H2 |
Hydrogen diatomic |
1 |
Σg |
4587 |
4161 |
0.907 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1429 |
1360 |
0.952 |
2 |
2 |
NaH |
sodium hydride |
1 |
Σ |
1168 |
1133 |
0.970 |
3 |
3 |
CH |
Methylidyne |
1 |
Σ |
3026 |
2733 |
0.903 |
4 |
4 |
CN |
Cyano radical |
1 |
Σ |
2016 |
2042 |
1.013 |
5 |
5 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2732 |
2330 |
0.853 |
6 |
6 |
OH |
Hydroxyl radical |
1 |
Σ |
4039 |
3570 |
0.884 |
7 |
7 |
BeO |
beryllium oxide |
1 |
Σ |
1730 |
1435 |
0.829 |
8 |
8 |
CO |
Carbon monoxide |
1 |
Σ |
2425 |
2143 |
0.884 |
9 |
9 |
MgO |
magnesium oxide |
1 |
Σ |
798 |
775 |
0.972 |
10 |
10 |
CS |
carbon monosulfide |
1 |
Σ |
1423 |
1272 |
0.894 |
11 |
11 |
HF |
Hydrogen fluoride |
1 |
Σ |
4482 |
3961 |
0.884 |
12 |
12 |
LiF |
lithium fluoride |
1 |
Σ |
939 |
896 |
0.954 |
13 |
13 |
CF |
Fluoromethylidyne |
1 |
Σ |
1418 |
1286 |
0.907 |
14 |
14 |
F2 |
Fluorine diatomic |
1 |
Σg |
1267 |
894 |
0.706 |
15 |
15 |
NaF |
sodium fluoride |
1 |
Σ |
548 |
529 |
0.964 |
16 |
16 |
HCl |
Hydrogen chloride |
1 |
Σ |
3143 |
2886 |
0.918 |
17 |
17 |
LiCl |
lithium chloride |
1 |
Σ |
644 |
634 |
0.984 |
18 |
18 |
CCl |
carbon monochloride |
1 |
Σ |
872 |
866 |
0.993 |
19 |
19 |
NaCl |
Sodium Chloride |
1 |
Σ |
356 |
361 |
1.013 |
20 |
20 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
616 |
554 |
0.900 |
21 |
21 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2281 |
2159 |
0.946 |
22 |
22 |
|
|
3 |
Πu |
740 |
698 |
0.943 |
22 |
23 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1670 |
1572 |
0.941 |
23 |
24 |
|
|
3 |
Πu |
459 |
440 |
0.958 |
23 |
25 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3622 |
3312 |
0.914 |
24 |
26 |
|
|
2 |
Σ |
2406 |
2089 |
0.868 |
24 |
27 |
|
|
3 |
Π |
874 |
712 |
0.815 |
24 |
28 |
HNC |
hydrogen isocyanide |
1 |
Σ |
4055 |
3653 |
0.901 |
25 |
29 |
|
|
2 |
Σ |
2286 |
2029 |
0.888 |
25 |
30 |
|
|
3 |
Π |
543 |
477 |
0.878 |
25 |
31 |
HCP |
Phosphaethyne |
1 |
Σ |
3515 |
3217 |
0.915 |
26 |
32 |
|
|
2 |
Σ |
1468 |
1278 |
0.871 |
26 |
33 |
|
|
3 |
Π |
829 |
674 |
0.813 |
26 |
34 |
H2O |
Water |
1 |
A1 |
4128 |
3657 |
0.886 |
27 |
35 |
|
|
2 |
A1 |
1753 |
1595 |
0.910 |
27 |
36 |
|
|
3 |
B2 |
4228 |
3756 |
0.888 |
27 |
37 |
LiOH |
lithium hydroxide |
1 |
Σ |
4314 |
3688 |
0.855 |
28 |
38 |
|
|
2 |
Σ |
980 |
871 |
0.888 |
28 |
39 |
|
|
3 |
Π |
346 |
257 |
0.740 |
28 |
40 |
HCO |
Formyl radical |
1 |
A' |
2851 |
2434 |
0.854 |
29 |
41 |
|
|
2 |
A' |
2123 |
1868 |
0.880 |
29 |
42 |
|
|
3 |
A' |
1225 |
1081 |
0.882 |
29 |
43 |
HO2 |
Hydroperoxy radical |
1 |
A' |
4061 |
3436 |
0.846 |
30 |
44 |
|
|
2 |
A' |
1604 |
1392 |
0.868 |
30 |
45 |
|
|
3 |
A' |
1257 |
1098 |
0.873 |
30 |
46 |
CO2 |
Carbon dioxide |
1 |
Σg |
1511 |
1333 |
0.882 |
31 |
47 |
|
|
2 |
Σu |
2564 |
2349 |
0.916 |
31 |
48 |
|
|
3 |
Πu |
773 |
667 |
0.863 |
31 |
49 |
NaOH |
sodium hydroxide |
1 |
Σ |
4258 |
3637 |
0.854 |
32 |
50 |
|
|
2 |
Σ |
580 |
540 |
0.931 |
32 |
51 |
|
|
3 |
Π |
301 |
300 |
0.997 |
32 |
52 |
SiO2 |
silicon dioxide |
3 |
Πu |
353 |
273 |
0.772 |
33 |
53 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2858 |
2615 |
0.915 |
34 |
54 |
|
|
2 |
A1 |
1320 |
1183 |
0.896 |
34 |
55 |
|
|
3 |
B2 |
2866 |
2626 |
0.916 |
34 |
56 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2286 |
2062 |
0.902 |
35 |
57 |
|
|
2 |
Σ |
897 |
859 |
0.957 |
35 |
58 |
|
|
3 |
Π |
595 |
520 |
0.874 |
35 |
59 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1393 |
1151 |
0.827 |
36 |
60 |
|
|
2 |
A1 |
612 |
518 |
0.846 |
36 |
61 |
|
|
3 |
B2 |
1602 |
1362 |
0.850 |
36 |
62 |
CS2 |
Carbon disulfide |
1 |
Σg |
723 |
658 |
0.910 |
37 |
63 |
|
|
2 |
Σu |
1582 |
1535 |
0.970 |
37 |
64 |
|
|
3 |
Πu |
457 |
397 |
0.868 |
37 |
65 |
CF2 |
Difluoromethylene |
1 |
A1 |
1386 |
1225 |
0.884 |
38 |
66 |
|
|
2 |
A1 |
743 |
667 |
0.898 |
38 |
67 |
|
|
3 |
B2 |
1289 |
1114 |
0.865 |
38 |
68 |
FNO |
Nitrosyl fluoride |
1 |
A' |
2102 |
1844 |
0.877 |
39 |
69 |
|
|
2 |
A' |
952 |
766 |
0.804 |
39 |
70 |
|
|
3 |
A' |
710 |
520 |
0.733 |
39 |
71 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1270 |
1075 |
0.847 |
40 |
72 |
|
|
2 |
A1 |
669 |
573 |
0.856 |
40 |
73 |
|
|
3 |
B2 |
1177 |
942 |
0.801 |
40 |
74 |
F2O |
Difluorine monoxide |
1 |
A1 |
1215 |
928 |
0.764 |
41 |
75 |
|
|
2 |
A1 |
593 |
461 |
0.777 |
41 |
76 |
|
|
3 |
B2 |
1209 |
831 |
0.687 |
41 |
77 |
ClCN |
chlorocyanogen |
1 |
Σ |
2568 |
2216 |
0.863 |
42 |
78 |
|
|
2 |
Σ |
797 |
744 |
0.934 |
42 |
79 |
|
|
3 |
Π |
458 |
378 |
0.825 |
42 |
80 |
ClNO |
Nitrosyl chloride |
1 |
A' |
2089 |
1800 |
0.862 |
43 |
81 |
|
|
2 |
A' |
670 |
596 |
0.889 |
43 |
82 |
|
|
3 |
A' |
315 |
332 |
1.052 |
43 |
83 |
CCl2 |
dichloromethylene |
1 |
A1 |
783 |
730 |
0.932 |
44 |
84 |
|
|
2 |
A1 |
363 |
335 |
0.924 |
44 |
85 |
|
|
3 |
B2 |
845 |
758 |
0.897 |
44 |
86 |
AlH3 |
aluminum trihydride |
1 |
A1' |
2003 |
1900 |
0.949 |
45 |
87 |
|
|
2 |
A2" |
754 |
698 |
0.926 |
45 |
88 |
|
|
3 |
E' |
1991 |
1883 |
0.946 |
45 |
89 |
|
|
4 |
E' |
845 |
783 |
0.927 |
45 |
90 |
C2H2 |
Acetylene |
1 |
Σg |
3673 |
3374 |
0.918 |
46 |
91 |
|
|
2 |
Σg |
2213 |
1974 |
0.892 |
46 |
92 |
|
|
3 |
Σu |
3555 |
3289 |
0.925 |
46 |
93 |
|
|
4 |
Πg |
808 |
612 |
0.758 |
46 |
94 |
|
|
5 |
Πu |
869 |
730 |
0.840 |
46 |
95 |
NH3 |
Ammonia |
1 |
A1 |
3685 |
3337 |
0.905 |
47 |
96 |
|
|
2 |
A1 |
1127 |
950 |
0.843 |
47 |
97 |
|
|
3 |
E |
3808 |
3444 |
0.905 |
47 |
98 |
|
|
4 |
E |
1795 |
1627 |
0.906 |
47 |
99 |
C2N2 |
Cyanogen |
1 |
Σg |
2722 |
2330 |
0.856 |
48 |
100 |
|
|
2 |
Σg |
916 |
846 |
0.924 |
48 |
101 |
|
|
3 |
Σu |
2520 |
2158 |
0.856 |
48 |
102 |
|
|
4 |
Πg |
607 |
503 |
0.828 |
48 |
103 |
|
|
5 |
Πu |
280 |
234 |
0.835 |
48 |
104 |
H2CO |
Formaldehyde |
1 |
A1 |
3084 |
2782 |
0.902 |
49 |
105 |
|
|
2 |
A1 |
1999 |
1746 |
0.873 |
49 |
106 |
|
|
3 |
A1 |
1652 |
1500 |
0.908 |
49 |
107 |
|
|
4 |
B1 |
1337 |
1167 |
0.873 |
49 |
108 |
|
|
5 |
B2 |
3153 |
2843 |
0.902 |
49 |
109 |
|
|
6 |
B2 |
1370 |
1249 |
0.911 |
49 |
110 |
H2O2 |
Hydrogen peroxide |
1 |
A |
4138 |
3599 |
0.870 |
50 |
111 |
|
|
2 |
A |
1607 |
1402 |
0.872 |
50 |
112 |
|
|
3 |
A |
1162 |
877 |
0.755 |
50 |
113 |
|
|
4 |
A |
409 |
371 |
0.908 |
50 |
114 |
|
|
5 |
B |
4137 |
3608 |
0.872 |
50 |
115 |
|
|
6 |
B |
1488 |
1266 |
0.851 |
50 |
116 |
HNCO |
Isocyanic acid |
1 |
A' |
3878 |
3538 |
0.912 |
51 |
117 |
|
|
2 |
A' |
2456 |
2269 |
0.924 |
51 |
118 |
|
|
3 |
A' |
1444 |
1327 |
0.919 |
51 |
119 |
|
|
4 |
A' |
891 |
777 |
0.872 |
51 |
120 |
|
|
5 |
A' |
602 |
577 |
0.960 |
51 |
121 |
|
|
6 |
A" |
725 |
656 |
0.905 |
51 |
122 |
HNO2 |
Nitrous acid |
1 |
A' |
4132 |
3591 |
0.869 |
52 |
123 |
|
|
2 |
A' |
2020 |
1700 |
0.842 |
52 |
124 |
|
|
3 |
A' |
1497 |
1263 |
0.844 |
52 |
125 |
|
|
4 |
A' |
1071 |
790 |
0.738 |
52 |
126 |
|
|
5 |
A' |
796 |
596 |
0.748 |
52 |
127 |
|
|
6 |
A" |
593 |
543 |
0.916 |
52 |
128 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3237 |
2971 |
0.918 |
53 |
129 |
|
|
2 |
A1 |
1621 |
1456 |
0.898 |
53 |
130 |
|
|
3 |
A1 |
1176 |
1059 |
0.901 |
53 |
131 |
|
|
4 |
B1 |
1156 |
990 |
0.857 |
53 |
132 |
|
|
5 |
B2 |
3322 |
3025 |
0.910 |
53 |
133 |
|
|
6 |
B2 |
1075 |
991 |
0.921 |
53 |
134 |
SO3 |
Sulfur trioxide |
1 |
A1' |
1263 |
1065 |
0.843 |
54 |
135 |
|
|
2 |
A2" |
598 |
498 |
0.833 |
54 |
136 |
|
|
3 |
E' |
1599 |
1391 |
0.870 |
54 |
137 |
|
|
4 |
E' |
612 |
530 |
0.866 |
54 |
138 |
CF2O |
Carbonic difluoride |
1 |
A1 |
2153 |
1928 |
0.896 |
55 |
139 |
|
|
2 |
A1 |
1097 |
965 |
0.879 |
55 |
140 |
|
|
3 |
A1 |
645 |
584 |
0.906 |
55 |
141 |
|
|
4 |
B1 |
891 |
774 |
0.869 |
55 |
142 |
|
|
5 |
B2 |
1443 |
1249 |
0.866 |
55 |
143 |
|
|
6 |
B2 |
693 |
626 |
0.903 |
55 |
144 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
952 |
888 |
0.932 |
56 |
145 |
|
|
2 |
A2" |
740 |
691 |
0.933 |
56 |
146 |
|
|
3 |
E' |
1567 |
1449 |
0.925 |
56 |
147 |
|
|
4 |
E' |
513 |
480 |
0.935 |
56 |
148 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1217 |
1089 |
0.895 |
57 |
149 |
|
|
2 |
A1 |
770 |
701 |
0.910 |
57 |
150 |
|
|
3 |
E |
1422 |
1260 |
0.886 |
57 |
151 |
|
|
4 |
E |
561 |
509 |
0.907 |
57 |
152 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1242 |
1032 |
0.831 |
58 |
153 |
|
|
2 |
A1 |
772 |
647 |
0.838 |
58 |
154 |
|
|
3 |
E |
1210 |
907 |
0.749 |
58 |
155 |
|
|
4 |
E |
594 |
492 |
0.828 |
58 |
156 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
736 |
690 |
0.937 |
59 |
157 |
|
|
2 |
A2" |
314 |
297 |
0.945 |
59 |
158 |
|
|
3 |
E' |
1011 |
935 |
0.925 |
59 |
159 |
|
|
4 |
E' |
260 |
263 |
1.011 |
59 |
160 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
980 |
892 |
0.910 |
60 |
161 |
|
|
2 |
A1 |
539 |
487 |
0.904 |
60 |
162 |
|
|
3 |
E |
944 |
860 |
0.911 |
60 |
163 |
|
|
4 |
E |
384 |
344 |
0.895 |
60 |
164 |
C2Cl2 |
dichloroacetylene |
4 |
Πg |
488 |
333 |
0.682 |
61 |
165 |
|
|
5 |
Πu |
201 |
172 |
0.855 |
61 |
166 |
CCl2O |
Phosgene |
1 |
A1 |
2048 |
1827 |
0.892 |
62 |
167 |
|
|
2 |
A1 |
624 |
567 |
0.908 |
62 |
168 |
|
|
3 |
A1 |
324 |
285 |
0.879 |
62 |
169 |
|
|
4 |
B1 |
657 |
580 |
0.883 |
62 |
170 |
|
|
5 |
B2 |
955 |
849 |
0.889 |
62 |
171 |
|
|
6 |
B2 |
494 |
440 |
0.890 |
62 |
172 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
400 |
375 |
0.937 |
63 |
173 |
|
|
2 |
A2" |
218 |
183 |
0.841 |
63 |
174 |
|
|
3 |
E' |
637 |
595 |
0.934 |
63 |
175 |
|
|
4 |
E' |
156 |
150 |
0.962 |
63 |
176 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
548 |
504 |
0.920 |
64 |
177 |
|
|
2 |
A1 |
284 |
252 |
0.888 |
64 |
178 |
|
|
3 |
E |
541 |
482 |
0.891 |
64 |
179 |
|
|
4 |
E |
206 |
198 |
0.963 |
64 |
180 |
CH4 |
Methane |
1 |
A1 |
3148 |
2917 |
0.927 |
65 |
181 |
|
|
2 |
E |
1666 |
1534 |
0.921 |
65 |
182 |
|
|
3 |
T2 |
3246 |
3019 |
0.930 |
65 |
183 |
|
|
4 |
T2 |
1454 |
1306 |
0.898 |
65 |
184 |
CH2NH |
Methanimine |
1 |
A' |
3699 |
3263 |
0.882 |
66 |
185 |
|
|
2 |
A' |
3277 |
3024 |
0.923 |
66 |
186 |
|
|
3 |
A' |
3190 |
2914 |
0.914 |
66 |
187 |
|
|
4 |
A' |
1867 |
1638 |
0.877 |
66 |
188 |
|
|
5 |
A' |
1604 |
1452 |
0.905 |
66 |
189 |
|
|
6 |
A' |
1482 |
1344 |
0.907 |
66 |
190 |
|
|
7 |
A' |
1153 |
1058 |
0.918 |
66 |
191 |
|
|
8 |
A" |
1259 |
1127 |
0.895 |
66 |
192 |
|
|
9 |
A" |
1227 |
1061 |
0.864 |
66 |
193 |
CH2CO |
Ketene |
1 |
A1 |
3328 |
3070 |
0.923 |
67 |
194 |
|
|
2 |
A1 |
2358 |
2152 |
0.913 |
67 |
195 |
|
|
3 |
A1 |
1541 |
1388 |
0.901 |
67 |
196 |
|
|
4 |
A1 |
1247 |
1118 |
0.896 |
67 |
197 |
|
|
5 |
B1 |
696 |
588 |
0.844 |
67 |
198 |
|
|
6 |
B1 |
641 |
528 |
0.824 |
67 |
199 |
|
|
7 |
B2 |
3431 |
3166 |
0.923 |
67 |
200 |
|
|
8 |
B2 |
1092 |
977 |
0.894 |
67 |
201 |
|
|
9 |
B2 |
492 |
433 |
0.880 |
67 |
202 |
HCOOH |
Formic acid |
1 |
A' |
4089 |
3570 |
0.873 |
68 |
203 |
|
|
2 |
A' |
3240 |
2943 |
0.908 |
68 |
204 |
|
|
3 |
A' |
2000 |
1770 |
0.885 |
68 |
205 |
|
|
4 |
A' |
1535 |
1387 |
0.904 |
68 |
206 |
|
|
5 |
A' |
1423 |
1229 |
0.864 |
68 |
207 |
|
|
6 |
A' |
1256 |
1105 |
0.880 |
68 |
208 |
|
|
7 |
A' |
695 |
625 |
0.899 |
68 |
209 |
|
|
8 |
A" |
1193 |
1033 |
0.866 |
68 |
210 |
|
|
9 |
A" |
695 |
638 |
0.918 |
68 |
211 |
HNO3 |
Nitric acid |
1 |
A' |
4074 |
3550 |
0.871 |
69 |
212 |
|
|
2 |
A' |
1940 |
1708 |
0.880 |
69 |
213 |
|
|
3 |
A' |
1583 |
1331 |
0.841 |
69 |
214 |
|
|
4 |
A' |
1484 |
1325 |
0.893 |
69 |
215 |
|
|
5 |
A' |
1131 |
879 |
0.777 |
69 |
216 |
|
|
6 |
A' |
791 |
647 |
0.817 |
69 |
217 |
|
|
7 |
A' |
691 |
579 |
0.838 |
69 |
218 |
|
|
8 |
A" |
928 |
762 |
0.821 |
69 |
219 |
|
|
9 |
A" |
541 |
456 |
0.843 |
69 |
220 |
CH3F |
Methyl fluoride |
1 |
A1 |
3180 |
2930 |
0.921 |
70 |
221 |
|
|
2 |
A1 |
1619 |
1464 |
0.904 |
70 |
222 |
|
|
3 |
A1 |
1172 |
1049 |
0.895 |
70 |
223 |
|
|
4 |
E |
3257 |
3006 |
0.923 |
70 |
224 |
|
|
5 |
E |
1619 |
1467 |
0.906 |
70 |
225 |
|
|
6 |
E |
1306 |
1182 |
0.905 |
70 |
226 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3227 |
2948 |
0.914 |
71 |
227 |
|
|
2 |
A1 |
1679 |
1508 |
0.898 |
71 |
228 |
|
|
3 |
A1 |
1234 |
1111 |
0.901 |
71 |
229 |
|
|
4 |
A1 |
585 |
529 |
0.904 |
71 |
230 |
|
|
5 |
A2 |
1400 |
1262 |
0.901 |
71 |
231 |
|
|
6 |
B1 |
3295 |
3014 |
0.915 |
71 |
232 |
|
|
7 |
B1 |
1298 |
1178 |
0.908 |
71 |
233 |
|
|
8 |
B2 |
1607 |
1435 |
0.893 |
71 |
234 |
|
|
9 |
B2 |
1235 |
1090 |
0.883 |
71 |
235 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3317 |
3036 |
0.915 |
72 |
236 |
|
|
2 |
A1 |
1259 |
1117 |
0.887 |
72 |
237 |
|
|
3 |
A1 |
772 |
700 |
0.906 |
72 |
238 |
|
|
4 |
E |
1551 |
1372 |
0.884 |
72 |
239 |
|
|
5 |
E |
1309 |
1152 |
0.880 |
72 |
240 |
|
|
6 |
E |
560 |
507 |
0.905 |
72 |
241 |
FNO3 |
Fluorine nitrate |
1 |
A' |
1955 |
1759 |
0.900 |
73 |
242 |
|
|
2 |
A' |
1543 |
1301 |
0.843 |
73 |
243 |
|
|
3 |
A' |
1286 |
928 |
0.722 |
73 |
244 |
|
|
4 |
A' |
1033 |
804 |
0.779 |
73 |
245 |
|
|
5 |
A' |
833 |
633 |
0.760 |
73 |
246 |
|
|
6 |
A' |
639 |
455 |
0.712 |
73 |
247 |
|
|
7 |
A' |
400 |
303 |
0.758 |
73 |
248 |
|
|
8 |
A" |
891 |
709 |
0.796 |
73 |
249 |
|
|
9 |
A" |
165 |
152 |
0.923 |
73 |
250 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
1012 |
909 |
0.897 |
74 |
251 |
|
|
2 |
E |
480 |
435 |
0.906 |
74 |
252 |
|
|
3 |
T2 |
1448 |
1283 |
0.886 |
74 |
253 |
|
|
4 |
T2 |
694 |
631 |
0.909 |
74 |
254 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
852 |
800 |
0.939 |
75 |
255 |
|
|
2 |
E |
279 |
268 |
0.960 |
75 |
256 |
|
|
3 |
T2 |
1093 |
1032 |
0.944 |
75 |
257 |
|
|
4 |
T2 |
412 |
389 |
0.945 |
75 |
258 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3214 |
2966 |
0.923 |
76 |
259 |
|
|
2 |
A1 |
1504 |
1355 |
0.901 |
76 |
260 |
|
|
3 |
A1 |
773 |
732 |
0.947 |
76 |
261 |
|
|
4 |
E |
3311 |
3042 |
0.919 |
76 |
262 |
|
|
5 |
E |
1603 |
1455 |
0.908 |
76 |
263 |
|
|
6 |
E |
1116 |
1015 |
0.909 |
76 |
264 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3283 |
2999 |
0.914 |
77 |
265 |
|
|
2 |
A1 |
1596 |
1467 |
0.919 |
77 |
266 |
|
|
3 |
A1 |
765 |
717 |
0.937 |
77 |
267 |
|
|
4 |
A1 |
305 |
282 |
0.924 |
77 |
268 |
|
|
5 |
A2 |
1285 |
1153 |
0.897 |
77 |
269 |
|
|
6 |
B1 |
3360 |
3040 |
0.905 |
77 |
270 |
|
|
7 |
B1 |
981 |
898 |
0.915 |
77 |
271 |
|
|
8 |
B2 |
1415 |
1268 |
0.896 |
77 |
272 |
|
|
9 |
B2 |
828 |
758 |
0.915 |
77 |
273 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1236 |
1105 |
0.894 |
78 |
274 |
|
|
2 |
A1 |
867 |
781 |
0.901 |
78 |
275 |
|
|
3 |
A1 |
517 |
476 |
0.920 |
78 |
276 |
|
|
4 |
E |
1392 |
1212 |
0.870 |
78 |
277 |
|
|
5 |
E |
618 |
563 |
0.911 |
78 |
278 |
|
|
6 |
E |
381 |
350 |
0.919 |
78 |
279 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2387 |
2224 |
0.932 |
79 |
280 |
|
|
2 |
A1 |
1037 |
954 |
0.920 |
79 |
281 |
|
|
3 |
A1 |
546 |
527 |
0.966 |
79 |
282 |
|
|
4 |
A1 |
200 |
188 |
0.942 |
79 |
283 |
|
|
5 |
A2 |
772 |
710 |
0.920 |
79 |
284 |
|
|
6 |
B1 |
2392 |
2237 |
0.935 |
79 |
285 |
|
|
7 |
B1 |
644 |
602 |
0.935 |
79 |
286 |
|
|
8 |
B2 |
952 |
876 |
0.920 |
79 |
287 |
|
|
9 |
B2 |
605 |
590 |
0.976 |
79 |
288 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
1241 |
1061 |
0.855 |
80 |
289 |
|
|
2 |
A1 |
897 |
715 |
0.797 |
80 |
290 |
|
|
3 |
A1 |
674 |
549 |
0.815 |
80 |
291 |
|
|
4 |
E |
1490 |
1315 |
0.882 |
80 |
292 |
|
|
5 |
E |
696 |
589 |
0.846 |
80 |
293 |
|
|
6 |
E |
482 |
405 |
0.841 |
80 |
294 |
CHCl3 |
Chloroform |
1 |
A1 |
3351 |
3034 |
0.905 |
81 |
295 |
|
|
2 |
A1 |
724 |
680 |
0.940 |
81 |
296 |
|
|
3 |
A1 |
396 |
366 |
0.924 |
81 |
297 |
|
|
4 |
E |
1367 |
1220 |
0.892 |
81 |
298 |
|
|
5 |
E |
861 |
774 |
0.899 |
81 |
299 |
|
|
6 |
E |
282 |
260 |
0.921 |
81 |
300 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1257 |
1101 |
0.876 |
82 |
301 |
|
|
2 |
A1 |
736 |
667 |
0.906 |
82 |
302 |
|
|
3 |
A1 |
500 |
458 |
0.917 |
82 |
303 |
|
|
4 |
A1 |
284 |
262 |
0.923 |
82 |
304 |
|
|
5 |
A2 |
354 |
322 |
0.909 |
82 |
305 |
|
|
6 |
B1 |
1012 |
902 |
0.891 |
82 |
306 |
|
|
7 |
B1 |
477 |
437 |
0.915 |
82 |
307 |
|
|
8 |
B2 |
1342 |
1159 |
0.863 |
82 |
308 |
|
|
9 |
B2 |
474 |
446 |
0.940 |
82 |
309 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1256 |
1085 |
0.864 |
83 |
310 |
|
|
2 |
A1 |
582 |
535 |
0.919 |
83 |
311 |
|
|
3 |
A1 |
379 |
350 |
0.923 |
83 |
312 |
|
|
4 |
E |
948 |
847 |
0.894 |
83 |
313 |
|
|
5 |
E |
437 |
394 |
0.902 |
83 |
314 |
|
|
6 |
E |
266 |
241 |
0.905 |
83 |
315 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
497 |
459 |
0.923 |
84 |
316 |
|
|
2 |
E |
238 |
217 |
0.912 |
84 |
317 |
|
|
3 |
T2 |
890 |
776 |
0.872 |
84 |
318 |
|
|
4 |
T2 |
341 |
314 |
0.921 |
84 |
319 |
C2H4 |
Ethylene |
1 |
Ag |
3290 |
3026 |
0.920 |
85 |
320 |
|
|
2 |
Ag |
1820 |
1623 |
0.892 |
85 |
321 |
|
|
3 |
Ag |
1475 |
1342 |
0.910 |
85 |
322 |
|
|
4 |
Au |
1143 |
1023 |
0.895 |
85 |
323 |
|
|
5 |
B1u |
3268 |
2989 |
0.915 |
85 |
324 |
|
|
6 |
B1u |
1589 |
1444 |
0.909 |
85 |
325 |
|
|
7 |
B2g |
1105 |
940 |
0.850 |
85 |
326 |
|
|
8 |
B2u |
3369 |
3105 |
0.922 |
85 |
327 |
|
|
9 |
B2u |
890 |
826 |
0.928 |
85 |
328 |
|
|
10 |
B3g |
3340 |
3086 |
0.924 |
85 |
329 |
|
|
11 |
B3g |
1343 |
1217 |
0.906 |
85 |
330 |
|
|
12 |
B3u |
1085 |
949 |
0.875 |
85 |
331 |
C3H3 |
Propargyl radical |
1 |
A1 |
3590 |
3322 |
0.925 |
86 |
332 |
|
|
6 |
B1 |
671 |
687 |
1.024 |
86 |
333 |
|
|
7 |
B1 |
490 |
490 |
1.000 |
86 |
334 |
C4H2 |
Diacetylene |
6 |
Πg |
816 |
627 |
0.769 |
87 |
335 |
|
|
7 |
Πg |
583 |
482 |
0.826 |
87 |
336 |
|
|
8 |
Πu |
822 |
630 |
0.766 |
87 |
337 |
|
|
9 |
Πu |
259 |
231 |
0.890 |
87 |
338 |
N2H4 |
Hydrazine |
1 |
A |
3804 |
3398 |
0.893 |
88 |
339 |
|
|
2 |
A |
3712 |
3329 |
0.897 |
88 |
340 |
|
|
3 |
A |
1830 |
1642 |
0.897 |
88 |
341 |
|
|
4 |
A |
1444 |
1275 |
0.883 |
88 |
342 |
|
|
5 |
A |
1208 |
1076 |
0.890 |
88 |
343 |
|
|
6 |
A |
941 |
780 |
0.829 |
88 |
344 |
|
|
7 |
A |
468 |
377 |
0.804 |
88 |
345 |
|
|
8 |
B |
3811 |
3350 |
0.879 |
88 |
346 |
|
|
9 |
B |
3703 |
3314 |
0.895 |
88 |
347 |
|
|
10 |
B |
1815 |
1628 |
0.897 |
88 |
348 |
|
|
11 |
B |
1410 |
1275 |
0.904 |
88 |
349 |
|
|
12 |
B |
1067 |
966 |
0.905 |
88 |
350 |
CH3CN |
Acetonitrile |
1 |
A1 |
3194 |
2954 |
0.925 |
89 |
351 |
|
|
2 |
A1 |
2595 |
2267 |
0.874 |
89 |
352 |
|
|
3 |
A1 |
1534 |
1385 |
0.903 |
89 |
353 |
|
|
4 |
A1 |
960 |
920 |
0.959 |
89 |
354 |
|
|
5 |
E |
3270 |
3009 |
0.920 |
89 |
355 |
|
|
6 |
E |
1593 |
1448 |
0.909 |
89 |
356 |
|
|
7 |
E |
1159 |
1041 |
0.898 |
89 |
357 |
|
|
8 |
E |
425 |
362 |
0.853 |
89 |
358 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2681 |
2290 |
0.854 |
90 |
359 |
|
|
2 |
Σg |
2455 |
2119 |
0.863 |
90 |
360 |
|
|
3 |
Σg |
633 |
692 |
1.094 |
90 |
361 |
|
|
4 |
Σu |
2616 |
2241 |
0.857 |
90 |
362 |
|
|
5 |
Σu |
1208 |
1154 |
0.955 |
90 |
363 |
|
|
6 |
Πg |
645 |
504 |
0.782 |
90 |
364 |
|
|
7 |
Πg |
319 |
263 |
0.825 |
90 |
365 |
|
|
8 |
Πu |
561 |
472 |
0.841 |
90 |
366 |
|
|
9 |
Πu |
125 |
107 |
0.855 |
90 |
367 |
CH3OH |
Methyl alcohol |
1 |
A' |
4175 |
3681 |
0.882 |
91 |
368 |
|
|
2 |
A' |
3242 |
3000 |
0.925 |
91 |
369 |
|
|
3 |
A' |
3136 |
2844 |
0.907 |
91 |
370 |
|
|
4 |
A' |
1632 |
1477 |
0.905 |
91 |
371 |
|
|
5 |
A' |
1610 |
1455 |
0.904 |
91 |
372 |
|
|
6 |
A' |
1484 |
1345 |
0.906 |
91 |
373 |
|
|
7 |
A' |
1175 |
1060 |
0.902 |
91 |
374 |
|
|
8 |
A' |
1156 |
1033 |
0.894 |
91 |
375 |
|
|
9 |
A" |
3178 |
2960 |
0.931 |
91 |
376 |
|
|
10 |
A" |
1621 |
1477 |
0.911 |
91 |
377 |
|
|
11 |
A" |
1280 |
1165 |
0.910 |
91 |
378 |
|
|
12 |
A" |
315 |
200 |
0.634 |
91 |
379 |
CHONH2 |
formamide |
1 |
A' |
3960 |
3564 |
0.900 |
92 |
380 |
|
|
2 |
A' |
3819 |
3439 |
0.901 |
92 |
381 |
|
|
3 |
A' |
3142 |
2854 |
0.908 |
92 |
382 |
|
|
4 |
A' |
1963 |
1754 |
0.894 |
92 |
383 |
|
|
5 |
A' |
1765 |
1577 |
0.894 |
92 |
384 |
|
|
6 |
A' |
1546 |
1390 |
0.899 |
92 |
385 |
|
|
7 |
A' |
1362 |
1258 |
0.924 |
92 |
386 |
|
|
8 |
A' |
1148 |
1046 |
0.910 |
92 |
387 |
|
|
9 |
A' |
620 |
581 |
0.938 |
92 |
388 |
|
|
10 |
A" |
1179 |
1021 |
0.866 |
92 |
389 |
|
|
11 |
A" |
667 |
603 |
0.903 |
92 |
390 |
|
|
12 |
A" |
158 |
289 |
1.829 |
92 |
391 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3153 |
2843 |
0.902 |
93 |
392 |
|
|
2 |
Ag |
2027 |
1745 |
0.861 |
93 |
393 |
|
|
3 |
Ag |
1496 |
1338 |
0.894 |
93 |
394 |
|
|
4 |
Ag |
1179 |
1065 |
0.904 |
93 |
395 |
|
|
5 |
Ag |
606 |
551 |
0.909 |
93 |
396 |
|
|
6 |
Au |
910 |
801 |
0.881 |
93 |
397 |
|
|
7 |
Au |
147 |
127 |
0.865 |
93 |
398 |
|
|
8 |
Bg |
1207 |
1048 |
0.868 |
93 |
399 |
|
|
9 |
Bu |
3152 |
2835 |
0.899 |
93 |
400 |
|
|
10 |
Bu |
1991 |
1732 |
0.870 |
93 |
401 |
|
|
11 |
Bu |
1454 |
1312 |
0.902 |
93 |
402 |
|
|
12 |
Bu |
372 |
339 |
0.910 |
93 |
403 |
CH3SH |
Methanethiol |
1 |
A' |
3268 |
3000 |
0.918 |
94 |
404 |
|
|
2 |
A' |
3188 |
2931 |
0.919 |
94 |
405 |
|
|
3 |
A' |
2850 |
2597 |
0.911 |
94 |
406 |
|
|
4 |
A' |
1607 |
1475 |
0.918 |
94 |
407 |
|
|
5 |
A' |
1484 |
1335 |
0.899 |
94 |
408 |
|
|
6 |
A' |
1196 |
1074 |
0.898 |
94 |
409 |
|
|
7 |
A' |
856 |
803 |
0.938 |
94 |
410 |
|
|
8 |
A' |
764 |
708 |
0.927 |
94 |
411 |
|
|
9 |
A" |
3272 |
3000 |
0.917 |
94 |
412 |
|
|
10 |
A" |
1592 |
1430 |
0.898 |
94 |
413 |
|
|
11 |
A" |
1056 |
976 |
0.924 |
94 |
414 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3403 |
3115 |
0.915 |
95 |
415 |
|
|
2 |
A' |
3365 |
3080 |
0.915 |
95 |
416 |
|
|
3 |
A' |
3308 |
3052 |
0.923 |
95 |
417 |
|
|
4 |
A' |
1858 |
1654 |
0.890 |
95 |
418 |
|
|
5 |
A' |
1538 |
1380 |
0.898 |
95 |
419 |
|
|
6 |
A' |
1443 |
1306 |
0.905 |
95 |
420 |
|
|
7 |
A' |
1280 |
1156 |
0.903 |
95 |
421 |
|
|
8 |
A' |
1027 |
929 |
0.904 |
95 |
422 |
|
|
9 |
A' |
527 |
483 |
0.916 |
95 |
423 |
|
|
10 |
A" |
1083 |
940 |
0.868 |
95 |
424 |
|
|
11 |
A" |
1024 |
863 |
0.843 |
95 |
425 |
|
|
12 |
A" |
802 |
711 |
0.886 |
95 |
426 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3337 |
3070 |
0.920 |
96 |
427 |
|
|
2 |
A1 |
1923 |
1728 |
0.898 |
96 |
428 |
|
|
3 |
A1 |
1534 |
1360 |
0.887 |
96 |
429 |
|
|
4 |
A1 |
1028 |
926 |
0.900 |
96 |
430 |
|
|
5 |
A1 |
606 |
550 |
0.907 |
96 |
431 |
|
|
6 |
A2 |
794 |
714 |
0.899 |
96 |
432 |
|
|
7 |
B1 |
963 |
803 |
0.834 |
96 |
433 |
|
|
8 |
B1 |
720 |
611 |
0.849 |
96 |
434 |
|
|
9 |
B2 |
3437 |
3154 |
0.918 |
96 |
435 |
|
|
10 |
B2 |
1471 |
1302 |
0.885 |
96 |
436 |
|
|
11 |
B2 |
1058 |
955 |
0.903 |
96 |
437 |
|
|
12 |
B2 |
479 |
438 |
0.914 |
96 |
438 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2635 |
2275 |
0.863 |
97 |
439 |
|
|
2 |
A1 |
1361 |
1227 |
0.901 |
97 |
440 |
|
|
3 |
A1 |
895 |
802 |
0.896 |
97 |
441 |
|
|
4 |
A1 |
566 |
522 |
0.922 |
97 |
442 |
|
|
5 |
E |
1396 |
1214 |
0.870 |
97 |
443 |
|
|
6 |
E |
699 |
618 |
0.884 |
97 |
444 |
|
|
7 |
E |
523 |
463 |
0.885 |
97 |
445 |
|
|
8 |
E |
222 |
196 |
0.882 |
97 |
446 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
2123 |
1872 |
0.882 |
98 |
447 |
|
|
2 |
Ag |
876 |
778 |
0.888 |
98 |
448 |
|
|
3 |
Ag |
438 |
394 |
0.899 |
98 |
449 |
|
|
4 |
Au |
229 |
190 |
0.830 |
98 |
450 |
|
|
5 |
B1u |
1302 |
1186 |
0.911 |
98 |
451 |
|
|
6 |
B1u |
611 |
558 |
0.913 |
98 |
452 |
|
|
7 |
B2g |
687 |
508 |
0.739 |
98 |
453 |
|
|
8 |
B2u |
1491 |
1337 |
0.897 |
98 |
454 |
|
|
9 |
B2u |
231 |
218 |
0.944 |
98 |
455 |
|
|
10 |
B3g |
1508 |
1340 |
0.889 |
98 |
456 |
|
|
11 |
B3g |
614 |
551 |
0.897 |
98 |
457 |
|
|
12 |
B3u |
490 |
406 |
0.828 |
98 |
458 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
903 |
816 |
0.903 |
99 |
459 |
|
|
2 |
A1' |
704 |
648 |
0.921 |
99 |
460 |
|
|
3 |
A2" |
1037 |
947 |
0.913 |
99 |
461 |
|
|
4 |
A2" |
626 |
575 |
0.919 |
99 |
462 |
|
|
5 |
E' |
1121 |
1024 |
0.913 |
99 |
463 |
|
|
6 |
E' |
580 |
533 |
0.920 |
99 |
464 |
|
|
7 |
E' |
192 |
174 |
0.904 |
99 |
465 |
|
|
8 |
E" |
558 |
520 |
0.932 |
99 |
466 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3390 |
3121 |
0.921 |
100 |
467 |
|
|
2 |
A' |
3369 |
3086 |
0.916 |
100 |
468 |
|
|
3 |
A' |
3298 |
3030 |
0.919 |
100 |
469 |
|
|
4 |
A' |
1808 |
1608 |
0.889 |
100 |
470 |
|
|
5 |
A' |
1521 |
1368 |
0.899 |
100 |
471 |
|
|
6 |
A' |
1411 |
1279 |
0.906 |
100 |
472 |
|
|
7 |
A' |
1131 |
1030 |
0.911 |
100 |
473 |
|
|
8 |
A' |
764 |
720 |
0.942 |
100 |
474 |
|
|
9 |
A' |
427 |
395 |
0.925 |
100 |
475 |
|
|
10 |
A" |
1083 |
941 |
0.869 |
100 |
476 |
|
|
11 |
A" |
1069 |
896 |
0.838 |
100 |
477 |
|
|
12 |
A" |
694 |
620 |
0.894 |
100 |
478 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3317 |
3035 |
0.915 |
101 |
479 |
|
|
2 |
A1 |
1817 |
1627 |
0.895 |
101 |
480 |
|
|
3 |
A1 |
1523 |
1400 |
0.919 |
101 |
481 |
|
|
4 |
A1 |
647 |
603 |
0.933 |
101 |
482 |
|
|
5 |
A1 |
319 |
299 |
0.937 |
101 |
483 |
|
|
6 |
A2 |
775 |
686 |
0.885 |
101 |
484 |
|
|
7 |
B1 |
1055 |
875 |
0.829 |
101 |
485 |
|
|
8 |
B1 |
519 |
460 |
0.886 |
101 |
486 |
|
|
9 |
B2 |
3410 |
3130 |
0.918 |
101 |
487 |
|
|
10 |
B2 |
1208 |
1095 |
0.906 |
101 |
488 |
|
|
11 |
B2 |
865 |
800 |
0.925 |
101 |
489 |
|
|
12 |
B2 |
405 |
372 |
0.917 |
101 |
490 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3387 |
3077 |
0.908 |
102 |
491 |
|
|
2 |
A1 |
1809 |
1587 |
0.877 |
102 |
492 |
|
|
3 |
A1 |
1319 |
1179 |
0.894 |
102 |
493 |
|
|
4 |
A1 |
761 |
711 |
0.934 |
102 |
494 |
|
|
5 |
A1 |
181 |
173 |
0.955 |
102 |
495 |
|
|
6 |
A2 |
1052 |
876 |
0.833 |
102 |
496 |
|
|
7 |
A2 |
461 |
406 |
0.880 |
102 |
497 |
|
|
8 |
B1 |
803 |
697 |
0.868 |
102 |
498 |
|
|
9 |
B2 |
3362 |
3072 |
0.914 |
102 |
499 |
|
|
10 |
B2 |
1439 |
1303 |
0.905 |
102 |
500 |
|
|
11 |
B2 |
919 |
857 |
0.932 |
102 |
501 |
|
|
12 |
B2 |
614 |
571 |
0.929 |
102 |
502 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3389 |
3073 |
0.907 |
103 |
503 |
|
|
2 |
Ag |
1804 |
1578 |
0.875 |
103 |
504 |
|
|
3 |
Ag |
1416 |
1274 |
0.900 |
103 |
505 |
|
|
4 |
Ag |
919 |
846 |
0.920 |
103 |
506 |
|
|
5 |
Ag |
378 |
350 |
0.926 |
103 |
507 |
|
|
6 |
Au |
1049 |
900 |
0.858 |
103 |
508 |
|
|
7 |
Au |
235 |
227 |
0.967 |
103 |
509 |
|
|
8 |
Bg |
922 |
763 |
0.828 |
103 |
510 |
|
|
9 |
Bu |
3383 |
3090 |
0.913 |
103 |
511 |
|
|
10 |
Bu |
1330 |
1200 |
0.902 |
103 |
512 |
|
|
11 |
Bu |
878 |
828 |
0.943 |
103 |
513 |
|
|
12 |
Bu |
257 |
250 |
0.971 |
103 |
514 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3392 |
3082 |
0.909 |
104 |
515 |
|
|
2 |
A' |
1813 |
1586 |
0.875 |
104 |
516 |
|
|
3 |
A' |
1392 |
1247 |
0.896 |
104 |
517 |
|
|
4 |
A' |
1025 |
931 |
0.908 |
104 |
518 |
|
|
5 |
A' |
903 |
840 |
0.930 |
104 |
519 |
|
|
6 |
A' |
679 |
630 |
0.928 |
104 |
520 |
|
|
7 |
A' |
416 |
384 |
0.923 |
104 |
521 |
|
|
8 |
A' |
297 |
277 |
0.932 |
104 |
522 |
|
|
9 |
A' |
186 |
178 |
0.956 |
104 |
523 |
|
|
10 |
A" |
948 |
780 |
0.823 |
104 |
524 |
|
|
11 |
A" |
531 |
451 |
0.849 |
104 |
525 |
|
|
12 |
A" |
228 |
215 |
0.942 |
104 |
526 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1801 |
1571 |
0.872 |
105 |
527 |
|
|
2 |
Ag |
482 |
447 |
0.928 |
105 |
528 |
|
|
3 |
Ag |
258 |
237 |
0.918 |
105 |
529 |
|
|
4 |
Au |
110 |
110 |
0.997 |
105 |
530 |
|
|
5 |
B1u |
840 |
777 |
0.926 |
105 |
531 |
|
|
6 |
B1u |
338 |
310 |
0.918 |
105 |
532 |
|
|
7 |
B2g |
633 |
512 |
0.809 |
105 |
533 |
|
|
8 |
B2u |
985 |
908 |
0.921 |
105 |
534 |
|
|
9 |
B2u |
194 |
176 |
0.905 |
105 |
535 |
|
|
10 |
B3g |
1093 |
1000 |
0.915 |
105 |
536 |
|
|
11 |
B3g |
377 |
347 |
0.922 |
105 |
537 |
|
|
12 |
B3u |
328 |
288 |
0.878 |
105 |
538 |
CH3CCH |
propyne |
1 |
A1 |
3622 |
3334 |
0.920 |
106 |
539 |
|
|
2 |
A1 |
3176 |
2918 |
0.919 |
106 |
540 |
|
|
3 |
A1 |
2386 |
2124 |
0.890 |
106 |
541 |
|
|
4 |
A1 |
1536 |
1382 |
0.900 |
106 |
542 |
|
|
5 |
A1 |
973 |
931 |
0.957 |
106 |
543 |
|
|
6 |
E |
3239 |
3008 |
0.929 |
106 |
544 |
|
|
7 |
E |
1597 |
1452 |
0.909 |
106 |
545 |
|
|
8 |
E |
1153 |
1053 |
0.914 |
106 |
546 |
|
|
9 |
E |
804 |
633 |
0.787 |
106 |
547 |
|
|
10 |
E |
390 |
328 |
0.841 |
106 |
548 |
CH2CCH2 |
allene |
1 |
A1 |
3281 |
3015 |
0.919 |
107 |
549 |
|
|
2 |
A1 |
1606 |
1443 |
0.899 |
107 |
550 |
|
|
3 |
A1 |
1174 |
1073 |
0.914 |
107 |
551 |
|
|
4 |
B1 |
943 |
865 |
0.917 |
107 |
552 |
|
|
5 |
B2 |
3278 |
3007 |
0.917 |
107 |
553 |
|
|
6 |
B2 |
2178 |
1957 |
0.898 |
107 |
554 |
|
|
7 |
B2 |
1543 |
1398 |
0.906 |
107 |
555 |
|
|
8 |
E |
3358 |
3086 |
0.919 |
107 |
556 |
|
|
9 |
E |
1109 |
999 |
0.901 |
107 |
557 |
|
|
10 |
E |
996 |
841 |
0.845 |
107 |
558 |
|
|
11 |
E |
410 |
355 |
0.867 |
107 |
559 |
C3H4 |
cyclopropene |
1 |
A1 |
3461 |
3158 |
0.912 |
108 |
560 |
|
|
2 |
A1 |
3176 |
2909 |
0.916 |
108 |
561 |
|
|
3 |
A1 |
1853 |
1653 |
0.892 |
108 |
562 |
|
|
4 |
A1 |
1641 |
1483 |
0.904 |
108 |
563 |
|
|
5 |
A1 |
1238 |
1110 |
0.896 |
108 |
564 |
|
|
6 |
A1 |
1008 |
905 |
0.897 |
108 |
565 |
|
|
7 |
A2 |
1099 |
996 |
0.906 |
108 |
566 |
|
|
8 |
A2 |
988 |
820 |
0.830 |
108 |
567 |
|
|
9 |
B1 |
3232 |
2995 |
0.927 |
108 |
568 |
|
|
10 |
B1 |
1197 |
1088 |
0.909 |
108 |
569 |
|
|
11 |
B1 |
694 |
569 |
0.820 |
108 |
570 |
|
|
12 |
B2 |
3408 |
3124 |
0.917 |
108 |
571 |
|
|
13 |
B2 |
1187 |
1043 |
0.878 |
108 |
572 |
|
|
14 |
B2 |
1160 |
1011 |
0.872 |
108 |
573 |
|
|
15 |
B2 |
869 |
769 |
0.885 |
108 |
574 |
CH3NH2 |
methyl amine |
1 |
A' |
3723 |
3361 |
0.903 |
109 |
575 |
|
|
2 |
A' |
3191 |
2961 |
0.928 |
109 |
576 |
|
|
3 |
A' |
3115 |
2820 |
0.905 |
109 |
577 |
|
|
4 |
A' |
1796 |
1623 |
0.904 |
109 |
578 |
|
|
5 |
A' |
1617 |
1473 |
0.911 |
109 |
579 |
|
|
6 |
A' |
1581 |
1430 |
0.905 |
109 |
580 |
|
|
7 |
A' |
1270 |
1130 |
0.890 |
109 |
581 |
|
|
8 |
A' |
1134 |
1044 |
0.921 |
109 |
582 |
|
|
9 |
A' |
915 |
780 |
0.853 |
109 |
583 |
|
|
10 |
A" |
3800 |
3427 |
0.902 |
109 |
584 |
|
|
11 |
A" |
3222 |
2985 |
0.926 |
109 |
585 |
|
|
12 |
A" |
1635 |
1485 |
0.908 |
109 |
586 |
|
|
13 |
A" |
1459 |
1335 |
0.915 |
109 |
587 |
|
|
14 |
A" |
1042 |
|
|
109 |
588 |
|
|
15 |
A" |
320 |
268 |
0.837 |
109 |
589 |
C3H3N |
acrylonitrile |
1 |
A' |
3393 |
3125 |
0.921 |
110 |
590 |
|
|
2 |
A' |
3345 |
3078 |
0.920 |
110 |
591 |
|
|
3 |
A' |
3302 |
3042 |
0.921 |
110 |
592 |
|
|
4 |
A' |
2582 |
2239 |
0.867 |
110 |
593 |
|
|
5 |
A' |
1823 |
1615 |
0.886 |
110 |
594 |
|
|
6 |
A' |
1559 |
1416 |
0.908 |
110 |
595 |
|
|
7 |
A' |
1424 |
1282 |
0.900 |
110 |
596 |
|
|
8 |
A' |
1194 |
1096 |
0.918 |
110 |
597 |
|
|
9 |
A' |
922 |
869 |
0.942 |
110 |
598 |
|
|
10 |
A' |
631 |
570 |
0.903 |
110 |
599 |
|
|
11 |
A' |
263 |
242 |
0.920 |
110 |
600 |
|
|
12 |
A" |
1132 |
972 |
0.859 |
110 |
601 |
|
|
13 |
A" |
1101 |
954 |
0.867 |
110 |
602 |
|
|
14 |
A" |
781 |
683 |
0.874 |
110 |
603 |
|
|
15 |
A" |
393 |
362 |
0.921 |
110 |
604 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3218 |
2935 |
0.912 |
111 |
605 |
|
|
2 |
A1 |
2614 |
2275 |
0.870 |
111 |
606 |
|
|
3 |
A1 |
1576 |
1395 |
0.885 |
111 |
607 |
|
|
4 |
A1 |
961 |
890 |
0.926 |
111 |
608 |
|
|
5 |
A1 |
638 |
582 |
0.913 |
111 |
609 |
|
|
6 |
A1 |
165 |
167 |
1.014 |
111 |
610 |
|
|
7 |
A2 |
1352 |
1220 |
0.902 |
111 |
611 |
|
|
8 |
A2 |
418 |
367 |
0.877 |
111 |
612 |
|
|
9 |
B1 |
3262 |
2968 |
0.910 |
111 |
613 |
|
|
10 |
B1 |
1035 |
933 |
0.901 |
111 |
614 |
|
|
11 |
B1 |
380 |
337 |
0.886 |
111 |
615 |
|
|
12 |
B2 |
2612 |
2275 |
0.871 |
111 |
616 |
|
|
13 |
B2 |
1470 |
1318 |
0.897 |
111 |
617 |
|
|
14 |
B2 |
1041 |
982 |
0.943 |
111 |
618 |
|
|
15 |
B2 |
419 |
366 |
0.873 |
111 |
619 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3270 |
3014 |
0.922 |
112 |
620 |
|
|
2 |
A' |
3160 |
2923 |
0.925 |
112 |
621 |
|
|
3 |
A' |
3075 |
2716 |
0.883 |
112 |
622 |
|
|
4 |
A' |
2002 |
1743 |
0.870 |
112 |
623 |
|
|
5 |
A' |
1578 |
1433 |
0.908 |
112 |
624 |
|
|
6 |
A' |
1544 |
1395 |
0.904 |
112 |
625 |
|
|
7 |
A' |
1509 |
1352 |
0.896 |
112 |
626 |
|
|
8 |
A' |
1222 |
1114 |
0.911 |
112 |
627 |
|
|
9 |
A' |
952 |
867 |
0.910 |
112 |
628 |
|
|
10 |
A' |
547 |
509 |
0.931 |
112 |
629 |
|
|
11 |
A" |
3212 |
2964 |
0.923 |
112 |
630 |
|
|
12 |
A" |
1591 |
1431 |
0.900 |
112 |
631 |
|
|
13 |
A" |
1256 |
1102 |
0.877 |
112 |
632 |
|
|
14 |
A" |
850 |
764 |
0.899 |
112 |
633 |
|
|
15 |
A" |
168 |
150 |
0.892 |
112 |
634 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3252 |
3006 |
0.924 |
113 |
635 |
|
|
2 |
A1 |
1679 |
1467 |
0.874 |
113 |
636 |
|
|
3 |
A1 |
1415 |
1267 |
0.895 |
113 |
637 |
|
|
4 |
A1 |
1291 |
1146 |
0.888 |
113 |
638 |
|
|
5 |
A1 |
979 |
857 |
0.875 |
113 |
639 |
|
|
6 |
A2 |
3321 |
3063 |
0.922 |
113 |
640 |
|
|
7 |
A2 |
1275 |
1050 |
0.824 |
113 |
641 |
|
|
8 |
A2 |
1150 |
1020 |
0.887 |
113 |
642 |
|
|
9 |
B1 |
3338 |
3065 |
0.918 |
113 |
643 |
|
|
10 |
B1 |
1283 |
1146 |
0.893 |
113 |
644 |
|
|
11 |
B1 |
877 |
797 |
0.909 |
113 |
645 |
|
|
12 |
B2 |
3240 |
3006 |
0.928 |
113 |
646 |
|
|
13 |
B2 |
1629 |
1459 |
0.896 |
113 |
647 |
|
|
14 |
B2 |
1292 |
1159 |
0.897 |
113 |
648 |
|
|
15 |
B2 |
967 |
824 |
0.852 |
113 |
649 |
CH3ONO |
Methyl nitrite |
1 |
A' |
3303 |
3037 |
0.919 |
114 |
650 |
|
|
2 |
A' |
3199 |
2950 |
0.922 |
114 |
651 |
|
|
3 |
A' |
1931 |
1613 |
0.836 |
114 |
652 |
|
|
4 |
A' |
1621 |
1454 |
0.897 |
114 |
653 |
|
|
5 |
A' |
1592 |
1408 |
0.885 |
114 |
654 |
|
|
6 |
A' |
1329 |
1239 |
0.932 |
114 |
655 |
|
|
7 |
A' |
1203 |
991 |
0.823 |
114 |
656 |
|
|
8 |
A' |
998 |
838 |
0.840 |
114 |
657 |
|
|
9 |
A' |
878 |
627 |
0.714 |
114 |
658 |
|
|
10 |
A' |
393 |
346 |
0.880 |
114 |
659 |
|
|
11 |
A" |
3274 |
2991 |
0.913 |
114 |
660 |
|
|
12 |
A" |
1609 |
1438 |
0.894 |
114 |
661 |
|
|
13 |
A" |
1278 |
1143 |
0.894 |
114 |
662 |
|
|
14 |
A" |
361 |
|
|
114 |
663 |
|
|
15 |
A" |
242 |
186 |
0.768 |
114 |
664 |
C2H4S |
Thiirane |
1 |
A1 |
3279 |
3014 |
0.919 |
115 |
665 |
|
|
2 |
A1 |
1624 |
1457 |
0.897 |
115 |
666 |
|
|
5 |
A1 |
665 |
627 |
0.943 |
115 |
667 |
|
|
11 |
B1 |
893 |
824 |
0.923 |
115 |
668 |
|
|
12 |
B2 |
3273 |
3013 |
0.921 |
115 |
669 |
|
|
14 |
B2 |
1199 |
1051 |
0.876 |
115 |
670 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3301 |
3043 |
0.922 |
116 |
671 |
|
|
2 |
A' |
3189 |
2955 |
0.927 |
116 |
672 |
|
|
3 |
A' |
2086 |
1870 |
0.896 |
116 |
673 |
|
|
4 |
A' |
1584 |
1440 |
0.909 |
116 |
674 |
|
|
5 |
A' |
1539 |
1378 |
0.896 |
116 |
675 |
|
|
6 |
A' |
1344 |
1188 |
0.884 |
116 |
676 |
|
|
7 |
A' |
1107 |
1000 |
0.903 |
116 |
677 |
|
|
8 |
A' |
932 |
826 |
0.886 |
116 |
678 |
|
|
9 |
A' |
661 |
598 |
0.904 |
116 |
679 |
|
|
10 |
A' |
447 |
420 |
0.940 |
116 |
680 |
|
|
11 |
A" |
3251 |
3004 |
0.924 |
116 |
681 |
|
|
12 |
A" |
1595 |
1437 |
0.901 |
116 |
682 |
|
|
13 |
A" |
1177 |
1054 |
0.896 |
116 |
683 |
|
|
14 |
A" |
635 |
567 |
0.893 |
116 |
684 |
|
|
15 |
A" |
145 |
123 |
0.847 |
116 |
685 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
894 |
774 |
0.865 |
117 |
686 |
|
|
2 |
Eg |
727 |
642 |
0.883 |
117 |
687 |
|
|
3 |
T1u |
1079 |
948 |
0.878 |
117 |
688 |
|
|
4 |
T1u |
688 |
616 |
0.894 |
117 |
689 |
|
|
5 |
T2g |
586 |
525 |
0.897 |
117 |
690 |
|
|
6 |
T2u |
391 |
347 |
0.887 |
117 |
691 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3287 |
3027 |
0.921 |
118 |
692 |
|
|
2 |
A' |
3190 |
2948 |
0.924 |
118 |
693 |
|
|
3 |
A' |
2048 |
1818 |
0.887 |
118 |
694 |
|
|
4 |
A' |
1581 |
1415 |
0.895 |
118 |
695 |
|
|
5 |
A' |
1524 |
1368 |
0.897 |
118 |
696 |
|
|
6 |
A' |
1215 |
1108 |
0.912 |
118 |
697 |
|
|
7 |
A' |
1037 |
956 |
0.922 |
118 |
698 |
|
|
8 |
A' |
657 |
604 |
0.919 |
118 |
699 |
|
|
9 |
A' |
494 |
445 |
0.901 |
118 |
700 |
|
|
10 |
A' |
367 |
348 |
0.947 |
118 |
701 |
|
|
11 |
A" |
3261 |
2990 |
0.917 |
118 |
702 |
|
|
12 |
A" |
1589 |
1431 |
0.900 |
118 |
703 |
|
|
13 |
A" |
1147 |
1032 |
0.900 |
118 |
704 |
|
|
14 |
A" |
573 |
518 |
0.904 |
118 |
705 |
|
|
15 |
A" |
156 |
166 |
1.068 |
118 |
706 |
C2H6 |
Ethane |
1 |
A1g |
3157 |
2954 |
0.936 |
119 |
707 |
|
|
2 |
A1g |
1548 |
1388 |
0.896 |
119 |
708 |
|
|
3 |
A1g |
1049 |
995 |
0.948 |
119 |
709 |
|
|
4 |
A1u |
329 |
289 |
0.878 |
119 |
710 |
|
|
5 |
A2u |
3151 |
2896 |
0.919 |
119 |
711 |
|
|
6 |
A2u |
1522 |
1379 |
0.906 |
119 |
712 |
|
|
7 |
Eg |
3193 |
2969 |
0.930 |
119 |
713 |
|
|
8 |
Eg |
1614 |
1468 |
0.909 |
119 |
714 |
|
|
9 |
Eg |
1323 |
1190 |
0.899 |
119 |
715 |
|
|
10 |
Eu |
3221 |
2985 |
0.927 |
119 |
716 |
|
|
11 |
Eu |
1619 |
1469 |
0.907 |
119 |
717 |
|
|
12 |
Eu |
881 |
822 |
0.933 |
119 |
718 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3152 |
2898 |
0.920 |
120 |
719 |
|
|
2 |
A1 |
2308 |
2166 |
0.939 |
120 |
720 |
|
|
3 |
A1 |
1409 |
1260 |
0.894 |
120 |
721 |
|
|
4 |
A1 |
1032 |
940 |
0.910 |
120 |
722 |
|
|
5 |
A1 |
724 |
700 |
0.966 |
120 |
723 |
|
|
6 |
A2 |
210 |
187 |
0.891 |
120 |
724 |
|
|
7 |
E |
3221 |
2982 |
0.926 |
120 |
725 |
|
|
8 |
E |
2290 |
2169 |
0.947 |
120 |
726 |
|
|
9 |
E |
1575 |
1403 |
0.891 |
120 |
727 |
|
|
10 |
E |
1037 |
980 |
0.945 |
120 |
728 |
|
|
11 |
E |
951 |
868 |
0.912 |
120 |
729 |
|
|
12 |
E |
557 |
540 |
0.969 |
120 |
730 |
Si2H6 |
disilane |
1 |
A1g |
2310 |
2152 |
0.932 |
121 |
731 |
|
|
2 |
A1g |
1022 |
909 |
0.889 |
121 |
732 |
|
|
3 |
A1g |
443 |
434 |
0.981 |
121 |
733 |
|
|
4 |
A1u |
135 |
131 |
0.970 |
121 |
734 |
|
|
5 |
A2u |
2295 |
2154 |
0.939 |
121 |
735 |
|
|
6 |
A2u |
941 |
844 |
0.897 |
121 |
736 |
|
|
7 |
Eg |
2291 |
2155 |
0.941 |
121 |
737 |
|
|
8 |
Eg |
1019 |
929 |
0.912 |
121 |
738 |
|
|
9 |
Eg |
689 |
625 |
0.908 |
121 |
739 |
|
|
10 |
Eu |
2301 |
2179 |
0.947 |
121 |
740 |
|
|
11 |
Eu |
1034 |
940 |
0.909 |
121 |
741 |
|
|
12 |
Eu |
401 |
379 |
0.945 |
121 |
742 |
C2H5N |
Aziridine |
1 |
A' |
3768 |
3338 |
0.886 |
122 |
743 |
|
|
2 |
A' |
3341 |
3079 |
0.922 |
122 |
744 |
|
|
3 |
A' |
3258 |
3015 |
0.925 |
122 |
745 |
|
|
4 |
A' |
1659 |
1482 |
0.893 |
122 |
746 |
|
|
5 |
A' |
1393 |
1237 |
0.888 |
122 |
747 |
|
|
6 |
A' |
1351 |
1211 |
0.896 |
122 |
748 |
|
|
7 |
A' |
1236 |
1090 |
0.882 |
122 |
749 |
|
|
8 |
A' |
1082 |
998 |
0.922 |
122 |
750 |
|
|
9 |
A' |
954 |
856 |
0.898 |
122 |
751 |
|
|
10 |
A' |
842 |
773 |
0.918 |
122 |
752 |
|
|
11 |
A" |
3325 |
3079 |
0.926 |
122 |
753 |
|
|
12 |
A" |
3248 |
3015 |
0.928 |
122 |
754 |
|
|
13 |
A" |
1618 |
1463 |
0.904 |
122 |
755 |
|
|
14 |
A" |
1381 |
1268 |
0.918 |
122 |
756 |
|
|
15 |
A" |
1258 |
1131 |
0.899 |
122 |
757 |
|
|
16 |
A" |
1244 |
1095 |
0.880 |
122 |
758 |
|
|
17 |
A" |
1000 |
904 |
0.904 |
122 |
759 |
|
|
18 |
A" |
960 |
817 |
0.851 |
122 |
760 |
CH3COOH |
Acetic acid |
1 |
A' |
4103 |
3583 |
0.873 |
123 |
761 |
|
|
2 |
A' |
3296 |
3051 |
0.926 |
123 |
762 |
|
|
3 |
A' |
3188 |
2944 |
0.924 |
123 |
763 |
|
|
4 |
A' |
2004 |
1788 |
0.892 |
123 |
764 |
|
|
5 |
A' |
1586 |
1430 |
0.901 |
123 |
765 |
|
|
6 |
A' |
1548 |
1382 |
0.893 |
123 |
766 |
|
|
7 |
A' |
1460 |
1264 |
0.866 |
123 |
767 |
|
|
8 |
A' |
1334 |
1182 |
0.886 |
123 |
768 |
|
|
9 |
A' |
1100 |
989 |
0.899 |
123 |
769 |
|
|
10 |
A' |
930 |
847 |
0.911 |
123 |
770 |
|
|
11 |
A' |
640 |
657 |
1.027 |
123 |
771 |
|
|
12 |
A' |
453 |
|
|
123 |
772 |
|
|
13 |
A" |
3247 |
2996 |
0.923 |
123 |
773 |
|
|
14 |
A" |
1596 |
1430 |
0.896 |
123 |
774 |
|
|
15 |
A" |
1174 |
1048 |
0.893 |
123 |
775 |
|
|
16 |
A" |
712 |
642 |
0.902 |
123 |
776 |
|
|
17 |
A" |
584 |
534 |
0.914 |
123 |
777 |
|
|
18 |
A" |
101 |
93 |
0.923 |
123 |
778 |
CH3OCHO |
methyl formate |
1 |
A' |
3295 |
3045 |
0.924 |
124 |
779 |
|
|
2 |
A' |
3228 |
2969 |
0.920 |
124 |
780 |
|
|
3 |
A' |
3199 |
2943 |
0.920 |
124 |
781 |
|
|
4 |
A' |
1976 |
1754 |
0.888 |
124 |
782 |
|
|
5 |
A' |
1623 |
1454 |
0.896 |
124 |
783 |
|
|
6 |
A' |
1606 |
1445 |
0.900 |
124 |
784 |
|
|
7 |
A' |
1533 |
1371 |
0.894 |
124 |
785 |
|
|
8 |
A' |
1377 |
1207 |
0.877 |
124 |
786 |
|
|
9 |
A' |
1310 |
1166 |
0.890 |
124 |
787 |
|
|
10 |
A' |
1028 |
925 |
0.900 |
124 |
788 |
|
|
11 |
A' |
849 |
767 |
0.903 |
124 |
789 |
|
|
12 |
A' |
324 |
318 |
0.980 |
124 |
790 |
|
|
13 |
A" |
3273 |
3012 |
0.920 |
124 |
791 |
|
|
14 |
A" |
1613 |
1443 |
0.895 |
124 |
792 |
|
|
15 |
A" |
1290 |
1168 |
0.906 |
124 |
793 |
|
|
16 |
A" |
1189 |
1032 |
0.868 |
124 |
794 |
|
|
17 |
A" |
343 |
332 |
0.969 |
124 |
795 |
|
|
18 |
A" |
160 |
130 |
0.815 |
124 |
796 |
C3H3NO |
Isoxazole |
1 |
A' |
3435 |
3160 |
0.920 |
125 |
797 |
|
|
2 |
A' |
3409 |
3128 |
0.918 |
125 |
798 |
|
|
3 |
A' |
3389 |
3086 |
0.910 |
125 |
799 |
|
|
4 |
A' |
1778 |
1561 |
0.878 |
125 |
800 |
|
|
5 |
A' |
1619 |
1433 |
0.885 |
125 |
801 |
|
|
6 |
A' |
1531 |
1371 |
0.895 |
125 |
802 |
|
|
7 |
A' |
1376 |
1218 |
0.886 |
125 |
803 |
|
|
8 |
A' |
1267 |
1130 |
0.892 |
125 |
804 |
|
|
9 |
A' |
1215 |
1096 |
0.902 |
125 |
805 |
|
|
10 |
A' |
1103 |
1024 |
0.928 |
125 |
806 |
|
|
11 |
A' |
1038 |
920 |
0.886 |
125 |
807 |
|
|
12 |
A' |
1007 |
900 |
0.894 |
125 |
808 |
|
|
13 |
A' |
997 |
857 |
0.860 |
125 |
809 |
|
|
14 |
A" |
1050 |
890 |
0.847 |
125 |
810 |
|
|
15 |
A" |
1031 |
866 |
0.840 |
125 |
811 |
|
|
16 |
A" |
870 |
765 |
0.879 |
125 |
812 |
|
|
17 |
A" |
704 |
631 |
0.896 |
125 |
813 |
|
|
18 |
A" |
647 |
592 |
0.914 |
125 |
814 |
CH3NO3 |
Methyl nitrate |
1 |
A' |
3315 |
3008 |
0.907 |
126 |
815 |
|
|
2 |
A' |
3217 |
2941 |
0.914 |
126 |
816 |
|
|
3 |
A' |
1870 |
1678 |
0.897 |
126 |
817 |
|
|
4 |
A' |
1629 |
1468 |
0.901 |
126 |
818 |
|
|
5 |
A' |
1617 |
1430 |
0.884 |
126 |
819 |
|
|
6 |
A' |
1536 |
1287 |
0.838 |
126 |
820 |
|
|
7 |
A' |
1326 |
1176 |
0.887 |
126 |
821 |
|
|
8 |
A' |
1204 |
1017 |
0.845 |
126 |
822 |
|
|
9 |
A' |
1055 |
854 |
0.809 |
126 |
823 |
|
|
10 |
A' |
796 |
657 |
0.826 |
126 |
824 |
|
|
11 |
A' |
672 |
578 |
0.860 |
126 |
825 |
|
|
12 |
A' |
383 |
340 |
0.889 |
126 |
826 |
|
|
13 |
A" |
3307 |
3008 |
0.910 |
126 |
827 |
|
|
14 |
A" |
1606 |
1455 |
0.906 |
126 |
828 |
|
|
15 |
A" |
1285 |
1136 |
0.884 |
126 |
829 |
|
|
16 |
A" |
931 |
758 |
0.815 |
126 |
830 |
|
|
17 |
A" |
241 |
|
|
126 |
831 |
|
|
18 |
A" |
143 |
|
|
126 |
832 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
1 |
A' |
3264 |
3015 |
0.924 |
127 |
833 |
|
|
2 |
A' |
3236 |
2975 |
0.919 |
127 |
834 |
|
|
3 |
A' |
3182 |
2964 |
0.932 |
127 |
835 |
|
|
4 |
A' |
1602 |
1457 |
0.910 |
127 |
836 |
|
|
5 |
A' |
1578 |
1413 |
0.896 |
127 |
837 |
|
|
6 |
A' |
1516 |
1357 |
0.895 |
127 |
838 |
|
|
7 |
A' |
1274 |
1171 |
0.919 |
127 |
839 |
|
|
8 |
A' |
1240 |
1140 |
0.919 |
127 |
840 |
|
|
9 |
A' |
938 |
868 |
0.926 |
127 |
841 |
|
|
10 |
A' |
622 |
569 |
0.915 |
127 |
842 |
|
|
11 |
A' |
508 |
468 |
0.921 |
127 |
843 |
|
|
12 |
A" |
3255 |
|
|
127 |
844 |
|
|
13 |
A" |
1604 |
|
|
127 |
845 |
|
|
14 |
A" |
1527 |
1362 |
0.892 |
127 |
846 |
|
|
15 |
A" |
1275 |
1135 |
0.890 |
127 |
847 |
|
|
16 |
A" |
1055 |
942 |
0.893 |
127 |
848 |
|
|
17 |
A" |
411 |
|
|
127 |
849 |
|
|
18 |
A" |
252 |
|
|
127 |
850 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3200 |
2974 |
0.929 |
128 |
851 |
|
|
2 |
A1 |
1575 |
1412 |
0.897 |
128 |
852 |
|
|
3 |
A1 |
1411 |
1278 |
0.906 |
128 |
853 |
|
|
4 |
A1 |
910 |
828 |
0.910 |
128 |
854 |
|
|
5 |
A1 |
653 |
606 |
0.929 |
128 |
855 |
|
|
6 |
A2 |
247 |
225 |
0.910 |
128 |
856 |
|
|
7 |
E |
3281 |
3042 |
0.927 |
128 |
857 |
|
|
8 |
E |
1601 |
1450 |
0.906 |
128 |
858 |
|
|
9 |
E |
1384 |
1230 |
0.889 |
128 |
859 |
|
|
10 |
E |
1081 |
964 |
0.892 |
128 |
860 |
|
|
11 |
E |
594 |
540 |
0.909 |
128 |
861 |
|
|
12 |
E |
395 |
365 |
0.924 |
128 |
862 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1597 |
1420 |
0.889 |
129 |
863 |
|
|
2 |
A1g |
895 |
809 |
0.904 |
129 |
864 |
|
|
3 |
A1g |
379 |
349 |
0.921 |
129 |
865 |
|
|
4 |
A1u |
76 |
68 |
0.901 |
129 |
866 |
|
|
5 |
A2u |
1237 |
1117 |
0.903 |
129 |
867 |
|
|
6 |
A2u |
788 |
714 |
0.906 |
129 |
868 |
|
|
7 |
Eg |
1409 |
1237 |
0.878 |
129 |
869 |
|
|
8 |
Eg |
682 |
620 |
0.909 |
129 |
870 |
|
|
9 |
Eg |
420 |
380 |
0.905 |
129 |
871 |
|
|
10 |
Eu |
1415 |
1251 |
0.884 |
129 |
872 |
|
|
11 |
Eu |
575 |
523 |
0.908 |
129 |
873 |
|
|
12 |
Eu |
235 |
216 |
0.921 |
129 |
874 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3195 |
2951 |
0.924 |
130 |
875 |
|
|
2 |
A1 |
1546 |
1386 |
0.896 |
130 |
876 |
|
|
3 |
A1 |
1159 |
1075 |
0.927 |
130 |
877 |
|
|
4 |
A1 |
565 |
526 |
0.932 |
130 |
878 |
|
|
5 |
A1 |
374 |
344 |
0.921 |
130 |
879 |
|
|
6 |
A2 |
322 |
214 |
0.665 |
130 |
880 |
|
|
7 |
E |
3277 |
3014 |
0.920 |
130 |
881 |
|
|
8 |
E |
1601 |
1457 |
0.910 |
130 |
882 |
|
|
9 |
E |
1207 |
1088 |
0.902 |
130 |
883 |
|
|
10 |
E |
808 |
724 |
0.896 |
130 |
884 |
|
|
11 |
E |
369 |
351 |
0.951 |
130 |
885 |
|
|
12 |
E |
261 |
239 |
0.915 |
130 |
886 |
C3H6 |
Cyclopropane |
1 |
A1' |
3275 |
3038 |
0.928 |
131 |
887 |
|
|
2 |
A1' |
1651 |
1479 |
0.896 |
131 |
888 |
|
|
3 |
A1' |
1283 |
1188 |
0.926 |
131 |
889 |
|
|
4 |
A1" |
1253 |
1126 |
0.899 |
131 |
890 |
|
|
5 |
A2' |
1212 |
1070 |
0.883 |
131 |
891 |
|
|
6 |
A2" |
3359 |
3103 |
0.924 |
131 |
892 |
|
|
7 |
A2" |
914 |
854 |
0.934 |
131 |
893 |
|
|
8 |
E' |
3261 |
3025 |
0.928 |
131 |
894 |
|
|
9 |
E' |
1592 |
1438 |
0.903 |
131 |
895 |
|
|
10 |
E' |
1169 |
1029 |
0.880 |
131 |
896 |
|
|
11 |
E' |
943 |
866 |
0.919 |
131 |
897 |
|
|
12 |
E" |
3335 |
3082 |
0.924 |
131 |
898 |
|
|
13 |
E" |
1313 |
1188 |
0.905 |
131 |
899 |
|
|
14 |
E" |
795 |
739 |
0.929 |
131 |
900 |
CH2CHCH3 |
Propene |
1 |
A' |
3352 |
3090 |
0.922 |
132 |
901 |
|
|
2 |
A' |
3281 |
3013 |
0.918 |
132 |
902 |
|
|
3 |
A' |
3268 |
2991 |
0.915 |
132 |
903 |
|
|
4 |
A' |
3225 |
2954 |
0.916 |
132 |
904 |
|
|
5 |
A' |
3151 |
2871 |
0.911 |
132 |
905 |
|
|
6 |
A' |
1846 |
1650 |
0.894 |
132 |
906 |
|
|
7 |
A' |
1610 |
1470 |
0.913 |
132 |
907 |
|
|
8 |
A' |
1570 |
1420 |
0.905 |
132 |
908 |
|
|
9 |
A' |
1529 |
1378 |
0.901 |
132 |
909 |
|
|
10 |
A' |
1429 |
1297 |
0.908 |
132 |
910 |
|
|
11 |
A' |
1285 |
1171 |
0.911 |
132 |
911 |
|
|
12 |
A' |
1020 |
963 |
0.944 |
132 |
912 |
|
|
13 |
A' |
974 |
920 |
0.944 |
132 |
913 |
|
|
14 |
A' |
455 |
428 |
0.942 |
132 |
914 |
|
|
15 |
A" |
3193 |
2954 |
0.925 |
132 |
915 |
|
|
16 |
A" |
1597 |
1443 |
0.904 |
132 |
916 |
|
|
17 |
A" |
1179 |
1045 |
0.886 |
132 |
917 |
|
|
18 |
A" |
1117 |
991 |
0.887 |
132 |
918 |
|
|
19 |
A" |
1064 |
912 |
0.857 |
132 |
919 |
|
|
20 |
A" |
642 |
578 |
0.900 |
132 |
920 |
|
|
21 |
A" |
219 |
174 |
0.796 |
132 |
921 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3914 |
3523 |
0.900 |
133 |
922 |
|
|
2 |
A' |
3419 |
3155 |
0.923 |
133 |
923 |
|
|
3 |
A' |
3397 |
3137 |
0.923 |
133 |
924 |
|
|
4 |
A' |
3383 |
3126 |
0.924 |
133 |
925 |
|
|
5 |
A' |
1728 |
1531 |
0.886 |
133 |
926 |
|
|
6 |
A' |
1620 |
1447 |
0.893 |
133 |
927 |
|
|
7 |
A' |
1533 |
1395 |
0.910 |
133 |
928 |
|
|
8 |
A' |
1530 |
1358 |
0.888 |
133 |
929 |
|
|
9 |
A' |
1398 |
1254 |
0.897 |
133 |
930 |
|
|
10 |
A' |
1272 |
1159 |
0.911 |
133 |
931 |
|
|
11 |
A' |
1220 |
1121 |
0.919 |
133 |
932 |
|
|
12 |
A' |
1133 |
1054 |
0.930 |
133 |
933 |
|
|
13 |
A' |
1118 |
1009 |
0.902 |
133 |
934 |
|
|
14 |
A' |
1016 |
924 |
0.909 |
133 |
935 |
|
|
15 |
A' |
997 |
908 |
0.911 |
133 |
936 |
|
|
16 |
A" |
1026 |
879 |
0.857 |
133 |
937 |
|
|
17 |
A" |
987 |
833 |
0.844 |
133 |
938 |
|
|
18 |
A" |
851 |
745 |
0.875 |
133 |
939 |
|
|
19 |
A" |
748 |
674 |
0.901 |
133 |
940 |
|
|
20 |
A" |
687 |
623 |
0.906 |
133 |
941 |
|
|
21 |
A" |
567 |
516 |
0.910 |
133 |
942 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3910 |
3517 |
0.899 |
134 |
943 |
|
|
2 |
A' |
3426 |
3143 |
0.917 |
134 |
944 |
|
|
3 |
A' |
3395 |
3123 |
0.920 |
134 |
945 |
|
|
4 |
A' |
3389 |
3110 |
0.918 |
134 |
946 |
|
|
5 |
A' |
1723 |
1448 |
0.841 |
134 |
947 |
|
|
6 |
A' |
1646 |
1404 |
0.853 |
134 |
948 |
|
|
7 |
A' |
1569 |
1328 |
0.846 |
134 |
949 |
|
|
8 |
A' |
1484 |
1265 |
0.852 |
134 |
950 |
|
|
9 |
A' |
1403 |
1188 |
0.847 |
134 |
951 |
|
|
10 |
A' |
1245 |
1098 |
0.882 |
134 |
952 |
|
|
11 |
A' |
1219 |
1062 |
0.871 |
134 |
953 |
|
|
12 |
A' |
1175 |
1013 |
0.862 |
134 |
954 |
|
|
13 |
A' |
1145 |
988 |
0.863 |
134 |
955 |
|
|
14 |
A' |
1019 |
923 |
0.906 |
134 |
956 |
|
|
15 |
A' |
982 |
898 |
0.915 |
134 |
957 |
|
|
16 |
A" |
1009 |
831 |
0.823 |
134 |
958 |
|
|
17 |
A" |
980 |
758 |
0.774 |
134 |
959 |
|
|
18 |
A" |
842 |
674 |
0.801 |
134 |
960 |
|
|
19 |
A" |
731 |
663 |
0.907 |
134 |
961 |
|
|
20 |
A" |
692 |
621 |
0.897 |
134 |
962 |
|
|
21 |
A" |
540 |
539 |
0.999 |
134 |
963 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3342 |
3042 |
0.910 |
135 |
964 |
|
|
2 |
A1' |
1250 |
1132 |
0.905 |
135 |
965 |
|
|
3 |
A1' |
1107 |
992 |
0.896 |
135 |
966 |
|
|
4 |
A2' |
1515 |
1278 |
0.844 |
135 |
967 |
|
|
5 |
A2' |
1148 |
1068 |
0.931 |
135 |
968 |
|
|
6 |
A2" |
1088 |
925 |
0.850 |
135 |
969 |
|
|
7 |
A2" |
797 |
737 |
0.925 |
135 |
970 |
|
|
8 |
E' |
3337 |
3056 |
0.916 |
135 |
971 |
|
|
9 |
E' |
1789 |
1555 |
0.869 |
135 |
972 |
|
|
10 |
E' |
1567 |
1410 |
0.900 |
135 |
973 |
|
|
11 |
E' |
1298 |
1176 |
0.906 |
135 |
974 |
|
|
12 |
E' |
750 |
657 |
0.876 |
135 |
975 |
|
|
13 |
E" |
1183 |
830 |
0.701 |
135 |
976 |
|
|
14 |
E" |
416 |
340 |
0.817 |
135 |
977 |
CH3CH2OH |
Ethanol |
1 |
A' |
4176 |
3653 |
0.875 |
136 |
978 |
|
|
2 |
A' |
3224 |
2984 |
0.926 |
136 |
979 |
|
|
3 |
A' |
3163 |
2939 |
0.929 |
136 |
980 |
|
|
4 |
A' |
3128 |
2900 |
0.927 |
136 |
981 |
|
|
5 |
A' |
1655 |
1490 |
0.901 |
136 |
982 |
|
|
6 |
A' |
1617 |
1464 |
0.905 |
136 |
983 |
|
|
7 |
A' |
1588 |
1412 |
0.889 |
136 |
984 |
|
|
8 |
A' |
1524 |
1371 |
0.900 |
136 |
985 |
|
|
9 |
A' |
1375 |
1256 |
0.913 |
136 |
986 |
|
|
10 |
A' |
1204 |
1091 |
0.906 |
136 |
987 |
|
|
11 |
A' |
1121 |
1028 |
0.917 |
136 |
988 |
|
|
12 |
A' |
967 |
888 |
0.918 |
136 |
989 |
|
|
13 |
A' |
447 |
417 |
0.932 |
136 |
990 |
|
|
14 |
A" |
3233 |
2991 |
0.925 |
136 |
991 |
|
|
15 |
A" |
3149 |
2910 |
0.924 |
136 |
992 |
|
|
16 |
A" |
1598 |
1446 |
0.905 |
136 |
993 |
|
|
17 |
A" |
1412 |
1275 |
0.903 |
136 |
994 |
|
|
18 |
A" |
1286 |
1161 |
0.903 |
136 |
995 |
|
|
19 |
A" |
878 |
812 |
0.925 |
136 |
996 |
|
|
20 |
A" |
299 |
251 |
0.841 |
136 |
997 |
|
|
21 |
A" |
263 |
200 |
0.761 |
136 |
998 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3247 |
2996 |
0.923 |
137 |
999 |
|
|
2 |
A1 |
3128 |
2817 |
0.901 |
137 |
1000 |
|
|
3 |
A1 |
1638 |
1464 |
0.894 |
137 |
1001 |
|
|
4 |
A1 |
1622 |
1452 |
0.895 |
137 |
1002 |
|
|
5 |
A1 |
1390 |
1244 |
0.895 |
137 |
1003 |
|
|
6 |
A1 |
1035 |
928 |
0.897 |
137 |
1004 |
|
|
7 |
A1 |
439 |
418 |
0.951 |
137 |
1005 |
|
|
8 |
A2 |
3159 |
2952 |
0.934 |
137 |
1006 |
|
|
9 |
A2 |
1608 |
1464 |
0.910 |
137 |
1007 |
|
|
10 |
A2 |
1268 |
1150 |
0.907 |
137 |
1008 |
|
|
11 |
A2 |
198 |
203 |
1.025 |
137 |
1009 |
|
|
12 |
B1 |
3161 |
2925 |
0.925 |
137 |
1010 |
|
|
13 |
B1 |
1620 |
1464 |
0.904 |
137 |
1011 |
|
|
14 |
B1 |
1304 |
1179 |
0.904 |
137 |
1012 |
|
|
15 |
B1 |
256 |
242 |
0.947 |
137 |
1013 |
|
|
16 |
B2 |
3244 |
2996 |
0.923 |
137 |
1014 |
|
|
17 |
B2 |
3112 |
2817 |
0.905 |
137 |
1015 |
|
|
18 |
B2 |
1620 |
1464 |
0.904 |
137 |
1016 |
|
|
19 |
B2 |
1586 |
1452 |
0.916 |
137 |
1017 |
|
|
20 |
B2 |
1336 |
1227 |
0.919 |
137 |
1018 |
|
|
21 |
B2 |
1220 |
1102 |
0.903 |
137 |
1019 |
C4H4O |
Furan |
1 |
A1 |
3433 |
3161 |
0.921 |
138 |
1020 |
|
|
2 |
A1 |
3402 |
3140 |
0.923 |
138 |
1021 |
|
|
3 |
A1 |
1662 |
1491 |
0.897 |
138 |
1022 |
|
|
4 |
A1 |
1535 |
1384 |
0.902 |
138 |
1023 |
|
|
5 |
A1 |
1256 |
1140 |
0.908 |
138 |
1024 |
|
|
6 |
A1 |
1152 |
1066 |
0.926 |
138 |
1025 |
|
|
7 |
A1 |
1078 |
995 |
0.923 |
138 |
1026 |
|
|
8 |
A1 |
953 |
871 |
0.914 |
138 |
1027 |
|
|
9 |
A2 |
1012 |
838 |
0.828 |
138 |
1028 |
|
|
10 |
A2 |
854 |
728 |
0.853 |
138 |
1029 |
|
|
11 |
A2 |
661 |
603 |
0.913 |
138 |
1030 |
|
|
12 |
B1 |
1000 |
863 |
0.863 |
138 |
1031 |
|
|
13 |
B1 |
858 |
745 |
0.868 |
138 |
1032 |
|
|
14 |
B1 |
659 |
613 |
0.930 |
138 |
1033 |
|
|
15 |
B2 |
3426 |
3154 |
0.921 |
138 |
1034 |
|
|
16 |
B2 |
3390 |
3129 |
0.923 |
138 |
1035 |
|
|
17 |
B2 |
1743 |
1556 |
0.893 |
138 |
1036 |
|
|
18 |
B2 |
1408 |
1267 |
0.900 |
138 |
1037 |
|
|
19 |
B2 |
1304 |
1180 |
0.905 |
138 |
1038 |
|
|
20 |
B2 |
1155 |
1040 |
0.900 |
138 |
1039 |
|
|
21 |
B2 |
959 |
873 |
0.910 |
138 |
1040 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3236 |
3001 |
0.927 |
139 |
1041 |
|
|
2 |
A' |
3227 |
2935 |
0.909 |
139 |
1042 |
|
|
3 |
A' |
2093 |
1882 |
0.899 |
139 |
1043 |
|
|
4 |
A' |
1656 |
1475 |
0.891 |
139 |
1044 |
|
|
5 |
A' |
1581 |
1427 |
0.902 |
139 |
1045 |
|
|
6 |
A' |
1497 |
1319 |
0.881 |
139 |
1046 |
|
|
7 |
A' |
1356 |
1199 |
0.884 |
139 |
1047 |
|
|
8 |
A' |
1252 |
1093 |
0.873 |
139 |
1048 |
|
|
9 |
A' |
1101 |
1005 |
0.913 |
139 |
1049 |
|
|
10 |
A' |
1074 |
924 |
0.860 |
139 |
1050 |
|
|
11 |
A' |
970 |
891 |
0.918 |
139 |
1051 |
|
|
12 |
A' |
829 |
746 |
0.900 |
139 |
1052 |
|
|
13 |
A' |
546 |
513 |
0.939 |
139 |
1053 |
|
|
14 |
A" |
3294 |
3028 |
0.919 |
139 |
1054 |
|
|
15 |
A" |
3277 |
3000 |
0.915 |
139 |
1055 |
|
|
16 |
A" |
1308 |
1184 |
0.905 |
139 |
1056 |
|
|
17 |
A" |
1271 |
1139 |
0.896 |
139 |
1057 |
|
|
18 |
A" |
1168 |
1046 |
0.895 |
139 |
1058 |
|
|
19 |
A" |
857 |
790 |
0.922 |
139 |
1059 |
|
|
20 |
A" |
573 |
490 |
0.855 |
139 |
1060 |
|
|
21 |
A" |
191 |
113 |
0.590 |
139 |
1061 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3225 |
2966 |
0.920 |
140 |
1062 |
|
|
2 |
A' |
3198 |
2872 |
0.898 |
140 |
1063 |
|
|
3 |
A' |
3163 |
2872 |
0.908 |
140 |
1064 |
|
|
4 |
A' |
2852 |
2580 |
0.905 |
140 |
1065 |
|
|
5 |
A' |
1620 |
1453 |
0.897 |
140 |
1066 |
|
|
6 |
A' |
1613 |
1453 |
0.901 |
140 |
1067 |
|
|
7 |
A' |
1538 |
1385 |
0.901 |
140 |
1068 |
|
|
8 |
A' |
1424 |
1309 |
0.919 |
140 |
1069 |
|
|
9 |
A' |
1201 |
1097 |
0.913 |
140 |
1070 |
|
|
10 |
A' |
1054 |
978 |
0.928 |
140 |
1071 |
|
|
11 |
A' |
939 |
870 |
0.927 |
140 |
1072 |
|
|
12 |
A' |
721 |
660 |
0.915 |
140 |
1073 |
|
|
13 |
A' |
325 |
332 |
1.020 |
140 |
1074 |
|
|
14 |
A" |
3252 |
2966 |
0.912 |
140 |
1075 |
|
|
15 |
A" |
3221 |
2930 |
0.910 |
140 |
1076 |
|
|
16 |
A" |
1610 |
1453 |
0.902 |
140 |
1077 |
|
|
17 |
A" |
1375 |
1269 |
0.923 |
140 |
1078 |
|
|
18 |
A" |
1134 |
1049 |
0.925 |
140 |
1079 |
|
|
19 |
A" |
847 |
745 |
0.879 |
140 |
1080 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3258 |
2997 |
0.920 |
141 |
1081 |
|
|
2 |
A1 |
3169 |
2925 |
0.923 |
141 |
1082 |
|
|
3 |
A1 |
1606 |
1447 |
0.901 |
141 |
1083 |
|
|
4 |
A1 |
1494 |
1337 |
0.895 |
141 |
1084 |
|
|
5 |
A1 |
1144 |
1030 |
0.900 |
141 |
1085 |
|
|
6 |
A1 |
743 |
695 |
0.935 |
141 |
1086 |
|
|
7 |
A1 |
284 |
280 |
0.987 |
141 |
1087 |
|
|
8 |
A2 |
3245 |
2970 |
0.915 |
141 |
1088 |
|
|
9 |
A2 |
1583 |
1427 |
0.902 |
141 |
1089 |
|
|
10 |
A2 |
1035 |
946 |
0.914 |
141 |
1090 |
|
|
11 |
A2 |
189 |
175 |
0.927 |
141 |
1091 |
|
|
12 |
B1 |
3240 |
2970 |
0.917 |
141 |
1092 |
|
|
13 |
B1 |
1592 |
1439 |
0.904 |
141 |
1093 |
|
|
14 |
B1 |
1071 |
973 |
0.909 |
141 |
1094 |
|
|
15 |
B1 |
200 |
183 |
0.915 |
141 |
1095 |
|
|
16 |
B2 |
3258 |
2999 |
0.920 |
141 |
1096 |
|
|
17 |
B2 |
3171 |
2919 |
0.921 |
141 |
1097 |
|
|
18 |
B2 |
1599 |
1442 |
0.902 |
141 |
1098 |
|
|
19 |
B2 |
1469 |
1315 |
0.895 |
141 |
1099 |
|
|
20 |
B2 |
989 |
903 |
0.913 |
141 |
1100 |
|
|
21 |
B2 |
807 |
742 |
0.919 |
141 |
1101 |
C4H4S |
Thiophene |
1 |
A1 |
3395 |
3126 |
0.921 |
142 |
1102 |
|
|
2 |
A1 |
3359 |
3098 |
0.922 |
142 |
1103 |
|
|
3 |
A1 |
1555 |
1409 |
0.906 |
142 |
1104 |
|
|
4 |
A1 |
1519 |
1360 |
0.896 |
142 |
1105 |
|
|
5 |
A1 |
1194 |
1083 |
0.907 |
142 |
1106 |
|
|
6 |
A1 |
1100 |
1036 |
0.942 |
142 |
1107 |
|
|
7 |
A1 |
886 |
872 |
0.984 |
142 |
1108 |
|
|
8 |
A1 |
655 |
608 |
0.928 |
142 |
1109 |
|
|
9 |
A2 |
1051 |
867 |
0.825 |
142 |
1110 |
|
|
10 |
A2 |
800 |
688 |
0.860 |
142 |
1111 |
|
|
11 |
A2 |
618 |
567 |
0.917 |
142 |
1112 |
|
|
12 |
B1 |
1027 |
839 |
0.817 |
142 |
1113 |
|
|
13 |
B1 |
809 |
712 |
0.880 |
142 |
1114 |
|
|
14 |
B1 |
490 |
452 |
0.922 |
142 |
1115 |
|
|
15 |
B2 |
3392 |
3125 |
0.921 |
142 |
1116 |
|
|
16 |
B2 |
3344 |
3086 |
0.923 |
142 |
1117 |
|
|
17 |
B2 |
1707 |
1504 |
0.881 |
142 |
1118 |
|
|
18 |
B2 |
1402 |
1256 |
0.896 |
142 |
1119 |
|
|
19 |
B2 |
1198 |
1085 |
0.905 |
142 |
1120 |
|
|
20 |
B2 |
946 |
903 |
0.955 |
142 |
1121 |
|
|
21 |
B2 |
809 |
751 |
0.928 |
142 |
1122 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3364 |
3087 |
0.918 |
143 |
1123 |
|
|
2 |
Ag |
3294 |
3003 |
0.912 |
143 |
1124 |
|
|
3 |
Ag |
3276 |
2992 |
0.913 |
143 |
1125 |
|
|
4 |
Ag |
1864 |
1630 |
0.874 |
143 |
1126 |
|
|
5 |
Ag |
1592 |
1438 |
0.903 |
143 |
1127 |
|
|
6 |
Ag |
1419 |
1280 |
0.902 |
143 |
1128 |
|
|
7 |
Ag |
1313 |
1196 |
0.911 |
143 |
1129 |
|
|
8 |
Ag |
950 |
894 |
0.941 |
143 |
1130 |
|
|
9 |
Ag |
549 |
512 |
0.932 |
143 |
1131 |
|
|
10 |
Au |
1151 |
1013 |
0.880 |
143 |
1132 |
|
|
11 |
Au |
1068 |
908 |
0.850 |
143 |
1133 |
|
|
12 |
Au |
584 |
522 |
0.894 |
143 |
1134 |
|
|
13 |
Au |
172 |
162 |
0.941 |
143 |
1135 |
|
|
14 |
Bg |
1113 |
976 |
0.877 |
143 |
1136 |
|
|
15 |
Bg |
1062 |
912 |
0.859 |
143 |
1137 |
|
|
16 |
Bg |
853 |
770 |
0.903 |
143 |
1138 |
|
|
17 |
Bu |
3365 |
3101 |
0.922 |
143 |
1139 |
|
|
18 |
Bu |
3297 |
3055 |
0.927 |
143 |
1140 |
|
|
19 |
Bu |
3281 |
2984 |
0.910 |
143 |
1141 |
|
|
20 |
Bu |
1786 |
1596 |
0.893 |
143 |
1142 |
|
|
21 |
Bu |
1525 |
1381 |
0.905 |
143 |
1143 |
|
|
22 |
Bu |
1426 |
1294 |
0.908 |
143 |
1144 |
|
|
23 |
Bu |
1080 |
990 |
0.917 |
143 |
1145 |
|
|
24 |
Bu |
319 |
301 |
0.943 |
143 |
1146 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3171 |
2916 |
0.919 |
144 |
1147 |
|
|
2 |
A1' |
2540 |
2240 |
0.882 |
144 |
1148 |
|
|
3 |
A1' |
1540 |
1380 |
0.896 |
144 |
1149 |
|
|
4 |
A1' |
749 |
725 |
0.968 |
144 |
1150 |
|
|
6 |
A2" |
3171 |
2938 |
0.926 |
144 |
1151 |
|
|
7 |
A2" |
1535 |
1382 |
0.900 |
144 |
1152 |
|
|
8 |
A2" |
1204 |
1152 |
0.957 |
144 |
1153 |
|
|
9 |
E' |
3230 |
2973 |
0.920 |
144 |
1154 |
|
|
10 |
E' |
1599 |
1456 |
0.910 |
144 |
1155 |
|
|
11 |
E' |
1156 |
1054 |
0.911 |
144 |
1156 |
|
|
12 |
E' |
222 |
213 |
0.961 |
144 |
1157 |
|
|
13 |
E" |
3231 |
2966 |
0.918 |
144 |
1158 |
|
|
14 |
E" |
1600 |
1448 |
0.905 |
144 |
1159 |
|
|
15 |
E" |
1148 |
1029 |
0.896 |
144 |
1160 |
|
|
16 |
E" |
471 |
371 |
0.788 |
144 |
1161 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3282 |
3061 |
0.933 |
145 |
1162 |
|
|
2 |
A' |
3273 |
3010 |
0.920 |
145 |
1163 |
|
|
3 |
A' |
3244 |
2965 |
0.914 |
145 |
1164 |
|
|
4 |
A' |
3157 |
2905 |
0.920 |
145 |
1165 |
|
|
5 |
A' |
2193 |
1970 |
0.898 |
145 |
1166 |
|
|
6 |
A' |
1622 |
1453 |
0.896 |
145 |
1167 |
|
|
7 |
A' |
1595 |
1437 |
0.901 |
145 |
1168 |
|
|
8 |
A' |
1535 |
1389 |
0.905 |
145 |
1169 |
|
|
9 |
A' |
1471 |
1330 |
0.904 |
145 |
1170 |
|
|
10 |
A' |
1221 |
1132 |
0.927 |
145 |
1171 |
|
|
11 |
A' |
1184 |
1074 |
0.907 |
145 |
1172 |
|
|
12 |
A' |
1000 |
876 |
0.876 |
145 |
1173 |
|
|
13 |
A' |
931 |
859 |
0.922 |
145 |
1174 |
|
|
14 |
A' |
620 |
555 |
0.895 |
145 |
1175 |
|
|
15 |
A' |
232 |
210 |
0.904 |
145 |
1176 |
|
|
16 |
A" |
3348 |
3061 |
0.914 |
145 |
1177 |
|
|
17 |
A" |
3203 |
2965 |
0.926 |
145 |
1178 |
|
|
18 |
A" |
1600 |
1453 |
0.908 |
145 |
1179 |
|
|
19 |
A" |
1163 |
1110 |
0.954 |
145 |
1180 |
|
|
20 |
A" |
1115 |
1011 |
0.906 |
145 |
1181 |
|
|
21 |
A" |
979 |
842 |
0.860 |
145 |
1182 |
|
|
22 |
A" |
592 |
523 |
0.884 |
145 |
1183 |
|
|
23 |
A" |
377 |
322 |
0.854 |
145 |
1184 |
C4H6 |
Cyclobutene |
1 |
A1 |
3351 |
3060 |
0.913 |
146 |
1185 |
|
|
2 |
A1 |
3178 |
2935 |
0.924 |
146 |
1186 |
|
|
3 |
A1 |
1773 |
1570 |
0.886 |
146 |
1187 |
|
|
4 |
A1 |
1618 |
1450 |
0.896 |
146 |
1188 |
|
|
5 |
A1 |
1348 |
1276 |
0.947 |
146 |
1189 |
|
|
6 |
A1 |
1216 |
1186 |
0.975 |
146 |
1190 |
|
|
7 |
A1 |
1064 |
1113 |
1.046 |
146 |
1191 |
|
|
8 |
A1 |
952 |
886 |
0.931 |
146 |
1192 |
|
|
9 |
A2 |
3200 |
2955 |
0.923 |
146 |
1193 |
|
|
10 |
A2 |
1281 |
1276 |
0.996 |
146 |
1194 |
|
|
11 |
A2 |
1145 |
1081 |
0.944 |
146 |
1195 |
|
|
12 |
A2 |
1053 |
850 |
0.807 |
146 |
1196 |
|
|
13 |
A2 |
350 |
325 |
0.928 |
146 |
1197 |
|
|
14 |
B1 |
3218 |
2955 |
0.918 |
146 |
1198 |
|
|
15 |
B1 |
1198 |
1074 |
0.896 |
146 |
1199 |
|
|
16 |
B1 |
944 |
846 |
0.896 |
146 |
1200 |
|
|
17 |
B1 |
721 |
635 |
0.881 |
146 |
1201 |
|
|
18 |
B2 |
3317 |
3047 |
0.919 |
146 |
1202 |
|
|
19 |
B2 |
3168 |
2916 |
0.921 |
146 |
1203 |
|
|
20 |
B2 |
1593 |
1427 |
0.896 |
146 |
1204 |
|
|
21 |
B2 |
1447 |
1294 |
0.894 |
146 |
1205 |
|
|
22 |
B2 |
1359 |
1214 |
0.894 |
146 |
1206 |
|
|
23 |
B2 |
958 |
888 |
0.927 |
146 |
1207 |
|
|
24 |
B2 |
932 |
740 |
0.794 |
146 |
1208 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3274 |
3010 |
0.919 |
147 |
1209 |
|
|
2 |
A1 |
3253 |
3002 |
0.923 |
147 |
1210 |
|
|
3 |
A1 |
1971 |
1743 |
0.885 |
147 |
1211 |
|
|
4 |
A1 |
1611 |
1437 |
0.892 |
147 |
1212 |
|
|
5 |
A1 |
1561 |
1410 |
0.903 |
147 |
1213 |
|
|
6 |
A1 |
1158 |
1036 |
0.894 |
147 |
1214 |
|
|
7 |
A1 |
1126 |
1002 |
0.890 |
147 |
1215 |
|
|
8 |
A1 |
793 |
723 |
0.911 |
147 |
1216 |
|
|
9 |
A2 |
3321 |
3051 |
0.919 |
147 |
1217 |
|
|
10 |
A2 |
1270 |
1144 |
0.901 |
147 |
1218 |
|
|
11 |
A2 |
1037 |
937 |
0.903 |
147 |
1219 |
|
|
12 |
A2 |
669 |
616 |
0.920 |
147 |
1220 |
|
|
13 |
B1 |
3335 |
3071 |
0.921 |
147 |
1221 |
|
|
14 |
B1 |
1197 |
1072 |
0.896 |
147 |
1222 |
|
|
15 |
B1 |
1046 |
889 |
0.850 |
147 |
1223 |
|
|
16 |
B1 |
809 |
748 |
0.925 |
147 |
1224 |
|
|
17 |
B1 |
338 |
360 |
1.065 |
147 |
1225 |
|
|
18 |
B2 |
3352 |
3086 |
0.921 |
147 |
1226 |
|
|
19 |
B2 |
3248 |
2999 |
0.923 |
147 |
1227 |
|
|
20 |
B2 |
1571 |
1353 |
0.861 |
147 |
1228 |
|
|
21 |
B2 |
1240 |
1174 |
0.947 |
147 |
1229 |
|
|
22 |
B2 |
1196 |
1125 |
0.941 |
147 |
1230 |
|
|
23 |
B2 |
970 |
792 |
0.816 |
147 |
1231 |
|
|
24 |
B2 |
386 |
290 |
0.752 |
147 |
1232 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3712 |
3345 |
0.901 |
148 |
1233 |
|
|
2 |
A' |
3204 |
2985 |
0.932 |
148 |
1234 |
|
|
3 |
A' |
3164 |
2840 |
0.897 |
148 |
1235 |
|
|
4 |
A' |
3142 |
2860 |
0.910 |
148 |
1236 |
|
|
5 |
A' |
1794 |
1622 |
0.904 |
148 |
1237 |
|
|
6 |
A' |
1627 |
1487 |
0.914 |
148 |
1238 |
|
|
7 |
A' |
1605 |
1465 |
0.913 |
148 |
1239 |
|
|
8 |
A' |
1534 |
1378 |
0.898 |
148 |
1240 |
|
|
9 |
A' |
1500 |
1397 |
0.931 |
148 |
1241 |
|
|
10 |
A' |
1233 |
1016 |
0.824 |
148 |
1242 |
|
|
11 |
A' |
1144 |
1086 |
0.950 |
148 |
1243 |
|
|
12 |
A' |
956 |
892 |
0.933 |
148 |
1244 |
|
|
13 |
A' |
923 |
773 |
0.837 |
148 |
1245 |
|
|
14 |
A' |
430 |
403 |
0.937 |
148 |
1246 |
|
|
15 |
A" |
3790 |
3412 |
0.900 |
148 |
1247 |
|
|
16 |
A" |
3211 |
2924 |
0.911 |
148 |
1248 |
|
|
17 |
A" |
3180 |
2906 |
0.914 |
148 |
1249 |
|
|
18 |
A" |
1607 |
1455 |
0.905 |
148 |
1250 |
|
|
19 |
A" |
1498 |
1238 |
0.826 |
148 |
1251 |
|
|
20 |
A" |
1374 |
1293 |
0.941 |
148 |
1252 |
|
|
21 |
A" |
1078 |
1117 |
1.036 |
148 |
1253 |
|
|
22 |
A" |
834 |
816 |
0.979 |
148 |
1254 |
|
|
23 |
A" |
304 |
259 |
0.851 |
148 |
1255 |
|
|
24 |
A" |
264 |
218 |
0.827 |
148 |
1256 |
C4H5N |
Pyrrole |
1 |
A1 |
3915 |
3531 |
0.902 |
149 |
1257 |
|
|
2 |
A1 |
3406 |
3149 |
0.925 |
149 |
1258 |
|
|
3 |
A1 |
3383 |
3128 |
0.925 |
149 |
1259 |
|
|
4 |
A1 |
1630 |
1472 |
0.903 |
149 |
1260 |
|
|
5 |
A1 |
1526 |
1401 |
0.918 |
149 |
1261 |
|
|
6 |
A1 |
1253 |
1148 |
0.917 |
149 |
1262 |
|
|
7 |
A1 |
1147 |
1075 |
0.937 |
149 |
1263 |
|
|
8 |
A1 |
1098 |
1017 |
0.927 |
149 |
1264 |
|
|
9 |
A1 |
965 |
882 |
0.913 |
149 |
1265 |
|
|
10 |
A2 |
1002 |
864 |
0.862 |
149 |
1266 |
|
|
11 |
A2 |
815 |
692 |
0.850 |
149 |
1267 |
|
|
12 |
A2 |
676 |
614 |
0.908 |
149 |
1268 |
|
|
13 |
B1 |
978 |
827 |
0.846 |
149 |
1269 |
|
|
14 |
B1 |
829 |
722 |
0.871 |
149 |
1270 |
|
|
15 |
B1 |
684 |
621 |
0.908 |
149 |
1271 |
|
|
16 |
B1 |
502 |
475 |
0.945 |
149 |
1272 |
|
|
17 |
B2 |
3399 |
3143 |
0.925 |
149 |
1273 |
|
|
18 |
B2 |
3371 |
3119 |
0.925 |
149 |
1274 |
|
|
19 |
B2 |
1719 |
1519 |
0.883 |
149 |
1275 |
|
|
20 |
B2 |
1573 |
1424 |
0.906 |
149 |
1276 |
|
|
21 |
B2 |
1429 |
1288 |
0.902 |
149 |
1277 |
|
|
22 |
B2 |
1237 |
1134 |
0.917 |
149 |
1278 |
|
|
23 |
B2 |
1153 |
1049 |
0.910 |
149 |
1279 |
|
|
24 |
B2 |
944 |
866 |
0.917 |
149 |
1280 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3379 |
3120 |
0.923 |
150 |
1281 |
|
|
2 |
A' |
3331 |
3052 |
0.916 |
150 |
1282 |
|
|
3 |
A' |
3288 |
3044 |
0.926 |
150 |
1283 |
|
|
4 |
A' |
2583 |
2264 |
0.876 |
150 |
1284 |
|
|
5 |
A' |
1638 |
1468 |
0.896 |
150 |
1285 |
|
|
6 |
A' |
1499 |
1344 |
0.897 |
150 |
1286 |
|
|
7 |
A' |
1298 |
1195 |
0.921 |
150 |
1287 |
|
|
8 |
A' |
1228 |
1125 |
0.916 |
150 |
1288 |
|
|
9 |
A' |
1185 |
1049 |
0.885 |
150 |
1289 |
|
|
10 |
A' |
1016 |
941 |
0.927 |
150 |
1290 |
|
|
11 |
A' |
867 |
808 |
0.932 |
150 |
1291 |
|
|
12 |
A' |
801 |
736 |
0.918 |
150 |
1292 |
|
|
13 |
A' |
581 |
527 |
0.908 |
150 |
1293 |
|
|
14 |
A' |
235 |
222 |
0.946 |
150 |
1294 |
|
|
15 |
A" |
3363 |
3094 |
0.920 |
150 |
1295 |
|
|
16 |
A" |
3281 |
3040 |
0.927 |
150 |
1296 |
|
|
17 |
A" |
1593 |
1442 |
0.905 |
150 |
1297 |
|
|
18 |
A" |
1304 |
1180 |
0.905 |
150 |
1298 |
|
|
19 |
A" |
1232 |
1070 |
0.869 |
150 |
1299 |
|
|
20 |
A" |
1207 |
1088 |
0.902 |
150 |
1300 |
|
|
21 |
A" |
1007 |
880 |
0.874 |
150 |
1301 |
|
|
22 |
A" |
891 |
821 |
0.921 |
150 |
1302 |
|
|
23 |
A" |
610 |
543 |
0.890 |
150 |
1303 |
|
|
24 |
A" |
238 |
222 |
0.932 |
150 |
1304 |
C4H4N2 |
Succinonitrile |
1 |
Ag |
3212 |
2947 |
0.918 |
151 |
1305 |
|
|
2 |
Ag |
2596 |
2254 |
0.868 |
151 |
1306 |
|
|
3 |
Ag |
1597 |
1422 |
0.890 |
151 |
1307 |
|
|
4 |
Ag |
1523 |
1328 |
0.872 |
151 |
1308 |
|
|
5 |
Ag |
1100 |
1023 |
0.930 |
151 |
1309 |
|
|
6 |
Ag |
1026 |
809 |
0.788 |
151 |
1310 |
|
|
7 |
Ag |
559 |
508 |
0.909 |
151 |
1311 |
|
|
8 |
Ag |
247 |
187 |
0.756 |
151 |
1312 |
|
|
9 |
Au |
3269 |
2985 |
0.913 |
151 |
1313 |
|
|
10 |
Au |
1315 |
1197 |
0.911 |
151 |
1314 |
|
|
11 |
Au |
832 |
760 |
0.913 |
151 |
1315 |
|
|
12 |
Au |
444 |
357 |
0.803 |
151 |
1316 |
|
|
13 |
Au |
85 |
|
|
151 |
1317 |
|
|
14 |
Bg |
3248 |
2982 |
0.918 |
151 |
1318 |
|
|
15 |
Bg |
1427 |
1226 |
0.859 |
151 |
1319 |
|
|
16 |
Bg |
1138 |
951 |
0.835 |
151 |
1320 |
|
|
17 |
Bg |
405 |
387 |
0.956 |
151 |
1321 |
|
|
18 |
Bu |
3219 |
2965 |
0.921 |
151 |
1322 |
|
|
19 |
Bu |
2596 |
2255 |
0.869 |
151 |
1323 |
|
|
20 |
Bu |
1606 |
1425 |
0.887 |
151 |
1324 |
|
|
21 |
Bu |
1408 |
1270 |
0.902 |
151 |
1325 |
|
|
22 |
Bu |
968 |
917 |
0.948 |
151 |
1326 |
|
|
23 |
Bu |
584 |
526 |
0.901 |
151 |
1327 |
|
|
24 |
Bu |
144 |
|
|
151 |
1328 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3360 |
3063 |
0.912 |
152 |
1329 |
|
|
2 |
A1 |
3338 |
3043 |
0.912 |
152 |
1330 |
|
|
3 |
A1 |
1770 |
1572 |
0.888 |
152 |
1331 |
|
|
4 |
A1 |
1621 |
1414 |
0.872 |
152 |
1332 |
|
|
5 |
A1 |
1272 |
1283 |
1.008 |
152 |
1333 |
|
|
6 |
A1 |
1214 |
1160 |
0.955 |
152 |
1334 |
|
|
7 |
A1 |
1158 |
1063 |
0.918 |
152 |
1335 |
|
|
8 |
A1 |
1038 |
964 |
0.929 |
152 |
1336 |
|
|
9 |
A1 |
733 |
619 |
0.844 |
152 |
1337 |
|
|
10 |
A2 |
1140 |
936 |
0.821 |
152 |
1338 |
|
|
11 |
A2 |
1050 |
863 |
0.822 |
152 |
1339 |
|
|
12 |
A2 |
847 |
751 |
0.887 |
152 |
1340 |
|
|
13 |
A2 |
436 |
421 |
0.965 |
152 |
1341 |
|
|
14 |
B1 |
1096 |
|
|
152 |
1342 |
|
|
15 |
B1 |
849 |
760 |
0.895 |
152 |
1343 |
|
|
16 |
B1 |
447 |
370 |
0.828 |
152 |
1344 |
|
|
17 |
B2 |
3349 |
3075 |
0.918 |
152 |
1345 |
|
|
18 |
B2 |
3329 |
3043 |
0.914 |
152 |
1346 |
|
|
19 |
B2 |
1775 |
1565 |
0.882 |
152 |
1347 |
|
|
20 |
B2 |
1575 |
1444 |
0.917 |
152 |
1348 |
|
|
21 |
B2 |
1434 |
1239 |
0.864 |
152 |
1349 |
|
|
22 |
B2 |
1162 |
1052 |
0.906 |
152 |
1350 |
|
|
23 |
B2 |
1140 |
1009 |
0.885 |
152 |
1351 |
|
|
24 |
B2 |
682 |
664 |
0.974 |
152 |
1352 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3364 |
3082 |
0.916 |
153 |
1353 |
|
|
2 |
A1 |
3336 |
3053 |
0.915 |
153 |
1354 |
|
|
3 |
A1 |
3315 |
3049 |
0.920 |
153 |
1355 |
|
|
4 |
A1 |
1779 |
1572 |
0.884 |
153 |
1356 |
|
|
5 |
A1 |
1559 |
1465 |
0.940 |
153 |
1357 |
|
|
6 |
A1 |
1252 |
1155 |
0.923 |
153 |
1358 |
|
|
7 |
A1 |
1158 |
1065 |
0.920 |
153 |
1359 |
|
|
8 |
A1 |
1095 |
969 |
0.885 |
153 |
1360 |
|
|
9 |
A1 |
749 |
679 |
0.907 |
153 |
1361 |
|
|
10 |
A2 |
1133 |
960 |
0.848 |
153 |
1362 |
|
|
11 |
A2 |
461 |
398 |
0.864 |
153 |
1363 |
|
|
12 |
B1 |
1161 |
1033 |
0.890 |
153 |
1364 |
|
|
13 |
B1 |
1102 |
980 |
0.890 |
153 |
1365 |
|
|
14 |
B1 |
910 |
804 |
0.883 |
153 |
1366 |
|
|
15 |
B1 |
786 |
719 |
0.915 |
153 |
1367 |
|
|
16 |
B1 |
413 |
347 |
0.839 |
153 |
1368 |
|
|
17 |
B2 |
3320 |
3047 |
0.918 |
153 |
1369 |
|
|
18 |
B2 |
1779 |
1569 |
0.882 |
153 |
1370 |
|
|
19 |
B2 |
1628 |
1411 |
0.867 |
153 |
1371 |
|
|
20 |
B2 |
1509 |
1356 |
0.899 |
153 |
1372 |
|
|
21 |
B2 |
1347 |
1224 |
0.909 |
153 |
1373 |
|
|
22 |
B2 |
1197 |
1158 |
0.968 |
153 |
1374 |
|
|
23 |
B2 |
1138 |
1071 |
0.941 |
153 |
1375 |
|
|
24 |
B2 |
683 |
621 |
0.910 |
153 |
1376 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3346 |
3055 |
0.913 |
154 |
1377 |
|
|
2 |
Ag |
1788 |
1580 |
0.884 |
154 |
1378 |
|
|
3 |
Ag |
1349 |
1233 |
0.914 |
154 |
1379 |
|
|
4 |
Ag |
1122 |
1016 |
0.906 |
154 |
1380 |
|
|
5 |
Ag |
655 |
602 |
0.920 |
154 |
1381 |
|
|
6 |
Au |
1127 |
960 |
0.852 |
154 |
1382 |
|
|
7 |
Au |
425 |
350 |
0.824 |
154 |
1383 |
|
|
8 |
B1g |
1045 |
927 |
0.887 |
154 |
1384 |
|
|
9 |
B1u |
3322 |
3012 |
0.907 |
154 |
1385 |
|
|
10 |
B1u |
1658 |
1483 |
0.895 |
154 |
1386 |
|
|
11 |
B1u |
1252 |
1130 |
0.902 |
154 |
1387 |
|
|
12 |
B1u |
1118 |
1018 |
0.910 |
154 |
1388 |
|
|
13 |
B2g |
1104 |
983 |
0.891 |
154 |
1389 |
|
|
14 |
B2g |
842 |
756 |
0.897 |
154 |
1390 |
|
|
15 |
B2u |
3340 |
3069 |
0.919 |
154 |
1391 |
|
|
16 |
B2u |
1559 |
1411 |
0.905 |
154 |
1392 |
|
|
17 |
B2u |
1188 |
1149 |
0.967 |
154 |
1393 |
|
|
18 |
B2u |
1079 |
1063 |
0.985 |
154 |
1394 |
|
|
19 |
B3g |
3320 |
3040 |
0.916 |
154 |
1395 |
|
|
20 |
B3g |
1747 |
1525 |
0.873 |
154 |
1396 |
|
|
21 |
B3g |
1487 |
1346 |
0.905 |
154 |
1397 |
|
|
22 |
B3g |
774 |
704 |
0.909 |
154 |
1398 |
|
|
23 |
B3u |
896 |
785 |
0.876 |
154 |
1399 |
|
|
24 |
B3u |
489 |
418 |
0.854 |
154 |
1400 |
CH3COCH3 |
Acetone |
1 |
A1 |
3276 |
3019 |
0.922 |
155 |
1401 |
|
|
2 |
A1 |
3169 |
2937 |
0.927 |
155 |
1402 |
|
|
3 |
A1 |
1986 |
1731 |
0.872 |
155 |
1403 |
|
|
4 |
A1 |
1586 |
1435 |
0.905 |
155 |
1404 |
|
|
5 |
A1 |
1517 |
1364 |
0.899 |
155 |
1405 |
|
|
6 |
A1 |
1178 |
1066 |
0.905 |
155 |
1406 |
|
|
7 |
A1 |
839 |
777 |
0.926 |
155 |
1407 |
|
|
8 |
A1 |
401 |
385 |
0.960 |
155 |
1408 |
|
|
9 |
A2 |
3212 |
2963 |
0.922 |
155 |
1409 |
|
|
10 |
A2 |
1585 |
1426 |
0.899 |
155 |
1410 |
|
|
11 |
A2 |
966 |
877 |
0.908 |
155 |
1411 |
|
|
12 |
A2 |
43 |
77 |
1.793 |
155 |
1412 |
|
|
13 |
B1 |
3222 |
2972 |
0.923 |
155 |
1413 |
|
|
14 |
B1 |
1607 |
1454 |
0.905 |
155 |
1414 |
|
|
15 |
B1 |
1228 |
1091 |
0.888 |
155 |
1415 |
|
|
16 |
B1 |
533 |
484 |
0.909 |
155 |
1416 |
|
|
17 |
B1 |
149 |
125 |
0.840 |
155 |
1417 |
|
|
18 |
B2 |
3274 |
3019 |
0.922 |
155 |
1418 |
|
|
19 |
B2 |
3161 |
2937 |
0.929 |
155 |
1419 |
|
|
20 |
B2 |
1578 |
1410 |
0.894 |
155 |
1420 |
|
|
21 |
B2 |
1527 |
1364 |
0.893 |
155 |
1421 |
|
|
22 |
B2 |
1338 |
1216 |
0.909 |
155 |
1422 |
|
|
23 |
B2 |
968 |
891 |
0.920 |
155 |
1423 |
|
|
24 |
B2 |
577 |
530 |
0.919 |
155 |
1424 |
CH3CH2CHO |
Propanal |
1 |
A' |
3232 |
2981 |
0.922 |
156 |
1425 |
|
|
2 |
A' |
3173 |
2904 |
0.915 |
156 |
1426 |
|
|
3 |
A' |
3147 |
2895 |
0.920 |
156 |
1427 |
|
|
4 |
A' |
3070 |
2809 |
0.915 |
156 |
1428 |
|
|
5 |
A' |
1997 |
1743 |
0.873 |
156 |
1429 |
|
|
6 |
A' |
1616 |
1460 |
0.903 |
156 |
1430 |
|
|
7 |
A' |
1578 |
1416 |
0.897 |
156 |
1431 |
|
|
8 |
A' |
1548 |
1390 |
0.898 |
156 |
1432 |
|
|
9 |
A' |
1530 |
1376 |
0.900 |
156 |
1433 |
|
|
10 |
A' |
1499 |
1335 |
0.891 |
156 |
1434 |
|
|
11 |
A' |
1198 |
1093 |
0.913 |
156 |
1435 |
|
|
12 |
A' |
1071 |
993 |
0.927 |
156 |
1436 |
|
|
13 |
A' |
904 |
848 |
0.938 |
156 |
1437 |
|
|
14 |
A' |
720 |
668 |
0.928 |
156 |
1438 |
|
|
15 |
A' |
274 |
271 |
0.988 |
156 |
1439 |
|
|
16 |
A" |
3243 |
2992 |
0.923 |
156 |
1440 |
|
|
17 |
A" |
3166 |
2942 |
0.929 |
156 |
1441 |
|
|
18 |
A" |
1609 |
1451 |
0.902 |
156 |
1442 |
|
|
19 |
A" |
1394 |
1250 |
0.897 |
156 |
1443 |
|
|
20 |
A" |
1264 |
1118 |
0.884 |
156 |
1444 |
|
|
21 |
A" |
985 |
892 |
0.906 |
156 |
1445 |
|
|
22 |
A" |
732 |
660 |
0.902 |
156 |
1446 |
|
|
23 |
A" |
253 |
220 |
0.868 |
156 |
1447 |
|
|
24 |
A" |
148 |
135 |
0.915 |
156 |
1448 |
C3H6S |
Thietane |
1 |
A' |
3269 |
2994 |
0.916 |
157 |
1449 |
|
|
2 |
A' |
3230 |
2972 |
0.920 |
157 |
1450 |
|
|
3 |
A' |
3211 |
2946 |
0.917 |
157 |
1451 |
|
|
4 |
A' |
3187 |
2903 |
0.911 |
157 |
1452 |
|
|
5 |
A' |
1637 |
1470 |
0.898 |
157 |
1453 |
|
|
6 |
A' |
1603 |
1452 |
0.906 |
157 |
1454 |
|
|
7 |
A' |
1378 |
1224 |
0.888 |
157 |
1455 |
|
|
8 |
A' |
1308 |
1183 |
0.904 |
157 |
1456 |
|
|
9 |
A' |
1070 |
975 |
0.911 |
157 |
1457 |
|
|
10 |
A' |
1000 |
933 |
0.933 |
157 |
1458 |
|
|
11 |
A' |
918 |
845 |
0.921 |
157 |
1459 |
|
|
12 |
A' |
766 |
700 |
0.914 |
157 |
1460 |
|
|
13 |
A' |
585 |
529 |
0.904 |
157 |
1461 |
|
|
14 |
A' |
143 |
|
|
157 |
1462 |
|
|
15 |
A" |
3263 |
2994 |
0.918 |
157 |
1463 |
|
|
16 |
A" |
3209 |
2950 |
0.919 |
157 |
1464 |
|
|
17 |
A" |
1610 |
1454 |
0.903 |
157 |
1465 |
|
|
18 |
A" |
1426 |
1281 |
0.899 |
157 |
1466 |
|
|
19 |
A" |
1363 |
1229 |
0.902 |
157 |
1467 |
|
|
20 |
A" |
1307 |
1165 |
0.891 |
157 |
1468 |
|
|
21 |
A" |
1118 |
1011 |
0.904 |
157 |
1469 |
|
|
22 |
A" |
1040 |
986 |
0.948 |
157 |
1470 |
|
|
23 |
A" |
885 |
823 |
0.929 |
157 |
1471 |
|
|
24 |
A" |
750 |
677 |
0.902 |
157 |
1472 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3276 |
2990 |
0.913 |
158 |
1473 |
|
|
2 |
A |
3257 |
2983 |
0.916 |
158 |
1474 |
|
|
3 |
A |
3179 |
2913 |
0.916 |
158 |
1475 |
|
|
4 |
A |
1597 |
1426 |
0.893 |
158 |
1476 |
|
|
5 |
A |
1584 |
1419 |
0.896 |
158 |
1477 |
|
|
6 |
A |
1480 |
1311 |
0.886 |
158 |
1478 |
|
|
7 |
A |
1060 |
955 |
0.901 |
158 |
1479 |
|
|
8 |
A |
1059 |
949 |
0.896 |
158 |
1480 |
|
|
9 |
A |
763 |
694 |
0.910 |
158 |
1481 |
|
|
10 |
A |
554 |
509 |
0.919 |
158 |
1482 |
|
|
11 |
A |
254 |
240 |
0.943 |
158 |
1483 |
|
|
12 |
A |
167 |
134 |
0.801 |
158 |
1484 |
|
|
13 |
A |
106 |
117 |
1.103 |
158 |
1485 |
|
|
14 |
B |
3275 |
2990 |
0.913 |
158 |
1486 |
|
|
15 |
B |
3256 |
2983 |
0.916 |
158 |
1487 |
|
|
16 |
B |
3177 |
2915 |
0.917 |
158 |
1488 |
|
|
17 |
B |
1601 |
1430 |
0.893 |
158 |
1489 |
|
|
18 |
B |
1579 |
1415 |
0.896 |
158 |
1490 |
|
|
19 |
B |
1472 |
1303 |
0.885 |
158 |
1491 |
|
|
20 |
B |
1064 |
955 |
0.897 |
158 |
1492 |
|
|
21 |
B |
1050 |
949 |
0.904 |
158 |
1493 |
|
|
22 |
B |
755 |
691 |
0.915 |
158 |
1494 |
|
|
23 |
B |
285 |
274 |
0.960 |
158 |
1495 |
|
|
24 |
B |
175 |
134 |
0.765 |
158 |
1496 |
C3H8 |
Propane |
1 |
A1 |
3210 |
2977 |
0.927 |
159 |
1497 |
|
|
2 |
A1 |
3152 |
2962 |
0.940 |
159 |
1498 |
|
|
3 |
A1 |
3146 |
2887 |
0.918 |
159 |
1499 |
|
|
4 |
A1 |
1629 |
1476 |
0.906 |
159 |
1500 |
|
|
5 |
A1 |
1607 |
1462 |
0.910 |
159 |
1501 |
|
|
6 |
A1 |
1543 |
1392 |
0.902 |
159 |
1502 |
|
|
7 |
A1 |
1273 |
1158 |
0.910 |
159 |
1503 |
|
|
8 |
A1 |
921 |
869 |
0.944 |
159 |
1504 |
|
|
9 |
A1 |
391 |
369 |
0.944 |
159 |
1505 |
|
|
10 |
A2 |
3196 |
2967 |
0.928 |
159 |
1506 |
|
|
11 |
A2 |
1605 |
1451 |
0.904 |
159 |
1507 |
|
|
12 |
A2 |
1420 |
1278 |
0.900 |
159 |
1508 |
|
|
13 |
A2 |
975 |
940 |
0.964 |
159 |
1509 |
|
|
14 |
A2 |
232 |
216 |
0.930 |
159 |
1510 |
|
|
15 |
B1 |
3212 |
2973 |
0.926 |
159 |
1511 |
|
|
16 |
B1 |
3163 |
2968 |
0.938 |
159 |
1512 |
|
|
17 |
B1 |
1622 |
1472 |
0.908 |
159 |
1513 |
|
|
18 |
B1 |
1317 |
1192 |
0.905 |
159 |
1514 |
|
|
19 |
B1 |
803 |
748 |
0.932 |
159 |
1515 |
|
|
20 |
B1 |
292 |
268 |
0.918 |
159 |
1516 |
|
|
21 |
B2 |
3206 |
2968 |
0.926 |
159 |
1517 |
|
|
22 |
B2 |
3145 |
2887 |
0.918 |
159 |
1518 |
|
|
23 |
B2 |
1612 |
1464 |
0.908 |
159 |
1519 |
|
|
24 |
B2 |
1532 |
1378 |
0.899 |
159 |
1520 |
|
|
25 |
B2 |
1485 |
1338 |
0.901 |
159 |
1521 |
|
|
26 |
B2 |
1118 |
1054 |
0.943 |
159 |
1522 |
|
|
27 |
B2 |
1003 |
922 |
0.919 |
159 |
1523 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3371 |
3091 |
0.917 |
160 |
1524 |
|
|
2 |
A1 |
3344 |
3075 |
0.920 |
160 |
1525 |
|
|
3 |
A1 |
3153 |
2886 |
0.915 |
160 |
1526 |
|
|
4 |
A1 |
1712 |
1500 |
0.876 |
160 |
1527 |
|
|
5 |
A1 |
1552 |
1378 |
0.888 |
160 |
1528 |
|
|
6 |
A1 |
1518 |
1365 |
0.899 |
160 |
1529 |
|
|
7 |
A1 |
1220 |
1106 |
0.906 |
160 |
1530 |
|
|
8 |
A1 |
1056 |
994 |
0.941 |
160 |
1531 |
|
|
9 |
A1 |
975 |
915 |
0.938 |
160 |
1532 |
|
|
10 |
A1 |
866 |
802 |
0.926 |
160 |
1533 |
|
|
11 |
A2 |
1242 |
1100 |
0.886 |
160 |
1534 |
|
|
12 |
A2 |
1074 |
941 |
0.876 |
160 |
1535 |
|
|
13 |
A2 |
809 |
700 |
0.865 |
160 |
1536 |
|
|
14 |
A2 |
562 |
516 |
0.919 |
160 |
1537 |
|
|
15 |
B1 |
3176 |
2900 |
0.913 |
160 |
1538 |
|
|
16 |
B1 |
1086 |
925 |
0.852 |
160 |
1539 |
|
|
17 |
B1 |
1025 |
891 |
0.869 |
160 |
1540 |
|
|
18 |
B1 |
746 |
664 |
0.891 |
160 |
1541 |
|
|
19 |
B1 |
383 |
350 |
0.914 |
160 |
1542 |
|
|
20 |
B2 |
3362 |
3105 |
0.923 |
160 |
1543 |
|
|
21 |
B2 |
3334 |
3043 |
0.913 |
160 |
1544 |
|
|
22 |
B2 |
1788 |
1580 |
0.884 |
160 |
1545 |
|
|
23 |
B2 |
1440 |
1292 |
0.897 |
160 |
1546 |
|
|
24 |
B2 |
1398 |
1239 |
0.886 |
160 |
1547 |
|
|
25 |
B2 |
1204 |
1090 |
0.905 |
160 |
1548 |
|
|
26 |
B2 |
1028 |
959 |
0.933 |
160 |
1549 |
|
|
27 |
B2 |
867 |
805 |
0.929 |
160 |
1550 |
C5H5N |
Pyridine |
1 |
A1 |
3354 |
3094 |
0.923 |
161 |
1551 |
|
|
2 |
A1 |
3325 |
3073 |
0.924 |
161 |
1552 |
|
|
3 |
A1 |
3311 |
3030 |
0.915 |
161 |
1553 |
|
|
4 |
A1 |
1780 |
1584 |
0.890 |
161 |
1554 |
|
|
5 |
A1 |
1646 |
1483 |
0.901 |
161 |
1555 |
|
|
6 |
A1 |
1335 |
1218 |
0.912 |
161 |
1556 |
|
|
7 |
A1 |
1173 |
1072 |
0.914 |
161 |
1557 |
|
|
8 |
A1 |
1119 |
1032 |
0.922 |
161 |
1558 |
|
|
9 |
A1 |
1086 |
991 |
0.913 |
161 |
1559 |
|
|
10 |
A1 |
658 |
601 |
0.914 |
161 |
1560 |
|
|
11 |
A2 |
1130 |
980 |
0.867 |
161 |
1561 |
|
|
12 |
A2 |
983 |
880 |
0.895 |
161 |
1562 |
|
|
13 |
A2 |
435 |
373 |
0.857 |
161 |
1563 |
|
|
14 |
B1 |
1132 |
1007 |
0.890 |
161 |
1564 |
|
|
15 |
B1 |
1076 |
937 |
0.871 |
161 |
1565 |
|
|
16 |
B1 |
840 |
744 |
0.885 |
161 |
1566 |
|
|
17 |
B1 |
777 |
700 |
0.901 |
161 |
1567 |
|
|
18 |
B1 |
463 |
403 |
0.871 |
161 |
1568 |
|
|
19 |
B2 |
3346 |
3087 |
0.923 |
161 |
1569 |
|
|
20 |
B2 |
3311 |
3042 |
0.919 |
161 |
1570 |
|
|
21 |
B2 |
1769 |
1581 |
0.893 |
161 |
1571 |
|
|
22 |
B2 |
1593 |
1442 |
0.905 |
161 |
1572 |
|
|
23 |
B2 |
1499 |
1362 |
0.909 |
161 |
1573 |
|
|
24 |
B2 |
1300 |
1227 |
0.944 |
161 |
1574 |
|
|
25 |
B2 |
1164 |
1143 |
0.983 |
161 |
1575 |
|
|
26 |
B2 |
1143 |
1079 |
0.944 |
161 |
1576 |
|
|
27 |
B2 |
717 |
652 |
0.910 |
161 |
1577 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3321 |
3058 |
0.921 |
162 |
1578 |
|
|
2 |
A' |
3278 |
2995 |
0.914 |
162 |
1579 |
|
|
3 |
A' |
3242 |
2963 |
0.914 |
162 |
1580 |
|
|
4 |
A' |
3159 |
2938 |
0.930 |
162 |
1581 |
|
|
5 |
A' |
3085 |
2805 |
0.909 |
162 |
1582 |
|
|
6 |
A' |
1975 |
1720 |
0.871 |
162 |
1583 |
|
|
7 |
A' |
1849 |
1649 |
0.892 |
162 |
1584 |
|
|
8 |
A' |
1601 |
1455 |
0.909 |
162 |
1585 |
|
|
9 |
A' |
1543 |
1391 |
0.902 |
162 |
1586 |
|
|
10 |
A' |
1535 |
1375 |
0.895 |
162 |
1587 |
|
|
11 |
A' |
1434 |
1304 |
0.909 |
162 |
1588 |
|
|
12 |
A' |
1388 |
1253 |
0.903 |
162 |
1589 |
|
|
13 |
A' |
1252 |
1147 |
0.916 |
162 |
1590 |
|
|
14 |
A' |
1151 |
1074 |
0.933 |
162 |
1591 |
|
|
15 |
A' |
1005 |
973 |
0.968 |
162 |
1592 |
|
|
16 |
A' |
583 |
539 |
0.925 |
162 |
1593 |
|
|
17 |
A' |
490 |
464 |
0.947 |
162 |
1594 |
|
|
18 |
A' |
226 |
230 |
1.016 |
162 |
1595 |
|
|
19 |
A" |
3204 |
2980 |
0.930 |
162 |
1596 |
|
|
20 |
A" |
1596 |
1455 |
0.911 |
162 |
1597 |
|
|
21 |
A" |
1185 |
1042 |
0.879 |
162 |
1598 |
|
|
22 |
A" |
1144 |
973 |
0.851 |
162 |
1599 |
|
|
23 |
A" |
1102 |
928 |
0.842 |
162 |
1600 |
|
|
24 |
A" |
871 |
780 |
0.895 |
162 |
1601 |
|
|
25 |
A" |
312 |
295 |
0.944 |
162 |
1602 |
|
|
26 |
A" |
216 |
173 |
0.802 |
162 |
1603 |
|
|
27 |
A" |
137 |
122 |
0.890 |
162 |
1604 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3291 |
3035 |
0.922 |
163 |
1605 |
|
|
2 |
A' |
3287 |
3031 |
0.922 |
163 |
1606 |
|
|
3 |
A' |
3196 |
2966 |
0.928 |
163 |
1607 |
|
|
4 |
A' |
3186 |
2964 |
0.930 |
163 |
1608 |
|
|
5 |
A' |
1981 |
1771 |
0.894 |
163 |
1609 |
|
|
6 |
A' |
1625 |
1460 |
0.898 |
163 |
1610 |
|
|
7 |
A' |
1613 |
1440 |
0.893 |
163 |
1611 |
|
|
8 |
A' |
1586 |
1430 |
0.902 |
163 |
1612 |
|
|
9 |
A' |
1535 |
1375 |
0.896 |
163 |
1613 |
|
|
10 |
A' |
1414 |
1248 |
0.883 |
163 |
1614 |
|
|
11 |
A' |
1328 |
1159 |
0.873 |
163 |
1615 |
|
|
12 |
A' |
1193 |
1060 |
0.889 |
163 |
1616 |
|
|
13 |
A' |
1072 |
980 |
0.914 |
163 |
1617 |
|
|
14 |
A' |
943 |
844 |
0.895 |
163 |
1618 |
|
|
15 |
A' |
695 |
639 |
0.919 |
163 |
1619 |
|
|
16 |
A' |
455 |
429 |
0.943 |
163 |
1620 |
|
|
17 |
A' |
303 |
303 |
1.000 |
163 |
1621 |
|
|
18 |
A" |
3268 |
3005 |
0.919 |
163 |
1622 |
|
|
19 |
A" |
3246 |
2994 |
0.923 |
163 |
1623 |
|
|
20 |
A" |
1612 |
1460 |
0.905 |
163 |
1624 |
|
|
21 |
A" |
1596 |
1430 |
0.896 |
163 |
1625 |
|
|
22 |
A" |
1291 |
1187 |
0.920 |
163 |
1626 |
|
|
23 |
A" |
1174 |
1036 |
0.882 |
163 |
1627 |
|
|
24 |
A" |
671 |
607 |
0.904 |
163 |
1628 |
|
|
25 |
A" |
189 |
187 |
0.992 |
163 |
1629 |
|
|
26 |
A" |
161 |
136 |
0.843 |
163 |
1630 |
|
|
27 |
A" |
91 |
110 |
1.211 |
163 |
1631 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3276 |
2989 |
0.912 |
164 |
1632 |
|
|
2 |
A1 |
3237 |
2941 |
0.909 |
164 |
1633 |
|
|
3 |
A1 |
3151 |
2911 |
0.924 |
164 |
1634 |
|
|
4 |
A1 |
1854 |
1661 |
0.896 |
164 |
1635 |
|
|
5 |
A1 |
1619 |
1470 |
0.908 |
164 |
1636 |
|
|
6 |
A1 |
1565 |
1416 |
0.905 |
164 |
1637 |
|
|
7 |
A1 |
1533 |
1366 |
0.891 |
164 |
1638 |
|
|
8 |
A1 |
1175 |
1064 |
0.906 |
164 |
1639 |
|
|
9 |
A1 |
857 |
801 |
0.935 |
164 |
1640 |
|
|
10 |
A1 |
403 |
383 |
0.950 |
164 |
1641 |
|
|
11 |
A2 |
3185 |
2970 |
0.933 |
164 |
1642 |
|
|
12 |
A2 |
1589 |
1459 |
0.918 |
164 |
1643 |
|
|
13 |
A2 |
1107 |
1076 |
0.972 |
164 |
1644 |
|
|
14 |
A2 |
767 |
|
|
164 |
1645 |
|
|
15 |
A2 |
181 |
193 |
1.068 |
164 |
1646 |
|
|
16 |
B1 |
3190 |
2945 |
0.923 |
164 |
1647 |
|
|
17 |
B1 |
1607 |
1444 |
0.898 |
164 |
1648 |
|
|
18 |
B1 |
1208 |
1079 |
0.893 |
164 |
1649 |
|
|
19 |
B1 |
1042 |
890 |
0.854 |
164 |
1650 |
|
|
20 |
B1 |
480 |
429 |
0.895 |
164 |
1651 |
|
|
21 |
B1 |
228 |
196 |
0.858 |
164 |
1652 |
|
|
22 |
B2 |
3350 |
3086 |
0.921 |
164 |
1653 |
|
|
23 |
B2 |
3235 |
2980 |
0.921 |
164 |
1654 |
|
|
24 |
B2 |
3144 |
2893 |
0.920 |
164 |
1655 |
|
|
25 |
B2 |
1601 |
1458 |
0.911 |
164 |
1656 |
|
|
26 |
B2 |
1539 |
1381 |
0.897 |
164 |
1657 |
|
|
27 |
B2 |
1398 |
1282 |
0.917 |
164 |
1658 |
|
|
28 |
B2 |
1061 |
1043 |
0.983 |
164 |
1659 |
|
|
29 |
B2 |
1034 |
974 |
0.942 |
164 |
1660 |
|
|
30 |
B2 |
471 |
430 |
0.914 |
164 |
1661 |
C6H6 |
Benzene |
1 |
A1g |
3348 |
3062 |
0.915 |
165 |
1662 |
|
|
2 |
A1g |
1073 |
992 |
0.925 |
165 |
1663 |
|
|
3 |
A2g |
1498 |
1326 |
0.885 |
165 |
1664 |
|
|
4 |
A2u |
759 |
673 |
0.887 |
165 |
1665 |
|
|
5 |
B1u |
3305 |
3068 |
0.928 |
165 |
1666 |
|
|
6 |
B1u |
1095 |
1010 |
0.922 |
165 |
1667 |
|
|
7 |
B2g |
1127 |
995 |
0.883 |
165 |
1668 |
|
|
8 |
B2g |
776 |
703 |
0.906 |
165 |
1669 |
|
|
9 |
B2u |
1337 |
1310 |
0.980 |
165 |
1670 |
|
|
10 |
B2u |
1171 |
1150 |
0.982 |
165 |
1671 |
|
|
11 |
E1g |
956 |
849 |
0.888 |
165 |
1672 |
|
|
12 |
E1u |
3336 |
3063 |
0.918 |
165 |
1673 |
|
|
13 |
E1u |
1635 |
1486 |
0.909 |
165 |
1674 |
|
|
14 |
E1u |
1130 |
1038 |
0.919 |
165 |
1675 |
|
|
15 |
E2g |
3317 |
3047 |
0.919 |
165 |
1676 |
|
|
16 |
E2g |
1775 |
1596 |
0.899 |
165 |
1677 |
|
|
17 |
E2g |
1282 |
1178 |
0.919 |
165 |
1678 |
|
|
18 |
E2g |
663 |
606 |
0.914 |
165 |
1679 |
|
|
19 |
E2u |
1100 |
975 |
0.886 |
165 |
1680 |
|
|
20 |
E2u |
452 |
410 |
0.908 |
165 |
1681 |
C4H8 |
cyclobutane |
1 |
A1 |
3210 |
2951 |
0.919 |
166 |
1682 |
|
|
2 |
A1 |
3184 |
2862 |
0.899 |
166 |
1683 |
|
|
3 |
A1 |
1647 |
1468 |
0.891 |
166 |
1684 |
|
|
4 |
A1 |
1281 |
1153 |
0.900 |
166 |
1685 |
|
|
5 |
A1 |
1073 |
1004 |
0.936 |
166 |
1686 |
|
|
6 |
A1 |
208 |
199 |
0.955 |
166 |
1687 |
|
|
7 |
A2 |
1375 |
1260 |
0.916 |
166 |
1688 |
|
|
8 |
A2 |
1030 |
941 |
0.913 |
166 |
1689 |
|
|
9 |
B1 |
1373 |
1231 |
0.897 |
166 |
1690 |
|
|
10 |
B1 |
1274 |
1142 |
0.896 |
166 |
1691 |
|
|
11 |
B1 |
1002 |
928 |
0.927 |
166 |
1692 |
|
|
12 |
B2 |
3242 |
2973 |
0.917 |
166 |
1693 |
|
|
13 |
B2 |
3174 |
2934 |
0.924 |
166 |
1694 |
|
|
14 |
B2 |
1606 |
1440 |
0.896 |
166 |
1695 |
|
|
15 |
B2 |
959 |
883 |
0.921 |
166 |
1696 |
|
|
16 |
B2 |
680 |
625 |
0.920 |
166 |
1697 |
|
|
17 |
E |
3221 |
2959 |
0.919 |
166 |
1698 |
|
|
18 |
E |
3177 |
2862 |
0.901 |
166 |
1699 |
|
|
19 |
E |
1604 |
1441 |
0.898 |
166 |
1700 |
|
|
20 |
E |
1415 |
1252 |
0.885 |
166 |
1701 |
|
|
21 |
E |
1352 |
1217 |
0.900 |
166 |
1702 |
|
|
22 |
E |
975 |
893 |
0.916 |
166 |
1703 |
|
|
23 |
E |
805 |
746 |
0.926 |
166 |
1704 |
C6H6 |
Fulvene |
1 |
A1 |
3381 |
3088 |
0.913 |
167 |
1705 |
|
|
2 |
A1 |
3355 |
3051 |
0.909 |
167 |
1706 |
|
|
3 |
A1 |
3287 |
3008 |
0.915 |
167 |
1707 |
|
|
4 |
A1 |
1851 |
1632 |
0.882 |
167 |
1708 |
|
|
5 |
A1 |
1682 |
1486 |
0.884 |
167 |
1709 |
|
|
6 |
A1 |
1573 |
1449 |
0.921 |
167 |
1710 |
|
|
7 |
A1 |
1486 |
1342 |
0.903 |
167 |
1711 |
|
|
8 |
A1 |
1194 |
1082 |
0.906 |
167 |
1712 |
|
|
9 |
A1 |
1044 |
986 |
0.945 |
167 |
1713 |
|
|
10 |
A1 |
960 |
894 |
0.931 |
167 |
1714 |
|
|
11 |
A1 |
719 |
641 |
0.892 |
167 |
1715 |
|
|
12 |
A2 |
1071 |
|
|
167 |
1716 |
|
|
13 |
A2 |
873 |
|
|
167 |
1717 |
|
|
14 |
A2 |
774 |
666 |
0.861 |
167 |
1718 |
|
|
15 |
A2 |
542 |
494 |
0.912 |
167 |
1719 |
|
|
16 |
B1 |
1091 |
926 |
0.849 |
167 |
1720 |
|
|
17 |
B1 |
1063 |
907 |
0.854 |
167 |
1721 |
|
|
18 |
B1 |
882 |
769 |
0.871 |
167 |
1722 |
|
|
19 |
B1 |
679 |
613 |
0.902 |
167 |
1723 |
|
|
20 |
B1 |
228 |
|
|
167 |
1724 |
|
|
21 |
B2 |
3374 |
|
|
167 |
1725 |
|
|
22 |
B2 |
3368 |
3104 |
0.922 |
167 |
1726 |
|
|
23 |
B2 |
3345 |
3075 |
0.919 |
167 |
1727 |
|
|
24 |
B2 |
1770 |
1550 |
0.876 |
167 |
1728 |
|
|
25 |
B2 |
1463 |
1314 |
0.898 |
167 |
1729 |
|
|
26 |
B2 |
1364 |
1232 |
0.903 |
167 |
1730 |
|
|
27 |
B2 |
1198 |
1077 |
0.899 |
167 |
1731 |
|
|
28 |
B2 |
1035 |
952 |
0.920 |
167 |
1732 |
|
|
29 |
B2 |
860 |
795 |
0.924 |
167 |
1733 |
|
|
30 |
B2 |
368 |
350 |
0.951 |
167 |
1734 |
C3H6O3 |
1,3,5-Trioxane |
1 |
A1 |
3296 |
3020 |
0.916 |
168 |
1735 |
|
|
2 |
A1 |
3123 |
2855 |
0.914 |
168 |
1736 |
|
|
3 |
A1 |
1675 |
1477 |
0.882 |
168 |
1737 |
|
|
4 |
A1 |
1368 |
1168 |
0.854 |
168 |
1738 |
|
|
5 |
A1 |
1083 |
970 |
0.896 |
168 |
1739 |
|
|
6 |
A1 |
846 |
749 |
0.886 |
168 |
1740 |
|
|
7 |
A1 |
466 |
476 |
1.021 |
168 |
1741 |
|
|
8 |
A2 |
1533 |
|
|
168 |
1742 |
|
|
9 |
A2 |
1372 |
1255 |
0.915 |
168 |
1743 |
|
|
10 |
A2 |
1152 |
|
|
168 |
1744 |
|
|
11 |
E |
3291 |
3020 |
0.918 |
168 |
1745 |
|
|
12 |
E |
3102 |
2855 |
0.921 |
168 |
1746 |
|
|
13 |
E |
1654 |
1477 |
0.893 |
168 |
1747 |
|
|
14 |
E |
1589 |
1412 |
0.889 |
168 |
1748 |
|
|
15 |
E |
1453 |
1309 |
0.901 |
168 |
1749 |
|
|
16 |
E |
1342 |
1168 |
0.870 |
168 |
1750 |
|
|
17 |
E |
1192 |
1068 |
0.896 |
168 |
1751 |
|
|
18 |
E |
1062 |
935 |
0.880 |
168 |
1752 |
|
|
19 |
E |
582 |
524 |
0.900 |
168 |
1753 |
|
|
20 |
E |
295 |
307 |
1.042 |
168 |
1754 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3370 |
3095 |
0.918 |
169 |
1755 |
|
|
2 |
A' |
3360 |
3095 |
0.921 |
169 |
1756 |
|
|
3 |
A' |
3303 |
3000 |
0.908 |
169 |
1757 |
|
|
4 |
A' |
3288 |
3000 |
0.912 |
169 |
1758 |
|
|
5 |
A' |
3282 |
3000 |
0.914 |
169 |
1759 |
|
|
6 |
A' |
3243 |
2984 |
0.920 |
169 |
1760 |
|
|
7 |
A' |
3161 |
2904 |
0.919 |
169 |
1761 |
|
|
8 |
A' |
1857 |
1638 |
0.882 |
169 |
1762 |
|
|
9 |
A' |
1796 |
1607 |
0.895 |
169 |
1763 |
|
|
10 |
A' |
1621 |
1464 |
0.903 |
169 |
1764 |
|
|
11 |
A' |
1581 |
1420 |
0.898 |
169 |
1765 |
|
|
12 |
A' |
1552 |
1389 |
0.895 |
169 |
1766 |
|
|
13 |
A' |
1531 |
1363 |
0.890 |
169 |
1767 |
|
|
14 |
A' |
1433 |
1313 |
0.916 |
169 |
1768 |
|
|
15 |
A' |
1430 |
1303 |
0.911 |
169 |
1769 |
|
|
16 |
A' |
1179 |
1072 |
0.909 |
169 |
1770 |
|
|
17 |
A' |
1093 |
1012 |
0.925 |
169 |
1771 |
|
|
18 |
A' |
1031 |
953 |
0.925 |
169 |
1772 |
|
|
19 |
A' |
829 |
770 |
0.929 |
169 |
1773 |
|
|
20 |
A' |
569 |
530 |
0.931 |
169 |
1774 |
|
|
21 |
A' |
458 |
396 |
0.864 |
169 |
1775 |
|
|
22 |
A' |
299 |
196 |
0.657 |
169 |
1776 |
|
|
23 |
A" |
3207 |
2949 |
0.919 |
169 |
1777 |
|
|
24 |
A" |
1601 |
1451 |
0.907 |
169 |
1778 |
|
|
25 |
A" |
1166 |
1034 |
0.887 |
169 |
1779 |
|
|
26 |
A" |
1135 |
991 |
0.873 |
169 |
1780 |
|
|
27 |
A" |
1066 |
907 |
0.851 |
169 |
1781 |
|
|
28 |
A" |
1052 |
907 |
0.862 |
169 |
1782 |
|
|
29 |
A" |
860 |
757 |
0.880 |
169 |
1783 |
|
|
30 |
A" |
707 |
615 |
0.870 |
169 |
1784 |
|
|
31 |
A" |
443 |
290 |
0.655 |
169 |
1785 |
|
|
32 |
A" |
231 |
153 |
0.663 |
169 |
1786 |
C5H8 |
Cyclopentene |
1 |
A' |
3341 |
3066 |
0.918 |
170 |
1787 |
|
|
2 |
A' |
3222 |
2958 |
0.918 |
170 |
1788 |
|
|
3 |
A' |
3194 |
2916 |
0.913 |
170 |
1789 |
|
|
4 |
A' |
3169 |
2902 |
0.916 |
170 |
1790 |
|
|
5 |
A' |
3141 |
2852 |
0.908 |
170 |
1791 |
|
|
6 |
A' |
1821 |
1616 |
0.888 |
170 |
1792 |
|
|
7 |
A' |
1635 |
1467 |
0.897 |
170 |
1793 |
|
|
8 |
A' |
1605 |
1449 |
0.903 |
170 |
1794 |
|
|
9 |
A' |
1459 |
1302 |
0.892 |
170 |
1795 |
|
|
10 |
A' |
1338 |
1284 |
0.959 |
170 |
1796 |
|
|
11 |
A' |
1220 |
1213 |
0.994 |
170 |
1797 |
|
|
12 |
A' |
1171 |
1048 |
0.895 |
170 |
1798 |
|
|
13 |
A' |
1030 |
964 |
0.936 |
170 |
1799 |
|
|
14 |
A' |
959 |
962 |
1.004 |
170 |
1800 |
|
|
15 |
A' |
885 |
904 |
1.022 |
170 |
1801 |
|
|
16 |
A' |
785 |
692 |
0.881 |
170 |
1802 |
|
|
17 |
A' |
661 |
603 |
0.912 |
170 |
1803 |
|
|
18 |
A' |
152 |
254 |
1.671 |
170 |
1804 |
|
|
19 |
A" |
3312 |
3039 |
0.917 |
170 |
1805 |
|
|
20 |
A" |
3183 |
2967 |
0.932 |
170 |
1806 |
|
|
21 |
A" |
3144 |
2927 |
0.931 |
170 |
1807 |
|
|
22 |
A" |
1614 |
1467 |
0.909 |
170 |
1808 |
|
|
23 |
A" |
1504 |
1432 |
0.952 |
170 |
1809 |
|
|
24 |
A" |
1439 |
1356 |
0.942 |
170 |
1810 |
|
|
25 |
A" |
1428 |
1302 |
0.912 |
170 |
1811 |
|
|
26 |
A" |
1339 |
1297 |
0.969 |
170 |
1812 |
|
|
27 |
A" |
1253 |
1207 |
0.964 |
170 |
1813 |
|
|
28 |
A" |
1108 |
1113 |
1.004 |
170 |
1814 |
|
|
29 |
A" |
1091 |
1082 |
0.992 |
170 |
1815 |
|
|
30 |
A" |
980 |
937 |
0.957 |
170 |
1816 |
|
|
31 |
A" |
953 |
800 |
0.839 |
170 |
1817 |
|
|
32 |
A" |
837 |
702 |
0.838 |
170 |
1818 |
|
|
33 |
A" |
424 |
387 |
0.912 |
170 |
1819 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3267 |
2987 |
0.914 |
171 |
1820 |
|
|
2 |
A1 |
3251 |
2941 |
0.905 |
171 |
1821 |
|
|
3 |
A1 |
3152 |
2916 |
0.925 |
171 |
1822 |
|
|
4 |
A1 |
2200 |
1996 |
0.907 |
171 |
1823 |
|
|
5 |
A1 |
1632 |
1470 |
0.901 |
171 |
1824 |
|
|
6 |
A1 |
1594 |
1438 |
0.902 |
171 |
1825 |
|
|
7 |
A1 |
1541 |
1369 |
0.888 |
171 |
1826 |
|
|
8 |
A1 |
1413 |
1286 |
0.910 |
171 |
1827 |
|
|
9 |
A1 |
1107 |
973 |
0.879 |
171 |
1828 |
|
|
10 |
A1 |
773 |
726 |
0.939 |
171 |
1829 |
|
|
11 |
A1 |
364 |
349 |
0.959 |
171 |
1830 |
|
|
12 |
A2 |
3191 |
2941 |
0.922 |
171 |
1831 |
|
|
13 |
A2 |
1593 |
1470 |
0.923 |
171 |
1832 |
|
|
14 |
A2 |
1088 |
985 |
0.906 |
171 |
1833 |
|
|
15 |
A2 |
664 |
617 |
0.929 |
171 |
1834 |
|
|
17 |
B1 |
3340 |
3051 |
0.914 |
171 |
1835 |
|
|
18 |
B1 |
3194 |
2941 |
0.921 |
171 |
1836 |
|
|
19 |
B1 |
1609 |
1470 |
0.914 |
171 |
1837 |
|
|
20 |
B1 |
1202 |
1068 |
0.889 |
171 |
1838 |
|
|
21 |
B1 |
1120 |
1004 |
0.897 |
171 |
1839 |
|
|
22 |
B1 |
515 |
443 |
0.860 |
171 |
1840 |
|
|
23 |
B1 |
289 |
187 |
0.648 |
171 |
1841 |
|
|
25 |
B2 |
3249 |
2941 |
0.905 |
171 |
1842 |
|
|
26 |
B2 |
3147 |
2916 |
0.927 |
171 |
1843 |
|
|
27 |
B2 |
1601 |
1470 |
0.918 |
171 |
1844 |
|
|
28 |
B2 |
1527 |
1369 |
0.896 |
171 |
1845 |
|
|
29 |
B2 |
1305 |
1191 |
0.913 |
171 |
1846 |
|
|
30 |
B2 |
1045 |
968 |
0.927 |
171 |
1847 |
|
|
31 |
B2 |
1001 |
848 |
0.847 |
171 |
1848 |
|
|
32 |
B2 |
660 |
554 |
0.840 |
171 |
1849 |
|
|
33 |
B2 |
206 |
187 |
0.907 |
171 |
1850 |
C5H8 |
Spiropentane |
1 |
A1 |
3258 |
3000 |
0.921 |
172 |
1851 |
|
|
2 |
A1 |
1622 |
1423 |
0.877 |
172 |
1852 |
|
|
3 |
A1 |
1194 |
1160 |
0.972 |
172 |
1853 |
|
|
4 |
A1 |
1124 |
1037 |
0.923 |
172 |
1854 |
|
|
5 |
A1 |
640 |
588 |
0.918 |
172 |
1855 |
|
|
6 |
A2 |
3324 |
3070 |
0.924 |
172 |
1856 |
|
|
7 |
A2 |
1272 |
1174 |
0.923 |
172 |
1857 |
|
|
8 |
A2 |
909 |
919 |
1.011 |
172 |
1858 |
|
|
9 |
B1 |
3323 |
3066 |
0.923 |
172 |
1859 |
|
|
10 |
B1 |
1282 |
1166 |
0.909 |
172 |
1860 |
|
|
11 |
B1 |
1113 |
888 |
0.798 |
172 |
1861 |
|
|
12 |
B1 |
316 |
300 |
0.949 |
172 |
1862 |
|
|
13 |
B2 |
3257 |
3000 |
0.921 |
172 |
1863 |
|
|
14 |
B2 |
1708 |
1521 |
0.890 |
172 |
1864 |
|
|
15 |
B2 |
1539 |
1415 |
0.919 |
172 |
1865 |
|
|
16 |
B2 |
1132 |
990 |
0.875 |
172 |
1866 |
|
|
17 |
B2 |
970 |
872 |
0.899 |
172 |
1867 |
|
|
18 |
E |
3339 |
3067 |
0.919 |
172 |
1868 |
|
|
19 |
E |
3250 |
2985 |
0.918 |
172 |
1869 |
|
|
20 |
E |
1585 |
1431 |
0.903 |
172 |
1870 |
|
|
21 |
E |
1284 |
1150 |
0.896 |
172 |
1871 |
|
|
22 |
E |
1202 |
1049 |
0.873 |
172 |
1872 |
|
|
23 |
E |
956 |
870 |
0.910 |
172 |
1873 |
|
|
24 |
E |
843 |
780 |
0.926 |
172 |
1874 |
|
|
25 |
E |
334 |
308 |
0.923 |
172 |
1875 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3196 |
2953 |
0.924 |
173 |
1876 |
|
|
2 |
A1 |
3075 |
2775 |
0.902 |
173 |
1877 |
|
|
3 |
A1 |
1625 |
1459 |
0.898 |
173 |
1878 |
|
|
4 |
A1 |
1614 |
1444 |
0.895 |
173 |
1879 |
|
|
5 |
A1 |
1320 |
1186 |
0.898 |
173 |
1880 |
|
|
6 |
A1 |
893 |
828 |
0.927 |
173 |
1881 |
|
|
7 |
A1 |
382 |
367 |
0.959 |
173 |
1882 |
|
|
8 |
A2 |
3221 |
2977 |
0.924 |
173 |
1883 |
|
|
9 |
A2 |
1611 |
1453 |
0.902 |
173 |
1884 |
|
|
10 |
A2 |
1160 |
1046 |
0.902 |
173 |
1885 |
|
|
11 |
A2 |
245 |
255 |
1.042 |
173 |
1886 |
|
|
12 |
E |
3229 |
2981 |
0.923 |
173 |
1887 |
|
|
13 |
E |
3186 |
2953 |
0.927 |
173 |
1888 |
|
|
14 |
E |
3059 |
2776 |
0.907 |
173 |
1889 |
|
|
15 |
E |
1632 |
1471 |
0.901 |
173 |
1890 |
|
|
16 |
E |
1605 |
1444 |
0.900 |
173 |
1891 |
|
|
17 |
E |
1567 |
1409 |
0.899 |
173 |
1892 |
|
|
18 |
E |
1431 |
1275 |
0.891 |
173 |
1893 |
|
|
19 |
E |
1213 |
1103 |
0.909 |
173 |
1894 |
|
|
20 |
E |
1142 |
1043 |
0.914 |
173 |
1895 |
|
|
21 |
E |
453 |
424 |
0.935 |
173 |
1896 |
|
|
22 |
E |
278 |
281 |
1.009 |
173 |
1897 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3228 |
2974 |
0.921 |
174 |
1898 |
|
|
2 |
A' |
3224 |
2953 |
0.916 |
174 |
1899 |
|
|
3 |
A' |
3194 |
2940 |
0.921 |
174 |
1900 |
|
|
4 |
A' |
3157 |
2876 |
0.911 |
174 |
1901 |
|
|
5 |
A' |
3045 |
2757 |
0.905 |
174 |
1902 |
|
|
6 |
A' |
1999 |
1752 |
0.877 |
174 |
1903 |
|
|
7 |
A' |
1628 |
1474 |
0.906 |
174 |
1904 |
|
|
8 |
A' |
1620 |
1449 |
0.894 |
174 |
1905 |
|
|
9 |
A' |
1549 |
1399 |
0.903 |
174 |
1906 |
|
|
10 |
A' |
1535 |
1381 |
0.900 |
174 |
1907 |
|
|
11 |
A' |
1439 |
1329 |
0.924 |
174 |
1908 |
|
|
12 |
A' |
1285 |
1182 |
0.920 |
174 |
1909 |
|
|
13 |
A' |
1281 |
1138 |
0.888 |
174 |
1910 |
|
|
14 |
A' |
989 |
922 |
0.933 |
174 |
1911 |
|
|
15 |
A' |
899 |
800 |
0.890 |
174 |
1912 |
|
|
16 |
A' |
582 |
632 |
1.087 |
174 |
1913 |
|
|
17 |
A' |
381 |
395 |
1.038 |
174 |
1914 |
|
|
18 |
A' |
353 |
272 |
0.771 |
174 |
1915 |
|
|
19 |
A' |
250 |
212 |
0.849 |
174 |
1916 |
|
|
20 |
A" |
3224 |
2990 |
0.927 |
174 |
1917 |
|
|
21 |
A" |
3209 |
2982 |
0.929 |
174 |
1918 |
|
|
22 |
A" |
3152 |
2885 |
0.915 |
174 |
1919 |
|
|
23 |
A" |
1609 |
1467 |
0.912 |
174 |
1920 |
|
|
24 |
A" |
1604 |
1452 |
0.905 |
174 |
1921 |
|
|
25 |
A" |
1526 |
1437 |
0.942 |
174 |
1922 |
|
|
26 |
A" |
1465 |
1290 |
0.881 |
174 |
1923 |
|
|
27 |
A" |
1244 |
1109 |
0.891 |
174 |
1924 |
|
|
28 |
A" |
1058 |
965 |
0.912 |
174 |
1925 |
|
|
29 |
A" |
1040 |
942 |
0.905 |
174 |
1926 |
|
|
30 |
A" |
1003 |
933 |
0.930 |
174 |
1927 |
|
|
31 |
A" |
354 |
351 |
0.992 |
174 |
1928 |
|
|
32 |
A" |
222 |
227 |
1.023 |
174 |
1929 |
|
|
33 |
A" |
73 |
75 |
1.023 |
174 |
1930 |
CH3COCH2CH3 |
2-Butanone |
1 |
A' |
3274 |
2983 |
0.911 |
175 |
1931 |
|
|
2 |
A' |
3231 |
2983 |
0.923 |
175 |
1932 |
|
|
3 |
A' |
3173 |
2910 |
0.917 |
175 |
1933 |
|
|
4 |
A' |
3167 |
2910 |
0.919 |
175 |
1934 |
|
|
5 |
A' |
3150 |
2884 |
0.915 |
175 |
1935 |
|
|
6 |
A' |
1981 |
1716 |
0.866 |
175 |
1936 |
|
|
7 |
A' |
1617 |
1460 |
0.903 |
175 |
1937 |
|
|
8 |
A' |
1586 |
1422 |
0.897 |
175 |
1938 |
|
|
9 |
A' |
1577 |
1413 |
0.896 |
175 |
1939 |
|
|
10 |
A' |
1544 |
1373 |
0.889 |
175 |
1940 |
|
|
11 |
A' |
1528 |
1346 |
0.881 |
175 |
1941 |
|
|
12 |
A' |
1503 |
1263 |
0.840 |
175 |
1942 |
|
|
13 |
A' |
1289 |
1182 |
0.917 |
175 |
1943 |
|
|
14 |
A' |
1196 |
1089 |
0.911 |
175 |
1944 |
|
|
15 |
A' |
1062 |
997 |
0.939 |
175 |
1945 |
|
|
16 |
A' |
1020 |
939 |
0.921 |
175 |
1946 |
|
|
17 |
A' |
819 |
760 |
0.928 |
175 |
1947 |
|
|
18 |
A' |
635 |
590 |
0.929 |
175 |
1948 |
|
|
19 |
A' |
427 |
413 |
0.968 |
175 |
1949 |
|
|
20 |
A' |
265 |
260 |
0.982 |
175 |
1950 |
|
|
21 |
A" |
3245 |
2983 |
0.919 |
175 |
1951 |
|
|
22 |
A" |
3219 |
2983 |
0.927 |
175 |
1952 |
|
|
23 |
A" |
3174 |
2941 |
0.927 |
175 |
1953 |
|
|
24 |
A" |
1609 |
1460 |
0.908 |
175 |
1954 |
|
|
25 |
A" |
1598 |
1413 |
0.884 |
175 |
1955 |
|
|
26 |
A" |
1396 |
1263 |
0.905 |
175 |
1956 |
|
|
27 |
A" |
1241 |
1108 |
0.893 |
175 |
1957 |
|
|
28 |
A" |
1037 |
952 |
0.918 |
175 |
1958 |
|
|
29 |
A" |
818 |
768 |
0.939 |
175 |
1959 |
|
|
30 |
A" |
517 |
460 |
0.890 |
175 |
1960 |
|
|
31 |
A" |
233 |
201 |
0.864 |
175 |
1961 |
|
|
32 |
A" |
113 |
106 |
0.941 |
175 |
1962 |
|
|
33 |
A" |
24 |
87 |
3.625 |
175 |
1963 |
CH3CH(CH3)CH3 |
Isobutane |
1 |
A1 |
3209 |
2965 |
0.924 |
176 |
1964 |
|
|
2 |
A1 |
3151 |
2904 |
0.922 |
176 |
1965 |
|
|
3 |
A1 |
3129 |
2880 |
0.920 |
176 |
1966 |
|
|
4 |
A1 |
1630 |
1477 |
0.906 |
176 |
1967 |
|
|
5 |
A1 |
1552 |
1394 |
0.898 |
176 |
1968 |
|
|
6 |
A1 |
1312 |
1177 |
0.897 |
176 |
1969 |
|
|
7 |
A1 |
841 |
797 |
0.948 |
176 |
1970 |
|
|
8 |
A1 |
462 |
426 |
0.923 |
176 |
1971 |
|
|
9 |
A2 |
3202 |
|
|
176 |
1972 |
|
|
10 |
A2 |
1599 |
|
|
176 |
1973 |
|
|
11 |
A2 |
1033 |
|
|
176 |
1974 |
|
|
12 |
A2 |
221 |
198 |
0.896 |
176 |
1975 |
|
|
13 |
E |
3209 |
2962 |
0.923 |
176 |
1976 |
|
|
14 |
E |
3194 |
2951 |
0.924 |
176 |
1977 |
|
|
15 |
E |
3142 |
2887 |
0.919 |
176 |
1978 |
|
|
16 |
E |
1622 |
1468 |
0.905 |
176 |
1979 |
|
|
17 |
E |
1605 |
1459 |
0.909 |
176 |
1980 |
|
|
18 |
E |
1528 |
1371 |
0.897 |
176 |
1981 |
|
|
19 |
E |
1477 |
1330 |
0.900 |
176 |
1982 |
|
|
20 |
E |
1286 |
1166 |
0.906 |
176 |
1983 |
|
|
21 |
E |
1038 |
961 |
0.926 |
176 |
1984 |
|
|
22 |
E |
995 |
918 |
0.923 |
176 |
1985 |
|
|
23 |
E |
389 |
367 |
0.942 |
176 |
1986 |
|
|
24 |
E |
276 |
280 |
1.014 |
176 |
1987 |
CH3CH2CH2CH3 |
Butane |
1 |
Ag |
3208 |
2965 |
0.924 |
177 |
1988 |
|
|
2 |
Ag |
3151 |
2872 |
0.911 |
177 |
1989 |
|
|
3 |
Ag |
3135 |
2853 |
0.910 |
177 |
1990 |
|
|
4 |
Ag |
1621 |
1460 |
0.901 |
177 |
1991 |
|
|
5 |
Ag |
1606 |
1442 |
0.898 |
177 |
1992 |
|
|
6 |
Ag |
1539 |
1382 |
0.898 |
177 |
1993 |
|
|
7 |
Ag |
1523 |
1361 |
0.894 |
177 |
1994 |
|
|
8 |
Ag |
1262 |
1151 |
0.912 |
177 |
1995 |
|
|
9 |
Ag |
1127 |
1059 |
0.940 |
177 |
1996 |
|
|
10 |
Ag |
894 |
837 |
0.936 |
177 |
1997 |
|
|
11 |
Ag |
451 |
425 |
0.942 |
177 |
1998 |
|
|
12 |
Au |
3210 |
2968 |
0.925 |
177 |
1999 |
|
|
13 |
Au |
3170 |
2930 |
0.924 |
177 |
2000 |
|
|
14 |
Au |
1615 |
1461 |
0.905 |
177 |
2001 |
|
|
15 |
Au |
1395 |
1257 |
0.901 |
177 |
2002 |
|
|
16 |
Au |
1031 |
948 |
0.919 |
177 |
2003 |
|
|
17 |
Au |
785 |
731 |
0.931 |
177 |
2004 |
|
|
18 |
Au |
240 |
194 |
0.809 |
177 |
2005 |
|
|
19 |
Au |
126 |
102 |
0.809 |
177 |
2006 |
|
|
20 |
Bg |
3202 |
2965 |
0.926 |
177 |
2007 |
|
|
21 |
Bg |
3149 |
2912 |
0.925 |
177 |
2008 |
|
|
22 |
Bg |
1613 |
1460 |
0.905 |
177 |
2009 |
|
|
23 |
Bg |
1438 |
1300 |
0.904 |
177 |
2010 |
|
|
24 |
Bg |
1313 |
1180 |
0.899 |
177 |
2011 |
|
|
25 |
Bg |
869 |
803 |
0.924 |
177 |
2012 |
|
|
26 |
Bg |
277 |
225 |
0.813 |
177 |
2013 |
|
|
27 |
Bu |
3209 |
2968 |
0.925 |
177 |
2014 |
|
|
28 |
Bu |
3148 |
2870 |
0.912 |
177 |
2015 |
|
|
29 |
Bu |
3142 |
2853 |
0.908 |
177 |
2016 |
|
|
30 |
Bu |
1629 |
1461 |
0.897 |
177 |
2017 |
|
|
31 |
Bu |
1607 |
1461 |
0.909 |
177 |
2018 |
|
|
32 |
Bu |
1537 |
1379 |
0.897 |
177 |
2019 |
|
|
33 |
Bu |
1437 |
1290 |
0.898 |
177 |
2020 |
|
|
34 |
Bu |
1085 |
1009 |
0.930 |
177 |
2021 |
|
|
35 |
Bu |
1044 |
964 |
0.923 |
177 |
2022 |
|
|
36 |
Bu |
277 |
271 |
0.977 |
177 |
2023 |
C6H8 |
(E)-hexa-1,3,5-triene |
1 |
Ag |
3365 |
3085 |
0.917 |
178 |
2024 |
|
|
2 |
Ag |
3296 |
3054 |
0.927 |
178 |
2025 |
|
|
3 |
Ag |
3288 |
3054 |
0.929 |
178 |
2026 |
|
|
4 |
Ag |
3279 |
2989 |
0.912 |
178 |
2027 |
|
|
5 |
Ag |
1872 |
1627 |
0.869 |
178 |
2028 |
|
|
6 |
Ag |
1775 |
1579 |
0.890 |
178 |
2029 |
|
|
7 |
Ag |
1550 |
1400 |
0.903 |
178 |
2030 |
|
|
8 |
Ag |
1441 |
1288 |
0.894 |
178 |
2031 |
|
|
9 |
Ag |
1421 |
1220 |
0.859 |
178 |
2032 |
|
|
10 |
Ag |
1301 |
1192 |
0.916 |
178 |
2033 |
|
|
11 |
Ag |
1012 |
934 |
0.923 |
178 |
2034 |
|
|
12 |
Ag |
469 |
444 |
0.947 |
178 |
2035 |
|
|
13 |
Ag |
377 |
355 |
0.942 |
178 |
2036 |
|
|
14 |
Au |
1150 |
1013 |
0.881 |
178 |
2037 |
|
|
15 |
Au |
1085 |
941 |
0.867 |
178 |
2038 |
|
|
16 |
Au |
1055 |
901 |
0.854 |
178 |
2039 |
|
|
17 |
Au |
778 |
683 |
0.878 |
178 |
2040 |
|
|
18 |
Au |
270 |
|
|
178 |
2041 |
|
|
19 |
Au |
100 |
90 |
0.899 |
178 |
2042 |
|
|
20 |
Bg |
1127 |
988 |
0.877 |
178 |
2043 |
|
|
21 |
Bg |
1063 |
928 |
0.873 |
178 |
2044 |
|
|
22 |
Bg |
1005 |
872 |
0.867 |
178 |
2045 |
|
|
23 |
Bg |
670 |
|
|
178 |
2046 |
|
|
24 |
Bg |
218 |
217 |
0.996 |
178 |
2047 |
|
|
25 |
Bu |
3365 |
3099 |
0.921 |
178 |
2048 |
|
|
26 |
Bu |
3299 |
3045 |
0.923 |
178 |
2049 |
|
|
27 |
Bu |
3288 |
3019 |
0.918 |
178 |
2050 |
|
|
28 |
Bu |
3277 |
2953 |
0.901 |
178 |
2051 |
|
|
29 |
Bu |
1833 |
1629 |
0.889 |
178 |
2052 |
|
|
30 |
Bu |
1582 |
1432 |
0.905 |
178 |
2053 |
|
|
31 |
Bu |
1430 |
1295 |
0.905 |
178 |
2054 |
|
|
32 |
Bu |
1385 |
1255 |
0.906 |
178 |
2055 |
|
|
33 |
Bu |
1217 |
1186 |
0.974 |
178 |
2056 |
|
|
34 |
Bu |
1037 |
963 |
0.929 |
178 |
2057 |
|
|
35 |
Bu |
580 |
590 |
1.017 |
178 |
2058 |
|
|
36 |
Bu |
159 |
170 |
1.069 |
178 |
2059 |
C4H9N |
Pyrrolidine |
1 |
A' |
3766 |
3356 |
0.891 |
179 |
2060 |
|
|
2 |
A' |
3237 |
2975 |
0.919 |
179 |
2061 |
|
|
3 |
A' |
3210 |
2927 |
0.912 |
179 |
2062 |
|
|
4 |
A' |
3193 |
2889 |
0.905 |
179 |
2063 |
|
|
5 |
A' |
3081 |
2824 |
0.917 |
179 |
2064 |
|
|
6 |
A' |
1659 |
1484 |
0.894 |
179 |
2065 |
|
|
7 |
A' |
1630 |
1447 |
0.888 |
179 |
2066 |
|
|
8 |
A' |
1529 |
1292 |
0.845 |
179 |
2067 |
|
|
9 |
A' |
1437 |
1273 |
0.886 |
179 |
2068 |
|
|
10 |
A' |
1363 |
1228 |
0.901 |
179 |
2069 |
|
|
11 |
A' |
1332 |
1181 |
0.886 |
179 |
2070 |
|
|
12 |
A' |
1142 |
974 |
0.853 |
179 |
2071 |
|
|
13 |
A' |
1070 |
920 |
0.860 |
179 |
2072 |
|
|
14 |
A' |
1009 |
901 |
0.893 |
179 |
2073 |
|
|
15 |
A' |
958 |
871 |
0.909 |
179 |
2074 |
|
|
16 |
A' |
943 |
832 |
0.883 |
179 |
2075 |
|
|
17 |
A' |
828 |
789 |
0.953 |
179 |
2076 |
|
|
18 |
A' |
622 |
579 |
0.931 |
179 |
2077 |
|
|
19 |
A' |
302 |
299 |
0.989 |
179 |
2078 |
|
|
20 |
A" |
3214 |
2967 |
0.923 |
179 |
2079 |
|
|
21 |
A" |
3199 |
2916 |
0.911 |
179 |
2080 |
|
|
22 |
A" |
3181 |
2879 |
0.905 |
179 |
2081 |
|
|
23 |
A" |
3075 |
2818 |
0.916 |
179 |
2082 |
|
|
24 |
A" |
1641 |
1459 |
0.889 |
179 |
2083 |
|
|
25 |
A" |
1608 |
1412 |
0.878 |
179 |
2084 |
|
|
26 |
A" |
1577 |
1341 |
0.850 |
179 |
2085 |
|
|
27 |
A" |
1451 |
1268 |
0.874 |
179 |
2086 |
|
|
28 |
A" |
1432 |
1211 |
0.845 |
179 |
2087 |
|
|
29 |
A" |
1358 |
1203 |
0.886 |
179 |
2088 |
|
|
30 |
A" |
1314 |
1171 |
0.891 |
179 |
2089 |
|
|
31 |
A" |
1234 |
1099 |
0.891 |
179 |
2090 |
|
|
32 |
A" |
1195 |
1023 |
0.856 |
179 |
2091 |
|
|
33 |
A" |
991 |
883 |
0.891 |
179 |
2092 |
|
|
34 |
A" |
935 |
848 |
0.907 |
179 |
2093 |
|
|
35 |
A" |
684 |
600 |
0.877 |
179 |
2094 |
|
|
36 |
A" |
66 |
65 |
0.980 |
179 |
2095 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3711 |
3345 |
0.901 |
180 |
2096 |
|
|
2 |
A' |
3252 |
2975 |
0.915 |
180 |
2097 |
|
|
3 |
A' |
3218 |
2950 |
0.917 |
180 |
2098 |
|
|
4 |
A' |
3201 |
2918 |
0.912 |
180 |
2099 |
|
|
5 |
A' |
3182 |
2905 |
0.913 |
180 |
2100 |
|
|
6 |
A' |
3121 |
2887 |
0.925 |
180 |
2101 |
|
|
7 |
A' |
1789 |
1614 |
0.902 |
180 |
2102 |
|
|
8 |
A' |
1629 |
1467 |
0.901 |
180 |
2103 |
|
|
9 |
A' |
1596 |
1443 |
0.904 |
180 |
2104 |
|
|
10 |
A' |
1512 |
1390 |
0.919 |
180 |
2105 |
|
|
11 |
A' |
1419 |
1291 |
0.910 |
180 |
2106 |
|
|
12 |
A' |
1343 |
1237 |
0.921 |
180 |
2107 |
|
|
13 |
A' |
1262 |
1137 |
0.901 |
180 |
2108 |
|
|
14 |
A' |
1157 |
1120 |
0.968 |
180 |
2109 |
|
|
15 |
A' |
1019 |
1050 |
1.031 |
180 |
2110 |
|
|
16 |
A' |
953 |
965 |
1.012 |
180 |
2111 |
|
|
17 |
A' |
944 |
788 |
0.835 |
180 |
2112 |
|
|
18 |
A' |
874 |
752 |
0.860 |
180 |
2113 |
|
|
19 |
A' |
724 |
606 |
0.837 |
180 |
2114 |
|
|
20 |
A' |
430 |
448 |
1.042 |
180 |
2115 |
|
|
21 |
A' |
160 |
174 |
1.087 |
180 |
2116 |
|
|
22 |
A" |
3789 |
3411 |
0.900 |
180 |
2117 |
|
|
23 |
A" |
3224 |
2970 |
0.921 |
180 |
2118 |
|
|
24 |
A" |
3178 |
2957 |
0.931 |
180 |
2119 |
|
|
25 |
A" |
1592 |
1452 |
0.912 |
180 |
2120 |
|
|
26 |
A" |
1468 |
1213 |
0.826 |
180 |
2121 |
|
|
27 |
A" |
1391 |
1185 |
0.852 |
180 |
2122 |
|
|
28 |
A" |
1378 |
1168 |
0.847 |
180 |
2123 |
|
|
29 |
A" |
1324 |
1036 |
0.782 |
180 |
2124 |
|
|
30 |
A" |
1270 |
|
|
180 |
2125 |
|
|
31 |
A" |
1111 |
925 |
0.833 |
180 |
2126 |
|
|
32 |
A" |
999 |
912 |
0.913 |
180 |
2127 |
|
|
33 |
A" |
982 |
883 |
0.899 |
180 |
2128 |
|
|
34 |
A" |
822 |
788 |
0.959 |
180 |
2129 |
|
|
35 |
A" |
419 |
354 |
0.846 |
180 |
2130 |
|
|
36 |
A" |
293 |
240 |
0.820 |
180 |
2131 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3231 |
2968 |
0.919 |
181 |
2132 |
|
|
2 |
Ag |
3133 |
2856 |
0.912 |
181 |
2133 |
|
|
3 |
Ag |
1636 |
1444 |
0.882 |
181 |
2134 |
|
|
4 |
Ag |
1570 |
1397 |
0.890 |
181 |
2135 |
|
|
5 |
Ag |
1444 |
1305 |
0.904 |
181 |
2136 |
|
|
6 |
Ag |
1260 |
1128 |
0.895 |
181 |
2137 |
|
|
7 |
Ag |
1116 |
1015 |
0.910 |
181 |
2138 |
|
|
8 |
Ag |
921 |
837 |
0.909 |
181 |
2139 |
|
|
9 |
Ag |
469 |
435 |
0.927 |
181 |
2140 |
|
|
10 |
Ag |
440 |
424 |
0.965 |
181 |
2141 |
|
|
11 |
Au |
3227 |
2970 |
0.920 |
181 |
2142 |
|
|
12 |
Au |
3123 |
2863 |
0.917 |
181 |
2143 |
|
|
13 |
Au |
1620 |
1449 |
0.894 |
181 |
2144 |
|
|
14 |
Au |
1529 |
1369 |
0.895 |
181 |
2145 |
|
|
15 |
Au |
1398 |
1256 |
0.898 |
181 |
2146 |
|
|
16 |
Au |
1286 |
1136 |
0.883 |
181 |
2147 |
|
|
17 |
Au |
1212 |
1086 |
0.896 |
181 |
2148 |
|
|
18 |
Au |
966 |
881 |
0.912 |
181 |
2149 |
|
|
19 |
Au |
264 |
288 |
1.090 |
181 |
2150 |
|
|
20 |
Bg |
3227 |
2968 |
0.920 |
181 |
2151 |
|
|
21 |
Bg |
3133 |
2856 |
0.911 |
181 |
2152 |
|
|
22 |
Bg |
1615 |
1459 |
0.903 |
181 |
2153 |
|
|
23 |
Bg |
1487 |
1335 |
0.898 |
181 |
2154 |
|
|
24 |
Bg |
1349 |
1217 |
0.902 |
181 |
2155 |
|
|
25 |
Bg |
1277 |
1110 |
0.869 |
181 |
2156 |
|
|
26 |
Bg |
940 |
853 |
0.907 |
181 |
2157 |
|
|
27 |
Bg |
532 |
490 |
0.921 |
181 |
2158 |
|
|
28 |
Bu |
3230 |
2970 |
0.920 |
181 |
2159 |
|
|
29 |
Bu |
3142 |
2863 |
0.911 |
181 |
2160 |
|
|
30 |
Bu |
1630 |
1457 |
0.894 |
181 |
2161 |
|
|
31 |
Bu |
1545 |
1378 |
0.892 |
181 |
2162 |
|
|
32 |
Bu |
1436 |
1291 |
0.899 |
181 |
2163 |
|
|
33 |
Bu |
1156 |
1052 |
0.910 |
181 |
2164 |
|
|
34 |
Bu |
985 |
889 |
0.902 |
181 |
2165 |
|
|
35 |
Bu |
669 |
610 |
0.912 |
181 |
2166 |
|
|
36 |
Bu |
283 |
274 |
0.968 |
181 |
2167 |
C6H5CHO |
benzaldehyde |
1 |
A' |
3360 |
3099 |
0.922 |
182 |
2168 |
|
|
2 |
A' |
3347 |
3081 |
0.920 |
182 |
2169 |
|
|
3 |
A' |
3335 |
3081 |
0.924 |
182 |
2170 |
|
|
4 |
A' |
3321 |
3043 |
0.916 |
182 |
2171 |
|
|
5 |
A' |
3313 |
3034 |
0.916 |
182 |
2172 |
|
|
6 |
A' |
3096 |
2806 |
0.906 |
182 |
2173 |
|
|
7 |
A' |
1975 |
1728 |
0.875 |
182 |
2174 |
|
|
8 |
A' |
1787 |
1614 |
0.903 |
182 |
2175 |
|
|
9 |
A' |
1767 |
1603 |
0.907 |
182 |
2176 |
|
|
10 |
A' |
1651 |
1492 |
0.904 |
182 |
2177 |
|
|
11 |
A' |
1606 |
1460 |
0.909 |
182 |
2178 |
|
|
12 |
A' |
1542 |
1387 |
0.899 |
182 |
2179 |
|
|
13 |
A' |
1455 |
1314 |
0.903 |
182 |
2180 |
|
|
14 |
A' |
1340 |
1276 |
0.952 |
182 |
2181 |
|
|
15 |
A' |
1307 |
1202 |
0.920 |
182 |
2182 |
|
|
16 |
A' |
1278 |
1168 |
0.914 |
182 |
2183 |
|
|
17 |
A' |
1213 |
1158 |
0.955 |
182 |
2184 |
|
|
18 |
A' |
1164 |
1074 |
0.923 |
182 |
2185 |
|
|
19 |
A' |
1115 |
1026 |
0.920 |
182 |
2186 |
|
|
20 |
A' |
1085 |
996 |
0.918 |
182 |
2187 |
|
|
21 |
A' |
890 |
825 |
0.927 |
182 |
2188 |
|
|
22 |
A' |
706 |
649 |
0.919 |
182 |
2189 |
|
|
23 |
A' |
673 |
617 |
0.917 |
182 |
2190 |
|
|
24 |
A' |
470 |
437 |
0.929 |
182 |
2191 |
|
|
25 |
A' |
239 |
224 |
0.939 |
182 |
2192 |
|
|
26 |
A" |
1152 |
1003 |
0.870 |
182 |
2193 |
|
|
27 |
A" |
1130 |
996 |
0.882 |
182 |
2194 |
|
|
28 |
A" |
1113 |
978 |
0.879 |
182 |
2195 |
|
|
29 |
A" |
1050 |
918 |
0.875 |
182 |
2196 |
|
|
30 |
A" |
958 |
852 |
0.890 |
182 |
2197 |
|
|
31 |
A" |
839 |
740 |
0.882 |
182 |
2198 |
|
|
32 |
A" |
763 |
688 |
0.902 |
182 |
2199 |
|
|
33 |
A" |
508 |
450 |
0.886 |
182 |
2200 |
|
|
34 |
A" |
457 |
400 |
0.875 |
182 |
2201 |
|
|
35 |
A" |
251 |
217 |
0.865 |
182 |
2202 |
|
|
36 |
A" |
122 |
111 |
0.907 |
182 |
2203 |
C8H8 |
cubane |
1 |
A1g |
3277 |
2995 |
0.914 |
183 |
2204 |
|
|
2 |
A1g |
1085 |
1002 |
0.924 |
183 |
2205 |
|
|
3 |
A2u |
3236 |
2978 |
0.920 |
183 |
2206 |
|
|
4 |
A2u |
1145 |
839 |
0.733 |
183 |
2207 |
|
|
5 |
Eg |
1230 |
1083 |
0.881 |
183 |
2208 |
|
|
6 |
Eg |
979 |
912 |
0.932 |
183 |
2209 |
|
|
7 |
Eu |
1295 |
1151 |
0.889 |
183 |
2210 |
|
|
8 |
Eu |
683 |
617 |
0.903 |
183 |
2211 |
|
|
9 |
T1g |
1277 |
1130 |
0.885 |
183 |
2212 |
|
|
10 |
T1u |
3256 |
2978 |
0.915 |
183 |
2213 |
|
|
11 |
T1u |
1395 |
1230 |
0.882 |
183 |
2214 |
|
|
12 |
T1u |
930 |
853 |
0.917 |
183 |
2215 |
|
|
13 |
T2g |
3246 |
2970 |
0.915 |
183 |
2216 |
|
|
14 |
T2g |
1364 |
1182 |
0.867 |
183 |
2217 |
|
|
15 |
T2g |
916 |
821 |
0.897 |
183 |
2218 |
|
|
16 |
T2g |
737 |
665 |
0.903 |
183 |
2219 |
|
|
17 |
T2u |
1194 |
1036 |
0.867 |
183 |
2220 |
|
|
18 |
T2u |
906 |
829 |
0.915 |
183 |
2221 |
C5H12 |
Pentane |
1 |
A1 |
3209 |
2973 |
0.927 |
184 |
2222 |
|
|
2 |
A1 |
3151 |
2892 |
0.918 |
184 |
2223 |
|
|
3 |
A1 |
3146 |
2866 |
0.911 |
184 |
2224 |
|
|
4 |
A1 |
3130 |
2866 |
0.916 |
184 |
2225 |
|
|
5 |
A1 |
1631 |
1480 |
0.908 |
184 |
2226 |
|
|
6 |
A1 |
1613 |
1463 |
0.907 |
184 |
2227 |
|
|
7 |
A1 |
1606 |
1450 |
0.903 |
184 |
2228 |
|
|
8 |
A1 |
1539 |
1379 |
0.896 |
184 |
2229 |
|
|
9 |
A1 |
1490 |
1346 |
0.904 |
184 |
2230 |
|
|
10 |
A1 |
1254 |
1144 |
0.912 |
184 |
2231 |
|
|
11 |
A1 |
1104 |
1036 |
0.938 |
184 |
2232 |
|
|
12 |
A1 |
934 |
867 |
0.928 |
184 |
2233 |
|
|
13 |
A1 |
421 |
401 |
0.952 |
184 |
2234 |
|
|
14 |
A1 |
191 |
179 |
0.935 |
184 |
2235 |
|
|
15 |
A2 |
3204 |
2967 |
0.926 |
184 |
2236 |
|
|
16 |
A2 |
3158 |
2908 |
0.921 |
184 |
2237 |
|
|
17 |
A2 |
1615 |
1462 |
0.905 |
184 |
2238 |
|
|
18 |
A2 |
1439 |
1346 |
0.935 |
184 |
2239 |
|
|
19 |
A2 |
1372 |
1269 |
0.925 |
184 |
2240 |
|
|
20 |
A2 |
1065 |
993 |
0.932 |
184 |
2241 |
|
|
21 |
A2 |
819 |
766 |
0.936 |
184 |
2242 |
|
|
22 |
A2 |
268 |
210 |
0.784 |
184 |
2243 |
|
|
23 |
A2 |
112 |
131 |
1.168 |
184 |
2244 |
|
|
24 |
B1 |
3209 |
2965 |
0.924 |
184 |
2245 |
|
|
25 |
B1 |
3177 |
2930 |
0.922 |
184 |
2246 |
|
|
26 |
B1 |
3142 |
2930 |
0.932 |
184 |
2247 |
|
|
27 |
B1 |
1614 |
1469 |
0.910 |
184 |
2248 |
|
|
28 |
B1 |
1432 |
1303 |
0.910 |
184 |
2249 |
|
|
29 |
B1 |
1311 |
1170 |
0.892 |
184 |
2250 |
|
|
30 |
B1 |
929 |
858 |
0.923 |
184 |
2251 |
|
|
31 |
B1 |
780 |
727 |
0.932 |
184 |
2252 |
|
|
32 |
B1 |
257 |
215 |
0.835 |
184 |
2253 |
|
|
33 |
B1 |
121 |
88 |
0.725 |
184 |
2254 |
|
|
34 |
B2 |
3208 |
2965 |
0.924 |
184 |
2255 |
|
|
35 |
B2 |
3149 |
2879 |
0.914 |
184 |
2256 |
|
|
36 |
B2 |
3136 |
2866 |
0.914 |
184 |
2257 |
|
|
37 |
B2 |
1622 |
1476 |
0.910 |
184 |
2258 |
|
|
38 |
B2 |
1606 |
1456 |
0.907 |
184 |
2259 |
|
|
39 |
B2 |
1540 |
1389 |
0.902 |
184 |
2260 |
|
|
40 |
B2 |
1533 |
1379 |
0.899 |
184 |
2261 |
|
|
41 |
B2 |
1403 |
1269 |
0.905 |
184 |
2262 |
|
|
42 |
B2 |
1144 |
1073 |
0.938 |
184 |
2263 |
|
|
43 |
B2 |
1113 |
1024 |
0.920 |
184 |
2264 |
|
|
44 |
B2 |
981 |
910 |
0.928 |
184 |
2265 |
|
|
45 |
B2 |
424 |
406 |
0.958 |
184 |
2266 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3158 |
2909 |
0.921 |
185 |
2267 |
|
|
2 |
A1 |
1563 |
1381 |
0.884 |
185 |
2268 |
|
|
3 |
A1 |
769 |
733 |
0.953 |
185 |
2269 |
|
|
4 |
A2 |
206 |
198 |
0.960 |
185 |
2270 |
|
|
5 |
E |
3200 |
2955 |
0.923 |
185 |
2271 |
|
|
6 |
E |
1607 |
1451 |
0.903 |
185 |
2272 |
|
|
7 |
E |
1180 |
999 |
0.846 |
185 |
2273 |
|
|
8 |
E |
351 |
335 |
0.955 |
185 |
2274 |
|
|
9 |
T1 |
3199 |
2975 |
0.930 |
185 |
2275 |
|
|
10 |
T1 |
1600 |
1461 |
0.913 |
185 |
2276 |
|
|
11 |
T1 |
1037 |
932 |
0.899 |
185 |
2277 |
|
|
12 |
T1 |
294 |
203 |
0.689 |
185 |
2278 |
|
|
13 |
T2 |
3211 |
2959 |
0.922 |
185 |
2279 |
|
|
14 |
T2 |
3144 |
2876 |
0.915 |
185 |
2280 |
|
|
15 |
T2 |
1634 |
1475 |
0.903 |
185 |
2281 |
|
|
16 |
T2 |
1526 |
1372 |
0.899 |
185 |
2282 |
|
|
17 |
T2 |
1384 |
1256 |
0.908 |
185 |
2283 |
|
|
18 |
T2 |
992 |
925 |
0.932 |
185 |
2284 |
|
|
19 |
T2 |
445 |
418 |
0.940 |
185 |
2285 |
C6H12 |
Cyclohexane |
1 |
A1g |
3185 |
2930 |
0.920 |
186 |
2286 |
|
|
2 |
A1g |
3132 |
2852 |
0.911 |
186 |
2287 |
|
|
3 |
A1g |
1636 |
1465 |
0.896 |
186 |
2288 |
|
|
4 |
A1g |
1288 |
1157 |
0.898 |
186 |
2289 |
|
|
5 |
A1g |
848 |
802 |
0.946 |
186 |
2290 |
|
|
6 |
A1g |
402 |
383 |
0.952 |
186 |
2291 |
|
|
7 |
A1u |
1501 |
1383 |
0.922 |
186 |
2292 |
|
|
8 |
A1u |
1225 |
1157 |
0.945 |
186 |
2293 |
|
|
9 |
A1u |
1170 |
1057 |
0.903 |
186 |
2294 |
|
|
10 |
A2g |
1465 |
1437 |
0.981 |
186 |
2295 |
|
|
11 |
A2g |
1149 |
1090 |
0.949 |
186 |
2296 |
|
|
12 |
A2u |
3190 |
2915 |
0.914 |
186 |
2297 |
|
|
13 |
A2u |
3137 |
2860 |
0.912 |
186 |
2298 |
|
|
14 |
A2u |
1616 |
1437 |
0.889 |
186 |
2299 |
|
|
15 |
A2u |
1129 |
1030 |
0.912 |
186 |
2300 |
|
|
16 |
A2u |
560 |
523 |
0.933 |
186 |
2301 |
|
|
17 |
Eg |
3178 |
2930 |
0.922 |
186 |
2302 |
|
|
18 |
Eg |
3135 |
2897 |
0.924 |
186 |
2303 |
|
|
19 |
Eg |
1605 |
1443 |
0.899 |
186 |
2304 |
|
|
20 |
Eg |
1509 |
1347 |
0.892 |
186 |
2305 |
|
|
21 |
Eg |
1396 |
1266 |
0.907 |
186 |
2306 |
|
|
22 |
Eg |
1100 |
1027 |
0.934 |
186 |
2307 |
|
|
23 |
Eg |
857 |
785 |
0.916 |
186 |
2308 |
|
|
24 |
Eg |
459 |
426 |
0.927 |
186 |
2309 |
|
|
25 |
Eu |
3177 |
2933 |
0.923 |
186 |
2310 |
|
|
26 |
Eu |
3129 |
2863 |
0.915 |
186 |
2311 |
|
|
27 |
Eu |
1615 |
1457 |
0.902 |
186 |
2312 |
|
|
28 |
Eu |
1507 |
1355 |
0.899 |
186 |
2313 |
|
|
29 |
Eu |
1387 |
1261 |
0.909 |
186 |
2314 |
|
|
30 |
Eu |
989 |
907 |
0.917 |
186 |
2315 |
|
|
31 |
Eu |
917 |
863 |
0.941 |
186 |
2316 |
|
|
32 |
Eu |
247 |
248 |
1.006 |
186 |
2317 |