
|
10 |
T1u |
3254 |
2978 |
0.915 |
283 |
2995 |
|
|
11 |
T1u |
1395 |
1230 |
0.882 |
283 |
2996 |
|
|
12 |
T1u |
929 |
853 |
0.918 |
283 |
2997 |
|
|
13 |
T2g |
3244 |
2970 |
0.916 |
283 |
2998 |
|
|
14 |
T2g |
1361 |
1182 |
0.868 |
283 |
2999 |
|
|
15 |
T2g |
915 |
821 |
0.897 |
283 |
3000 |
|
|
16 |
T2g |
735 |
665 |
0.904 |
283 |
3001 |
|
|
17 |
T2u |
1193 |
1036 |
0.868 |
283 |
3002 |
|
|
18 |
T2u |
905 |
829 |
0.916 |
283 |
3003 |
C5H12 |
Pentane |
1 |
A1 |
3208 |
2973 |
0.927 |
284 |
3004 |
|
|
2 |
A1 |
3151 |
2892 |
0.918 |
284 |
3005 |
|
|
3 |
A1 |
3145 |
2866 |
0.911 |
284 |
3006 |
|
|
4 |
A1 |
3129 |
2866 |
0.916 |
284 |
3007 |
|
|
5 |
A1 |
1631 |
1480 |
0.908 |
284 |
3008 |
|
|
6 |
A1 |
1612 |
1463 |
0.907 |
284 |
3009 |
|
|
7 |
A1 |
1606 |
1450 |
0.903 |
284 |
3010 |
|
|
8 |
A1 |
1539 |
1379 |
0.896 |
284 |
3011 |
|
|
9 |
A1 |
1490 |
1346 |
0.904 |
284 |
3012 |
|
|
10 |
A1 |
1254 |
1144 |
0.912 |
284 |
3013 |
|
|
11 |
A1 |
1103 |
1036 |
0.939 |
284 |
3014 |
|
|
12 |
A1 |
934 |
867 |
0.929 |
284 |
3015 |
|
|
13 |
A1 |
421 |
401 |
0.952 |
284 |
3016 |
|
|
14 |
A1 |
192 |
179 |
0.934 |
284 |
3017 |
|
|
15 |
A2 |
3204 |
2967 |
0.926 |
284 |
3018 |
|
|
16 |
A2 |
3157 |
2908 |
0.921 |
284 |
3019 |
|
|
17 |
A2 |
1614 |
1462 |
0.906 |
284 |
3020 |
|
|
18 |
A2 |
1440 |
1346 |
0.935 |
284 |
3021 |
|
|
19 |
A2 |
1372 |
1269 |
0.925 |
284 |
3022 |
|
|
20 |
A2 |
1066 |
993 |
0.932 |
284 |
3023 |
|
|
21 |
A2 |
819 |
766 |
0.936 |
284 |
3024 |
|
|
22 |
A2 |
268 |
210 |
0.783 |
284 |
3025 |
|
|
23 |
A2 |
113 |
131 |
1.162 |
284 |
3026 |
|
|
24 |
B1 |
3208 |
2965 |
0.924 |
284 |
3027 |
|
|
25 |
B1 |
3176 |
2930 |
0.922 |
284 |
3028 |
|
|
26 |
B1 |
3142 |
2930 |
0.933 |
284 |
3029 |
|
|
27 |
B1 |
1613 |
1469 |
0.910 |
284 |
3030 |
|
|
28 |
B1 |
1433 |
1303 |
0.909 |
284 |
3031 |
|
|
29 |
B1 |
1312 |
1170 |
0.892 |
284 |
3032 |
|
|
30 |
B1 |
930 |
858 |
0.923 |
284 |
3033 |
|
|
31 |
B1 |
780 |
727 |
0.932 |
284 |
3034 |
|
|
32 |
B1 |
258 |
215 |
0.834 |
284 |
3035 |
|
|
33 |
B1 |
122 |
88 |
0.722 |
284 |
3036 |
|
|
34 |
B2 |
3207 |
2965 |
0.924 |
284 |
3037 |
|
|
35 |
B2 |
3148 |
2879 |
0.914 |
284 |
3038 |
|
|
36 |
B2 |
3136 |
2866 |
0.914 |
284 |
3039 |
|
|
37 |
B2 |
1622 |
1476 |
0.910 |
284 |
3040 |
|
|
38 |
B2 |
1605 |
1456 |
0.907 |
284 |
3041 |
|
|
39 |
B2 |
1540 |
1389 |
0.902 |
284 |
3042 |
|
|
40 |
B2 |
1533 |
1379 |
0.900 |
284 |
3043 |
|
|
41 |
B2 |
1403 |
1269 |
0.905 |
284 |
3044 |
|
|
42 |
B2 |
1143 |
1073 |
0.939 |
284 |
3045 |
|
|
43 |
B2 |
1112 |
1024 |
0.921 |
284 |
3046 |
|
|
44 |
B2 |
980 |
910 |
0.928 |
284 |
3047 |
|
|
45 |
B2 |
424 |
406 |
0.958 |
284 |
3048 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3158 |
2909 |
0.921 |
285 |
3049 |
|
|
2 |
A1 |
1562 |
1381 |
0.884 |
285 |
3050 |
|
|
3 |
A1 |
769 |
733 |
0.954 |
285 |
3051 |
|
|
4 |
A2 |
205 |
198 |
0.966 |
285 |
3052 |
|
|
5 |
E |
3200 |
2955 |
0.924 |
285 |
3053 |
|
|
6 |
E |
1607 |
1451 |
0.903 |
285 |
3054 |
|
|
7 |
E |
1180 |
999 |
0.846 |
285 |
3055 |
|
|
8 |
E |
351 |
335 |
0.955 |
285 |
3056 |
|
|
9 |
T1 |
3198 |
2975 |
0.930 |
285 |
3057 |
|
|
10 |
T1 |
1600 |
1461 |
0.913 |
285 |
3058 |
|
|
11 |
T1 |
1037 |
932 |
0.899 |
285 |
3059 |
|
|
12 |
T1 |
294 |
203 |
0.690 |
285 |
3060 |
|
|
13 |
T2 |
3210 |
2959 |
0.922 |
285 |
3061 |
|
|
14 |
T2 |
3143 |
2876 |
0.915 |
285 |
3062 |
|
|
15 |
T2 |
1634 |
1475 |
0.903 |
285 |
3063 |
|
|
16 |
T2 |
1525 |
1372 |
0.900 |
285 |
3064 |
|
|
17 |
T2 |
1383 |
1256 |
0.908 |
285 |
3065 |
|
|
18 |
T2 |
992 |
925 |
0.933 |
285 |
3066 |
|
|
19 |
T2 |
444 |
418 |
0.940 |
285 |
3067 |
C5H11N |
Piperidine |
1 |
A' |
3768 |
3341 |
0.887 |
286 |
3068 |
|
|
2 |
A' |
3200 |
2947 |
0.921 |
286 |
3069 |
|
|
3 |
A' |
3195 |
2931 |
0.917 |
286 |
3070 |
|
|
4 |
A' |
3184 |
2917 |
0.916 |
286 |
3071 |
|
|
5 |
A' |
3154 |
2892 |
0.917 |
286 |
3072 |
|
|
6 |
A' |
3135 |
2850 |
0.909 |
286 |
3073 |
|
|
7 |
A' |
3058 |
2730 |
0.893 |
286 |
3074 |
|
|
8 |
A' |
1641 |
1476 |
0.900 |
286 |
3075 |
|
|
9 |
A' |
1620 |
1452 |
0.896 |
286 |
3076 |
|
|
10 |
A' |
1607 |
1444 |
0.898 |
286 |
3077 |
|
|
11 |
A' |
1556 |
1386 |
0.891 |
286 |
3078 |
|
|
12 |
A' |
1509 |
1365 |
0.905 |
286 |
3079 |
|
|
13 |
A' |
1422 |
1346 |
0.946 |
286 |
3080 |
|
|
14 |
A' |
1390 |
1266 |
0.911 |
286 |
3081 |
|
|
15 |
A' |
1276 |
1164 |
0.912 |
286 |
3082 |
|
|
16 |
A' |
1149 |
1035 |
0.901 |
286 |
3083 |
|
|
17 |
A' |
1119 |
1006 |
0.899 |
286 |
3084 |
|
|
18 |
A' |
965 |
906 |
0.939 |
286 |
3085 |
|
|
19 |
A' |
940 |
853 |
0.907 |
286 |
3086 |
|
|
20 |
A' |
868 |
822 |
0.947 |
286 |
3087 |
|
|
21 |
A' |
835 |
743 |
0.890 |
286 |
3088 |
|
|
22 |
A' |
585 |
546 |
0.933 |
286 |
3089 |
|
|
23 |
A' |
463 |
432 |
0.933 |
286 |
3090 |
|
|
24 |
A' |
421 |
404 |
0.959 |
286 |
3091 |
|
|
25 |
A' |
257 |
246 |
0.957 |
286 |
3092 |
|
|
26 |
A" |
3194 |
2940 |
0.920 |
286 |
3093 |
|
|
27 |
A" |
3189 |
2902 |
0.910 |
286 |
3094 |
|
|
28 |
A" |
3155 |
2850 |
0.903 |
286 |
3095 |
|
|
29 |
A" |
3051 |
2803 |
0.919 |
286 |
3096 |
|
|
30 |
A" |
1635 |
1468 |
0.898 |
286 |
3097 |
|
|
31 |
A" |
1615 |
1460 |
0.904 |
286 |
3098 |
|
|
32 |
A" |
1600 |
1436 |
0.898 |
286 |
3099 |
|
|
33 |
A" |
1507 |
1332 |
0.884 |
286 |
3100 |
|
|
34 |
A" |
1489 |
1318 |
0.885 |
286 |
3101 |
|
|
35 |
A" |
1471 |
1285 |
0.873 |
286 |
3102 |
|
|
36 |
A" |
1398 |
1258 |
0.900 |
286 |
3103 |
|
|
37 |
A" |
1280 |
1191 |
0.931 |
286 |
3104 |
|
|
38 |
A" |
1265 |
1146 |
0.906 |
286 |
3105 |
|
|
39 |
A" |
1235 |
1115 |
0.903 |
286 |
3106 |
|
|
40 |
A" |
1130 |
1052 |
0.931 |
286 |
3107 |
|
|
41 |
A" |
1056 |
964 |
0.913 |
286 |
3108 |
|
|
42 |
A" |
935 |
874 |
0.935 |
286 |
3109 |
|
|
43 |
A" |
887 |
810 |
0.913 |
286 |
3110 |
|
|
44 |
A" |
483 |
445 |
0.922 |
286 |
3111 |
|
|
45 |
A" |
263 |
254 |
0.967 |
286 |
3112 |
C6H12 |
Cyclohexane |
1 |
A1g |
3184 |
2930 |
0.920 |
287 |
3113 |
|
|
2 |
A1g |
3132 |
2852 |
0.911 |
287 |
3114 |
|
|
3 |
A1g |
1635 |
1465 |
0.896 |
287 |
3115 |
|
|
4 |
A1g |
1288 |
1157 |
0.898 |
287 |
3116 |
|
|
5 |
A1g |
847 |
802 |
0.947 |
287 |
3117 |
|
|
6 |
A1g |
402 |
383 |
0.953 |
287 |
3118 |
|
|
7 |
A1u |
1501 |
1383 |
0.922 |
287 |
3119 |
|
|
8 |
A1u |
1224 |
1157 |
0.945 |
287 |
3120 |
|
|
9 |
A1u |
1169 |
1057 |
0.904 |
287 |
3121 |
|
|
10 |
A2g |
1466 |
1437 |
0.980 |
287 |
3122 |
|
|
11 |
A2g |
1149 |
1090 |
0.949 |
287 |
3123 |
|
|
12 |
A2u |
3189 |
2915 |
0.914 |
287 |
3124 |
|
|
13 |
A2u |
3137 |
2860 |
0.912 |
287 |
3125 |
|
|
14 |
A2u |
1616 |
1437 |
0.889 |
287 |
3126 |
|
|
15 |
A2u |
1129 |
1030 |
0.912 |
287 |
3127 |
|
|
16 |
A2u |
560 |
523 |
0.933 |
287 |
3128 |
|
|
17 |
Eg |
3177 |
2930 |
0.922 |
287 |
3129 |
|
|
18 |
Eg |
3135 |
2897 |
0.924 |
287 |
3130 |
|
|
19 |
Eg |
1605 |
1443 |
0.899 |
287 |
3131 |
|
|
20 |
Eg |
1509 |
1347 |
0.893 |
287 |
3132 |
|
|
21 |
Eg |
1396 |
1266 |
0.907 |
287 |
3133 |
|
|
22 |
Eg |
1099 |
1027 |
0.934 |
287 |
3134 |
|
|
23 |
Eg |
856 |
785 |
0.917 |
287 |
3135 |
|
|
24 |
Eg |
460 |
426 |
0.927 |
287 |
3136 |
|
|
25 |
Eu |
3177 |
2933 |
0.923 |
287 |
3137 |
|
|
26 |
Eu |
3129 |
2863 |
0.915 |
287 |
3138 |
|
|
27 |
Eu |
1615 |
1457 |
0.902 |
287 |
3139 |
|
|
28 |
Eu |
1507 |
1355 |
0.899 |
287 |
3140 |
|
|
29 |
Eu |
1387 |
1261 |
0.909 |
287 |
3141 |
|
|
30 |
Eu |
989 |
907 |
0.917 |
287 |
3142 |
|
|
31 |
Eu |
917 |
863 |
0.942 |
287 |
3143 |
|
|
32 |
Eu |
247 |
248 |
1.005 |
287 |
3144 |
C6H14 |
Hexane |
1 |
Ag |
3207 |
2966 |
0.925 |
288 |
3145 |
|
|
2 |
Ag |
3150 |
2877 |
0.913 |
288 |
3146 |
|
|
3 |
Ag |
3140 |
2863 |
0.912 |
288 |
3147 |
|
|
4 |
Ag |
3129 |
2852 |
0.911 |
288 |
3148 |
|
|
5 |
Ag |
1625 |
1460 |
0.899 |
288 |
3149 |
|
|
6 |
Ag |
1608 |
1460 |
0.908 |
288 |
3150 |
|
|
7 |
Ag |
1606 |
1440 |
0.897 |
288 |
3151 |
|
|
8 |
Ag |
1544 |
1397 |
0.905 |
288 |
3152 |
|
|
9 |
Ag |
1536 |
1366 |
0.889 |
288 |
3153 |
|
|
10 |
Ag |
1458 |
1305 |
0.895 |
288 |
3154 |
|
|
11 |
Ag |
1249 |
1140 |
0.912 |
288 |
3155 |
|
|
12 |
Ag |
1133 |
1065 |
0.940 |
288 |
3156 |
|
|
13 |
Ag |
1070 |
1007 |
0.941 |
288 |
3157 |
|
|
14 |
Ag |
971 |
901 |
0.928 |
288 |
3158 |
|
|
15 |
Ag |
390 |
371 |
0.952 |
288 |
3159 |
|
|
16 |
Ag |
317 |
305 |
0.963 |
288 |
3160 |
|
|
17 |
Au |
3208 |
2967 |
0.925 |
288 |
3161 |
|
|
18 |
Au |
3181 |
2936 |
0.923 |
288 |
3162 |
|
|
19 |
Au |
3148 |
2920 |
0.928 |
288 |
3163 |
|
|
20 |
Au |
1614 |
1460 |
0.905 |
288 |
3164 |
|
|
21 |
Au |
1444 |
1303 |
0.902 |
288 |
3165 |
|
|
22 |
Au |
1357 |
1222 |
0.900 |
288 |
3166 |
|
|
23 |
Au |
1087 |
1010 |
0.929 |
288 |
3167 |
|
|
24 |
Au |
866 |
824 |
0.952 |
288 |
3168 |
|
|
25 |
Au |
778 |
726 |
0.933 |
288 |
3169 |
|
|
26 |
Au |
269 |
216 |
0.803 |
288 |
3170 |
|
|
27 |
Au |
107 |
94 |
0.878 |
288 |
3171 |
|
|
28 |
Au |
79 |
61 |
0.774 |
288 |
3172 |
|
|
29 |
Bg |
3205 |
2966 |
0.925 |
288 |
3173 |
|
|
30 |
Bg |
3164 |
2908 |
0.919 |
288 |
3174 |
|
|
31 |
Bg |
3140 |
2908 |
0.926 |
288 |
3175 |
|
|
32 |
Bg |
1614 |
1460 |
0.905 |
288 |
3176 |
|
|
33 |
Bg |
1439 |
1305 |
0.907 |
288 |
3177 |
|
|
34 |
Bg |
1415 |
1283 |
0.907 |
288 |
3178 |
|
|
35 |
Bg |
1311 |
1168 |
0.891 |
288 |
3179 |
|
|
36 |
Bg |
975 |
894 |
0.917 |
288 |
3180 |
|
|
37 |
Bg |
796 |
740 |
0.929 |
288 |
3181 |
|
|
38 |
Bg |
258 |
208 |
0.806 |
288 |
3182 |
|
|
39 |
Bg |
158 |
125 |
0.790 |
288 |
3183 |
|
|
40 |
Bu |
3207 |
2967 |
0.925 |
288 |
3184 |
|
|
41 |
Bu |
3149 |
2884 |
0.916 |
288 |
3185 |
|
|
42 |
Bu |
3145 |
2867 |
0.912 |
288 |
3186 |
|
|
43 |
Bu |
3129 |
2851 |
0.911 |
288 |
3187 |
|
|
44 |
Bu |
1631 |
1476 |
0.905 |
288 |
3188 |
|
|
45 |
Bu |
1616 |
1465 |
0.907 |
288 |
3189 |
|
|
46 |
Bu |
1604 |
1452 |
0.905 |
288 |
3190 |
|
|
47 |
Bu |
1538 |
1387 |
0.902 |
288 |
3191 |
|
|
48 |
Bu |
1515 |
1375 |
0.908 |
288 |
3192 |
|
|
49 |
Bu |
1380 |
1249 |
0.905 |
288 |
3193 |
|
|
50 |
Bu |
1155 |
1061 |
0.919 |
288 |
3194 |
|
|
51 |
Bu |
1117 |
1035 |
0.927 |
288 |
3195 |
|
|
52 |
Bu |
943 |
888 |
0.942 |
288 |
3196 |
|
|
53 |
Bu |
497 |
470 |
0.945 |
288 |
3197 |
|
|
54 |
Bu |
141 |
139 |
0.983 |
288 |
3198 |