H2 |
Hydrogen diatomic |
1 |
Σg |
4579 |
4161 |
0.909 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1380 |
1360 |
0.985 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
334 |
346 |
1.037 |
3 |
3 |
Na2 |
Sodium diatomic |
1 |
Σg |
153 |
158 |
1.030 |
4 |
4 |
BeH |
beryllium monohydride |
1 |
Σ |
2089 |
1987 |
0.951 |
5 |
5 |
MgH |
magnesium monohydride |
1 |
Σ |
1499 |
1432 |
0.956 |
6 |
6 |
BH |
Boron monohydride |
1 |
Σ |
2527 |
2269 |
0.898 |
7 |
7 |
AlH |
aluminum monohydride |
1 |
Σ |
1725 |
1625 |
0.942 |
8 |
8 |
CH |
Methylidyne |
1 |
Σ |
3058 |
2733 |
0.894 |
9 |
9 |
|
|
1 |
Σ |
3361 |
|
|
9 |
10 |
C2 |
Carbon diatomic |
1 |
Σg |
1889 |
1827 |
0.967 |
10 |
11 |
SiH |
Silylidyne |
1 |
Σ |
2126 |
1971 |
0.927 |
11 |
12 |
Si2 |
Silicon diatomic |
1 |
Σg |
565 |
507 |
0.896 |
12 |
13 |
NH |
Imidogen |
1 |
Σ |
3517 |
3126 |
0.889 |
13 |
14 |
CN |
Cyano radical |
1 |
Σ |
1921 |
2042 |
1.063 |
14 |
15 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2686 |
2330 |
0.867 |
15 |
16 |
|
|
1 |
Σg |
1919 |
1733 |
0.903 |
15 |
17 |
SiN |
Silicon nitride |
1 |
Σ |
863 |
1138 |
1.319 |
16 |
18 |
PH |
phosphorus monohydride |
1 |
Σ |
2473 |
2276 |
0.920 |
17 |
19 |
|
|
1 |
Σ |
2484 |
2319 |
0.934 |
17 |
20 |
CP |
Carbon monophosphide |
1 |
Σ |
973 |
1226 |
1.260 |
18 |
21 |
PN |
Phosphorus mononitride |
1 |
Σ |
1555 |
1323 |
0.851 |
19 |
22 |
P2 |
Phosphorus diatomic |
1 |
Σg |
896 |
775 |
0.865 |
20 |
23 |
OH |
Hydroxyl radical |
1 |
Σ |
4025 |
3570 |
0.887 |
21 |
24 |
LiO |
lithium oxide |
1 |
Σ |
843 |
799 |
0.948 |
22 |
25 |
BeO |
beryllium oxide |
1 |
Σ |
1682 |
1435 |
0.853 |
23 |
26 |
BO |
boron monoxide |
1 |
Σ |
2042 |
1862 |
0.912 |
24 |
27 |
CO |
Carbon monoxide |
1 |
Σ |
2390 |
2143 |
0.897 |
25 |
28 |
|
|
1 |
Σ |
1667 |
|
|
25 |
29 |
NaO |
sodium monoxide |
1 |
Σ |
487 |
|
|
26 |
30 |
MgO |
magnesium oxide |
1 |
Σ |
735 |
775 |
1.054 |
27 |
31 |
SiO |
Silicon monoxide |
1 |
Σ |
1369 |
1230 |
0.898 |
28 |
32 |
HS |
Mercapto radical |
1 |
Σ |
2837 |
2599 |
0.916 |
29 |
33 |
BeS |
beryllium sulfide |
1 |
Σ |
1052 |
986 |
0.937 |
30 |
34 |
BS |
boron sulfide |
1 |
Σ |
1235 |
1167 |
0.945 |
31 |
35 |
CS |
carbon monosulfide |
1 |
Σ |
1402 |
1272 |
0.907 |
32 |
36 |
SO |
Sulfur monoxide |
1 |
Σ |
1307 |
1138 |
0.870 |
33 |
37 |
|
|
1 |
Σ |
1320 |
1054 |
0.799 |
33 |
38 |
MgS |
magnesium sulfide |
1 |
Σ |
533 |
523 |
0.983 |
34 |
39 |
AlS |
Aluminum sulfide |
1 |
Σ |
606 |
610 |
1.007 |
35 |
40 |
SiS |
silicon monosulfide |
1 |
Σ |
805 |
744 |
0.925 |
36 |
41 |
S2 |
Sulfur diatomic |
1 |
Σg |
807 |
720 |
0.892 |
37 |
42 |
HF |
Hydrogen fluoride |
1 |
Σ |
4437 |
3961 |
0.893 |
38 |
43 |
LiF |
lithium fluoride |
1 |
Σ |
924 |
896 |
0.969 |
39 |
44 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1267 |
|
|
40 |
45 |
CF |
Fluoromethylidyne |
1 |
Σ |
1383 |
1286 |
0.930 |
41 |
46 |
NF |
nitrogen fluoride |
1 |
Σ |
1263 |
1123 |
0.889 |
42 |
47 |
F2 |
Fluorine diatomic |
1 |
Σg |
1264 |
894 |
0.707 |
43 |
48 |
NaF |
sodium fluoride |
1 |
Σ |
524 |
529 |
1.009 |
44 |
49 |
AlF |
Aluminum monofluoride |
1 |
Σ |
783 |
793 |
1.012 |
45 |
50 |
SiF |
silicon monofluoride |
1 |
Σ |
844 |
848 |
1.005 |
46 |
51 |
PF |
phosphorus monofluoride |
1 |
Σ |
852 |
838 |
0.983 |
47 |
52 |
SF |
Monosulfur monofluoride |
1 |
Σ |
892 |
829 |
0.929 |
48 |
53 |
HCl |
Hydrogen chloride |
1 |
Σ |
3128 |
2886 |
0.923 |
49 |
54 |
LiCl |
lithium chloride |
1 |
Σ |
617 |
634 |
1.028 |
50 |
55 |
BeCl |
beryllium monochloride |
1 |
Σ |
839 |
847 |
1.009 |
51 |
56 |
BCl |
boron monochloride |
1 |
Σ |
838 |
829 |
0.990 |
52 |
57 |
CCl |
carbon monochloride |
1 |
Σ |
872 |
866 |
0.993 |
53 |
58 |
ClO |
Monochlorine monoxide |
1 |
Σ |
836 |
843 |
1.007 |
54 |
59 |
NaCl |
Sodium Chloride |
1 |
Σ |
345 |
361 |
1.048 |
55 |
60 |
MgCl |
magnesium monochloride |
1 |
Σ |
449 |
|
|
56 |
61 |
AlCl |
Aluminum monochloride |
1 |
Σ |
464 |
478 |
1.029 |
57 |
62 |
SiCl |
Clorosilylidyne |
1 |
Σ |
520 |
531 |
1.022 |
58 |
63 |
PCl |
phosphorus chloride |
1 |
Σ |
551 |
547 |
0.993 |
59 |
64 |
SCl |
sulfur monochloride |
1 |
Σ |
599 |
577 |
0.963 |
60 |
65 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
621 |
554 |
0.893 |
61 |
66 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2275 |
2159 |
0.949 |
62 |
67 |
|
|
3 |
Πu |
801 |
698 |
0.871 |
62 |
68 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1651 |
1572 |
0.952 |
63 |
69 |
|
|
3 |
Πu |
507 |
440 |
0.868 |
63 |
70 |
BH2 |
boron dihydride |
2 |
A1 |
1099 |
954 |
0.868 |
64 |
71 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1908 |
1770 |
0.928 |
65 |
72 |
|
|
2 |
A1 |
821 |
760 |
0.925 |
65 |
73 |
|
|
3 |
B2 |
1935 |
1807 |
0.934 |
65 |
74 |
SiH2 |
silicon dihydride |
1 |
A1 |
2156 |
1996 |
0.926 |
66 |
75 |
|
|
2 |
A1 |
1097 |
999 |
0.911 |
66 |
76 |
|
|
3 |
B2 |
2158 |
1993 |
0.924 |
66 |
77 |
NH2 |
Amino radical |
1 |
A1 |
3601 |
3219 |
0.894 |
67 |
78 |
|
|
2 |
A1 |
1697 |
1497 |
0.882 |
67 |
79 |
|
|
3 |
B2 |
3698 |
3301 |
0.893 |
67 |
80 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3633 |
3312 |
0.912 |
68 |
81 |
|
|
2 |
Σ |
2383 |
2089 |
0.877 |
68 |
82 |
|
|
3 |
Π |
871 |
712 |
0.818 |
68 |
83 |
PH2 |
Phosphino radical |
1 |
A1 |
2489 |
2310 |
0.928 |
69 |
84 |
|
|
2 |
A1 |
1217 |
1102 |
0.905 |
69 |
85 |
HCP |
Phosphaethyne |
1 |
Σ |
3522 |
3217 |
0.913 |
70 |
86 |
|
|
2 |
Σ |
1433 |
1278 |
0.892 |
70 |
87 |
|
|
3 |
Π |
825 |
674 |
0.817 |
70 |
88 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2325 |
2095 |
0.901 |
71 |
89 |
|
|
2 |
A' |
1336 |
1188 |
0.889 |
71 |
90 |
|
|
3 |
A' |
1090 |
986 |
0.904 |
71 |
91 |
H2O |
Water |
1 |
A1 |
4098 |
3657 |
0.892 |
72 |
92 |
|
|
2 |
A1 |
1820 |
1595 |
0.877 |
72 |
93 |
|
|
3 |
B2 |
4213 |
3756 |
0.891 |
72 |
94 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1265 |
1246 |
0.985 |
73 |
95 |
HBO |
Boron hydride oxide |
1 |
Σ |
3048 |
2850 |
0.935 |
74 |
96 |
|
|
2 |
Σ |
1981 |
1826 |
0.922 |
74 |
97 |
|
|
3 |
Π |
873 |
756 |
0.867 |
74 |
98 |
HCO |
Formyl radical |
1 |
A' |
2893 |
2434 |
0.841 |
75 |
99 |
|
|
2 |
A' |
2087 |
1868 |
0.895 |
75 |
100 |
|
|
3 |
A' |
1238 |
1081 |
0.873 |
75 |
101 |
HNO |
Nitrosyl hydride |
1 |
A' |
3373 |
2684 |
0.796 |
76 |
102 |
|
|
2 |
A' |
1925 |
1565 |
0.813 |
76 |
103 |
|
|
3 |
A' |
1718 |
1501 |
0.874 |
76 |
104 |
HO2 |
Hydroperoxy radical |
1 |
A' |
4050 |
3436 |
0.849 |
77 |
105 |
|
|
2 |
A' |
1611 |
1392 |
0.864 |
77 |
106 |
|
|
3 |
A' |
1261 |
1098 |
0.870 |
77 |
107 |
CO2 |
Carbon dioxide |
1 |
Σg |
1487 |
1333 |
0.897 |
78 |
108 |
|
|
2 |
Σu |
2518 |
2349 |
0.933 |
78 |
109 |
|
|
3 |
Πu |
753 |
667 |
0.886 |
78 |
110 |
N2O |
Nitrous oxide |
1 |
Σ |
2550 |
2224 |
0.872 |
79 |
111 |
|
|
2 |
Σ |
1315 |
1285 |
0.977 |
79 |
112 |
|
|
3 |
Π |
652 |
589 |
0.903 |
79 |
113 |
NaOH |
sodium hydroxide |
1 |
Σ |
4214 |
3637 |
0.863 |
80 |
114 |
|
|
2 |
Σ |
555 |
540 |
0.972 |
80 |
115 |
|
|
3 |
Π |
334 |
300 |
0.897 |
80 |
116 |
SiO2 |
silicon dioxide |
2 |
Σu |
1561 |
1416 |
0.907 |
81 |
117 |
|
|
3 |
Πu |
340 |
273 |
0.801 |
81 |
118 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2857 |
2615 |
0.915 |
82 |
119 |
|
|
2 |
A1 |
1340 |
1183 |
0.883 |
82 |
120 |
|
|
3 |
B2 |
2876 |
2626 |
0.913 |
82 |
121 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2969 |
2736 |
0.922 |
83 |
122 |
|
|
2 |
Σ |
1224 |
1172 |
0.958 |
83 |
123 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2249 |
2062 |
0.917 |
84 |
124 |
|
|
2 |
Σ |
874 |
859 |
0.982 |
84 |
125 |
|
|
3 |
Π |
569 |
520 |
0.913 |
84 |
126 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1333 |
1151 |
0.864 |
85 |
127 |
|
|
2 |
A1 |
584 |
518 |
0.887 |
85 |
128 |
|
|
3 |
B2 |
1523 |
1362 |
0.894 |
85 |
129 |
CS2 |
Carbon disulfide |
1 |
Σg |
714 |
658 |
0.922 |
86 |
130 |
|
|
2 |
Σu |
1548 |
1535 |
0.991 |
86 |
131 |
|
|
3 |
Πu |
448 |
397 |
0.886 |
86 |
132 |
SSO |
Disulfur monoxide |
1 |
A' |
1335 |
1166 |
0.873 |
87 |
133 |
|
|
2 |
A' |
775 |
679 |
0.876 |
87 |
134 |
|
|
3 |
A' |
426 |
380 |
0.892 |
87 |
135 |
HCF |
Fluoromethylene |
1 |
A' |
3081 |
2643 |
0.858 |
88 |
136 |
|
|
2 |
A' |
1558 |
1403 |
0.900 |
88 |
137 |
|
|
3 |
A' |
1306 |
1189 |
0.911 |
88 |
138 |
HOF |
Hypofluorous acid |
1 |
A' |
4091 |
3578 |
0.874 |
89 |
139 |
|
|
2 |
A' |
1600 |
1362 |
0.851 |
89 |
140 |
|
|
3 |
A' |
1179 |
893 |
0.758 |
89 |
141 |
CF2 |
Difluoromethylene |
1 |
A1 |
1368 |
1225 |
0.896 |
90 |
142 |
|
|
2 |
A1 |
727 |
667 |
0.918 |
90 |
143 |
|
|
3 |
B2 |
1276 |
1114 |
0.874 |
90 |
144 |
FNO |
Nitrosyl fluoride |
1 |
A' |
2067 |
1844 |
0.892 |
91 |
145 |
|
|
2 |
A' |
965 |
766 |
0.794 |
91 |
146 |
|
|
3 |
A' |
716 |
520 |
0.727 |
91 |
147 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1264 |
1075 |
0.850 |
92 |
148 |
|
|
2 |
A1 |
651 |
573 |
0.880 |
92 |
149 |
|
|
3 |
B2 |
1186 |
942 |
0.794 |
92 |
150 |
F2O |
Difluorine monoxide |
1 |
A1 |
1213 |
928 |
0.765 |
93 |
151 |
|
|
2 |
A1 |
579 |
461 |
0.796 |
93 |
152 |
|
|
3 |
B2 |
1215 |
831 |
0.684 |
93 |
153 |
HOCl |
hypochlorous acid |
1 |
A' |
4105 |
3609 |
0.879 |
94 |
154 |
|
|
2 |
A' |
1404 |
1239 |
0.882 |
94 |
155 |
|
|
3 |
A' |
858 |
724 |
0.844 |
94 |
156 |
ClCN |
chlorocyanogen |
1 |
Σ |
2545 |
2216 |
0.871 |
95 |
157 |
|
|
2 |
Σ |
794 |
744 |
0.938 |
95 |
158 |
|
|
3 |
Π |
441 |
378 |
0.858 |
95 |
159 |
ClNO |
Nitrosyl chloride |
1 |
A' |
2030 |
1800 |
0.886 |
96 |
160 |
|
|
2 |
A' |
688 |
596 |
0.866 |
96 |
161 |
|
|
3 |
A' |
346 |
332 |
0.960 |
96 |
162 |
OClO |
Chlorine dioxide |
1 |
A1 |
1035 |
946 |
0.913 |
97 |
163 |
|
|
2 |
A1 |
492 |
448 |
0.910 |
97 |
164 |
|
|
3 |
B2 |
1226 |
1110 |
0.905 |
97 |
165 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
762 |
639 |
0.839 |
98 |
166 |
|
|
2 |
A1 |
333 |
296 |
0.889 |
98 |
167 |
|
|
3 |
B2 |
909 |
686 |
0.755 |
98 |
168 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
528 |
522 |
0.988 |
99 |
169 |
|
|
2 |
A1 |
214 |
201 |
0.937 |
99 |
170 |
|
|
3 |
B2 |
516 |
509 |
0.987 |
99 |
171 |
ClS2 |
Sulfur chloride |
1 |
A' |
593 |
662 |
1.116 |
100 |
172 |
|
|
2 |
A' |
539 |
450 |
0.835 |
100 |
173 |
|
|
3 |
A' |
236 |
196 |
0.830 |
100 |
174 |
BH3 |
boron trihydride |
2 |
A2" |
1227 |
1148 |
0.935 |
101 |
175 |
|
|
3 |
E' |
2800 |
2602 |
0.929 |
101 |
176 |
|
|
4 |
E' |
1276 |
1197 |
0.938 |
101 |
177 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1993 |
1900 |
0.953 |
102 |
178 |
|
|
2 |
A2" |
759 |
698 |
0.919 |
102 |
179 |
|
|
3 |
E' |
1993 |
1883 |
0.944 |
102 |
180 |
|
|
4 |
E' |
848 |
783 |
0.924 |
102 |
181 |
C2H2 |
Acetylene |
1 |
Σg |
3679 |
3374 |
0.917 |
103 |
182 |
|
|
2 |
Σg |
2194 |
1974 |
0.900 |
103 |
183 |
|
|
3 |
Σu |
3570 |
3289 |
0.921 |
103 |
184 |
|
|
4 |
Πg |
837 |
612 |
0.731 |
103 |
185 |
|
|
5 |
Πu |
892 |
730 |
0.819 |
103 |
186 |
SiH3 |
Silyl radical |
1 |
A1 |
2292 |
2136 |
0.932 |
104 |
187 |
|
|
2 |
A1 |
878 |
728 |
0.829 |
104 |
188 |
|
|
3 |
E |
2322 |
2185 |
0.941 |
104 |
189 |
|
|
4 |
E |
1003 |
922 |
0.919 |
104 |
190 |
NH3 |
Ammonia |
1 |
A1 |
3684 |
3337 |
0.906 |
105 |
191 |
|
|
2 |
A1 |
1223 |
950 |
0.777 |
105 |
192 |
|
|
3 |
E |
3812 |
3444 |
0.904 |
105 |
193 |
|
|
4 |
E |
1857 |
1627 |
0.876 |
105 |
194 |
C2N2 |
Cyanogen |
1 |
Σg |
2682 |
2330 |
0.869 |
106 |
195 |
|
|
2 |
Σg |
903 |
846 |
0.936 |
106 |
196 |
|
|
3 |
Σu |
2490 |
2158 |
0.867 |
106 |
197 |
|
|
4 |
Πg |
597 |
503 |
0.842 |
106 |
198 |
|
|
5 |
Πu |
274 |
234 |
0.853 |
106 |
199 |
PH3 |
Phosphine |
1 |
A1 |
2511 |
2323 |
0.925 |
107 |
200 |
|
|
2 |
A1 |
1109 |
992 |
0.895 |
107 |
201 |
|
|
3 |
E |
2527 |
2328 |
0.921 |
107 |
202 |
|
|
4 |
E |
1230 |
1118 |
0.909 |
107 |
203 |
P4 |
Phosphorus tetramer |
1 |
A1 |
675 |
601 |
0.890 |
108 |
204 |
|
|
2 |
E |
393 |
361 |
0.917 |
108 |
205 |
|
|
3 |
T2 |
505 |
467 |
0.925 |
108 |
206 |
H2CO |
Formaldehyde |
1 |
A1 |
3139 |
2782 |
0.886 |
109 |
207 |
|
|
2 |
A1 |
1975 |
1746 |
0.884 |
109 |
208 |
|
|
3 |
A1 |
1658 |
1500 |
0.904 |
109 |
209 |
|
|
4 |
B1 |
1330 |
1167 |
0.878 |
109 |
210 |
|
|
5 |
B2 |
3217 |
2843 |
0.884 |
109 |
211 |
|
|
6 |
B2 |
1367 |
1249 |
0.914 |
109 |
212 |
H2O2 |
Hydrogen peroxide |
1 |
A |
4118 |
3599 |
0.874 |
110 |
213 |
|
|
2 |
A |
1621 |
1402 |
0.865 |
110 |
214 |
|
|
3 |
A |
1159 |
877 |
0.757 |
110 |
215 |
|
|
4 |
A |
421 |
371 |
0.882 |
110 |
216 |
|
|
5 |
B |
4119 |
3608 |
0.876 |
110 |
217 |
|
|
6 |
B |
1486 |
1266 |
0.852 |
110 |
218 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2288 |
2060 |
0.900 |
111 |
219 |
|
|
2 |
Σg |
627 |
585 |
0.933 |
111 |
220 |
|
|
3 |
Σu |
2092 |
1898 |
0.907 |
111 |
221 |
|
|
4 |
Πg |
542 |
410 |
0.757 |
111 |
222 |
|
|
5 |
Πu |
238 |
213 |
0.896 |
111 |
223 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3268 |
2971 |
0.909 |
112 |
224 |
|
|
2 |
A1 |
1635 |
1456 |
0.890 |
112 |
225 |
|
|
3 |
A1 |
1155 |
1059 |
0.917 |
112 |
226 |
|
|
4 |
B1 |
1144 |
990 |
0.865 |
112 |
227 |
|
|
5 |
B2 |
3365 |
3025 |
0.899 |
112 |
228 |
|
|
6 |
B2 |
1076 |
991 |
0.921 |
112 |
229 |
H2S2 |
Disulfane |
1 |
A |
2842 |
2556 |
0.899 |
113 |
230 |
|
|
2 |
A |
990 |
882 |
0.891 |
113 |
231 |
|
|
3 |
A |
570 |
515 |
0.902 |
113 |
232 |
|
|
4 |
A |
449 |
417 |
0.929 |
113 |
233 |
|
|
5 |
B |
2843 |
2559 |
0.900 |
113 |
234 |
|
|
6 |
B |
992 |
878 |
0.885 |
113 |
235 |
SO3 |
Sulfur trioxide |
1 |
A1' |
1188 |
1065 |
0.897 |
114 |
236 |
|
|
2 |
A2" |
554 |
498 |
0.898 |
114 |
237 |
|
|
3 |
E' |
1514 |
1391 |
0.918 |
114 |
238 |
|
|
4 |
E' |
569 |
530 |
0.931 |
114 |
239 |
BHF2 |
Difluoroborane |
1 |
A1 |
2852 |
2621 |
0.919 |
115 |
240 |
|
|
2 |
A1 |
1224 |
1164 |
0.951 |
115 |
241 |
|
|
3 |
A1 |
569 |
542 |
0.953 |
115 |
242 |
|
|
4 |
B1 |
1002 |
924 |
0.922 |
115 |
243 |
|
|
5 |
B2 |
1499 |
1402 |
0.935 |
115 |
244 |
CF2O |
Carbonic difluoride |
1 |
A1 |
2136 |
1928 |
0.903 |
116 |
245 |
|
|
2 |
A1 |
1084 |
965 |
0.891 |
116 |
246 |
|
|
3 |
A1 |
631 |
584 |
0.926 |
116 |
247 |
|
|
4 |
B1 |
864 |
774 |
0.896 |
116 |
248 |
|
|
5 |
B2 |
1437 |
1249 |
0.869 |
116 |
249 |
|
|
6 |
B2 |
676 |
626 |
0.926 |
116 |
250 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
941 |
888 |
0.943 |
117 |
251 |
|
|
2 |
A2" |
737 |
691 |
0.938 |
117 |
252 |
|
|
3 |
E' |
1559 |
1449 |
0.930 |
117 |
253 |
|
|
4 |
E' |
508 |
480 |
0.944 |
117 |
254 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1920 |
1523 |
0.793 |
118 |
255 |
|
|
2 |
Ag |
1280 |
1018 |
0.796 |
118 |
256 |
|
|
3 |
Ag |
707 |
603 |
0.853 |
118 |
257 |
|
|
4 |
Au |
427 |
364 |
0.853 |
118 |
258 |
|
|
5 |
Bu |
1222 |
991 |
0.811 |
118 |
259 |
|
|
6 |
Bu |
481 |
423 |
0.880 |
118 |
260 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1205 |
1089 |
0.903 |
119 |
261 |
|
|
2 |
A1 |
755 |
701 |
0.928 |
119 |
262 |
|
|
3 |
E |
1416 |
1260 |
0.890 |
119 |
263 |
|
|
4 |
E |
548 |
509 |
0.928 |
119 |
264 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1237 |
1032 |
0.834 |
120 |
265 |
|
|
2 |
A1 |
756 |
647 |
0.855 |
120 |
266 |
|
|
3 |
E |
1223 |
907 |
0.742 |
120 |
267 |
|
|
4 |
E |
579 |
492 |
0.849 |
120 |
268 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
706 |
690 |
0.977 |
121 |
269 |
|
|
2 |
A2" |
323 |
297 |
0.920 |
121 |
270 |
|
|
3 |
E' |
977 |
935 |
0.957 |
121 |
271 |
|
|
4 |
E' |
263 |
263 |
0.999 |
121 |
272 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
931 |
892 |
0.958 |
122 |
273 |
|
|
2 |
A1 |
507 |
487 |
0.961 |
122 |
274 |
|
|
3 |
E |
895 |
860 |
0.961 |
122 |
275 |
|
|
4 |
E |
365 |
344 |
0.944 |
122 |
276 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2861 |
2617 |
0.915 |
123 |
277 |
|
|
2 |
A1 |
757 |
740 |
0.978 |
123 |
278 |
|
|
4 |
B1 |
843 |
784 |
0.930 |
123 |
279 |
|
|
5 |
B2 |
1179 |
1089 |
0.924 |
123 |
280 |
|
|
6 |
B2 |
934 |
892 |
0.955 |
123 |
281 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1510 |
1267 |
0.839 |
124 |
282 |
|
|
2 |
A1 |
926 |
793 |
0.856 |
124 |
283 |
|
|
3 |
A1 |
522 |
364 |
0.696 |
124 |
284 |
|
|
4 |
B1 |
762 |
652 |
0.855 |
124 |
285 |
|
|
5 |
B2 |
1830 |
1684 |
0.920 |
124 |
286 |
|
|
6 |
B2 |
481 |
408 |
0.849 |
124 |
287 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
915 |
752 |
0.822 |
125 |
288 |
|
|
2 |
A1 |
625 |
529 |
0.846 |
125 |
289 |
|
|
3 |
A1 |
383 |
328 |
0.857 |
125 |
290 |
|
|
4 |
B1 |
371 |
328 |
0.883 |
125 |
291 |
|
|
5 |
B2 |
743 |
702 |
0.944 |
125 |
292 |
|
|
6 |
B2 |
487 |
442 |
0.907 |
125 |
293 |
CCl2O |
Phosgene |
1 |
A1 |
2030 |
1827 |
0.900 |
126 |
294 |
|
|
2 |
A1 |
629 |
567 |
0.901 |
126 |
295 |
|
|
3 |
A1 |
322 |
285 |
0.885 |
126 |
296 |
|
|
4 |
B1 |
639 |
580 |
0.907 |
126 |
297 |
|
|
5 |
B2 |
981 |
849 |
0.865 |
126 |
298 |
|
|
6 |
B2 |
491 |
440 |
0.896 |
126 |
299 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
843 |
820 |
0.972 |
127 |
300 |
|
|
2 |
A1 |
522 |
500 |
0.959 |
127 |
301 |
|
|
3 |
A1 |
250 |
250 |
1.000 |
127 |
302 |
|
|
4 |
B1 |
283 |
260 |
0.917 |
127 |
303 |
|
|
5 |
B2 |
965 |
900 |
0.933 |
127 |
304 |
|
|
6 |
B2 |
195 |
200 |
1.026 |
127 |
305 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
488 |
471 |
0.964 |
128 |
306 |
|
|
2 |
A2" |
477 |
460 |
0.964 |
128 |
307 |
|
|
3 |
E' |
996 |
956 |
0.960 |
128 |
308 |
|
|
4 |
E' |
269 |
243 |
0.903 |
128 |
309 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
900 |
850 |
0.945 |
129 |
310 |
|
|
2 |
A1 |
447 |
450 |
1.006 |
129 |
311 |
|
|
3 |
A1 |
160 |
150 |
0.940 |
129 |
312 |
|
|
4 |
B1 |
248 |
220 |
0.886 |
129 |
313 |
|
|
5 |
B2 |
647 |
610 |
0.943 |
129 |
314 |
|
|
6 |
B2 |
215 |
200 |
0.929 |
129 |
315 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
394 |
375 |
0.951 |
130 |
316 |
|
|
2 |
A2" |
216 |
183 |
0.845 |
130 |
317 |
|
|
3 |
E' |
632 |
595 |
0.941 |
130 |
318 |
|
|
4 |
E' |
155 |
150 |
0.966 |
130 |
319 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
546 |
504 |
0.924 |
131 |
320 |
|
|
2 |
A1 |
277 |
252 |
0.910 |
131 |
321 |
|
|
3 |
E |
542 |
482 |
0.889 |
131 |
322 |
|
|
4 |
E |
201 |
198 |
0.986 |
131 |
323 |
CH4 |
Methane |
1 |
A1 |
3166 |
2917 |
0.921 |
132 |
324 |
|
|
2 |
E |
1685 |
1534 |
0.910 |
132 |
325 |
|
|
3 |
T2 |
3278 |
3019 |
0.921 |
132 |
326 |
|
|
4 |
T2 |
1471 |
1306 |
0.888 |
132 |
327 |
SiH4 |
Silane |
1 |
A1 |
2321 |
2187 |
0.942 |
133 |
328 |
|
|
2 |
E |
1038 |
975 |
0.940 |
133 |
329 |
|
|
3 |
T2 |
2328 |
2191 |
0.941 |
133 |
330 |
|
|
4 |
T2 |
1000 |
914 |
0.914 |
133 |
331 |
CH2NH |
Methanimine |
1 |
A' |
3711 |
3263 |
0.879 |
134 |
332 |
|
|
2 |
A' |
3329 |
3024 |
0.908 |
134 |
333 |
|
|
3 |
A' |
3224 |
2914 |
0.904 |
134 |
334 |
|
|
4 |
A' |
1850 |
1638 |
0.885 |
134 |
335 |
|
|
5 |
A' |
1607 |
1452 |
0.903 |
134 |
336 |
|
|
6 |
A' |
1495 |
1344 |
0.899 |
134 |
337 |
|
|
7 |
A' |
1157 |
1058 |
0.914 |
134 |
338 |
|
|
8 |
A" |
1261 |
1127 |
0.894 |
134 |
339 |
|
|
9 |
A" |
1216 |
1061 |
0.872 |
134 |
340 |
CH2CO |
Ketene |
1 |
A1 |
3342 |
3070 |
0.919 |
135 |
341 |
|
|
2 |
A1 |
2310 |
2152 |
0.932 |
135 |
342 |
|
|
3 |
A1 |
1538 |
1388 |
0.902 |
135 |
343 |
|
|
4 |
A1 |
1233 |
1118 |
0.907 |
135 |
344 |
|
|
5 |
B1 |
696 |
588 |
0.844 |
135 |
345 |
|
|
6 |
B1 |
606 |
528 |
0.871 |
135 |
346 |
|
|
7 |
B2 |
3454 |
3166 |
0.917 |
135 |
347 |
|
|
8 |
B2 |
1100 |
977 |
0.888 |
135 |
348 |
|
|
9 |
B2 |
484 |
433 |
0.894 |
135 |
349 |
HCOOH |
Formic acid |
1 |
A' |
4072 |
3570 |
0.877 |
136 |
350 |
|
|
2 |
A' |
3301 |
2943 |
0.892 |
136 |
351 |
|
|
3 |
A' |
1978 |
1770 |
0.895 |
136 |
352 |
|
|
4 |
A' |
1534 |
1387 |
0.904 |
136 |
353 |
|
|
5 |
A' |
1420 |
1229 |
0.865 |
136 |
354 |
|
|
6 |
A' |
1257 |
1105 |
0.879 |
136 |
355 |
|
|
7 |
A' |
682 |
625 |
0.916 |
136 |
356 |
|
|
8 |
A" |
1179 |
1033 |
0.876 |
136 |
357 |
|
|
9 |
A" |
703 |
638 |
0.907 |
136 |
358 |
HNO3 |
Nitric acid |
1 |
A' |
4062 |
3550 |
0.874 |
137 |
359 |
|
|
2 |
A' |
1917 |
1708 |
0.891 |
137 |
360 |
|
|
3 |
A' |
1575 |
1331 |
0.845 |
137 |
361 |
|
|
4 |
A' |
1491 |
1325 |
0.889 |
137 |
362 |
|
|
5 |
A' |
1128 |
879 |
0.779 |
137 |
363 |
|
|
6 |
A' |
768 |
647 |
0.842 |
137 |
364 |
|
|
7 |
A' |
672 |
579 |
0.861 |
137 |
365 |
|
|
8 |
A" |
880 |
762 |
0.866 |
137 |
366 |
|
|
9 |
A" |
542 |
456 |
0.842 |
137 |
367 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2419 |
2196 |
0.908 |
138 |
368 |
|
|
2 |
Σg |
827 |
786 |
0.951 |
138 |
369 |
|
|
3 |
Σu |
2392 |
2258 |
0.944 |
138 |
370 |
|
|
4 |
Σu |
1772 |
1573 |
0.888 |
138 |
371 |
|
|
5 |
Πg |
668 |
573 |
0.857 |
138 |
372 |
|
|
6 |
Πu |
704 |
550 |
0.781 |
138 |
373 |
|
|
7 |
Πu |
164 |
61 |
0.371 |
138 |
374 |
CH3F |
Methyl fluoride |
1 |
A1 |
3216 |
2930 |
0.911 |
139 |
375 |
|
|
2 |
A1 |
1625 |
1464 |
0.901 |
139 |
376 |
|
|
3 |
A1 |
1165 |
1049 |
0.901 |
139 |
377 |
|
|
4 |
E |
3311 |
3006 |
0.908 |
139 |
378 |
|
|
5 |
E |
1632 |
1467 |
0.899 |
139 |
379 |
|
|
6 |
E |
1303 |
1182 |
0.907 |
139 |
380 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3283 |
2948 |
0.898 |
140 |
381 |
|
|
2 |
A1 |
1680 |
1508 |
0.898 |
140 |
382 |
|
|
3 |
A1 |
1226 |
1111 |
0.907 |
140 |
383 |
|
|
4 |
A1 |
571 |
529 |
0.925 |
140 |
384 |
|
|
5 |
A2 |
1391 |
1262 |
0.907 |
140 |
385 |
|
|
6 |
B1 |
3364 |
3014 |
0.896 |
140 |
386 |
|
|
7 |
B1 |
1293 |
1178 |
0.911 |
140 |
387 |
|
|
8 |
B2 |
1609 |
1435 |
0.892 |
140 |
388 |
|
|
9 |
B2 |
1231 |
1090 |
0.885 |
140 |
389 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3381 |
3036 |
0.898 |
141 |
390 |
|
|
2 |
A1 |
1248 |
1117 |
0.895 |
141 |
391 |
|
|
3 |
A1 |
757 |
700 |
0.924 |
141 |
392 |
|
|
4 |
E |
1548 |
1372 |
0.886 |
141 |
393 |
|
|
5 |
E |
1306 |
1152 |
0.882 |
141 |
394 |
|
|
6 |
E |
548 |
507 |
0.925 |
141 |
395 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
999 |
909 |
0.910 |
142 |
396 |
|
|
2 |
E |
470 |
435 |
0.925 |
142 |
397 |
|
|
3 |
T2 |
1448 |
1283 |
0.886 |
142 |
398 |
|
|
4 |
T2 |
681 |
631 |
0.927 |
142 |
399 |
SiH3F |
monofluorosilane |
1 |
A1 |
2358 |
2206 |
0.935 |
143 |
400 |
|
|
2 |
A1 |
1060 |
990 |
0.934 |
143 |
401 |
|
|
3 |
A1 |
890 |
872 |
0.979 |
143 |
402 |
|
|
4 |
E |
2364 |
2196 |
0.929 |
143 |
403 |
|
|
5 |
E |
1033 |
956 |
0.926 |
143 |
404 |
|
|
6 |
E |
775 |
728 |
0.940 |
143 |
405 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
816 |
800 |
0.981 |
144 |
406 |
|
|
2 |
E |
259 |
268 |
1.034 |
144 |
407 |
|
|
3 |
T2 |
1063 |
1032 |
0.971 |
144 |
408 |
|
|
4 |
T2 |
391 |
389 |
0.995 |
144 |
409 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1479 |
1417 |
0.958 |
145 |
410 |
|
|
2 |
A1 |
913 |
873 |
0.956 |
145 |
411 |
|
|
3 |
A1 |
494 |
472 |
0.955 |
145 |
412 |
|
|
4 |
E |
1033 |
991 |
0.959 |
145 |
413 |
|
|
5 |
E |
489 |
482 |
0.986 |
145 |
414 |
|
|
6 |
E |
340 |
336 |
0.988 |
145 |
415 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3243 |
2966 |
0.915 |
146 |
416 |
|
|
2 |
A1 |
1522 |
1355 |
0.890 |
146 |
417 |
|
|
3 |
A1 |
782 |
732 |
0.936 |
146 |
418 |
|
|
4 |
E |
3356 |
3042 |
0.906 |
146 |
419 |
|
|
5 |
E |
1615 |
1455 |
0.901 |
146 |
420 |
|
|
6 |
E |
1124 |
1015 |
0.903 |
146 |
421 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2355 |
2201 |
0.935 |
147 |
422 |
|
|
2 |
A1 |
1023 |
949 |
0.928 |
147 |
423 |
|
|
3 |
A1 |
556 |
551 |
0.991 |
147 |
424 |
|
|
4 |
E |
2370 |
2195 |
0.926 |
147 |
425 |
|
|
5 |
E |
1026 |
954 |
0.930 |
147 |
426 |
|
|
6 |
E |
703 |
664 |
0.944 |
147 |
427 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3318 |
2999 |
0.904 |
148 |
428 |
|
|
2 |
A1 |
1605 |
1467 |
0.914 |
148 |
429 |
|
|
3 |
A1 |
774 |
717 |
0.926 |
148 |
430 |
|
|
4 |
A1 |
304 |
282 |
0.928 |
148 |
431 |
|
|
5 |
A2 |
1292 |
1153 |
0.893 |
148 |
432 |
|
|
6 |
B1 |
3408 |
3040 |
0.892 |
148 |
433 |
|
|
7 |
B1 |
987 |
898 |
0.910 |
148 |
434 |
|
|
8 |
B2 |
1435 |
1268 |
0.883 |
148 |
435 |
|
|
9 |
B2 |
847 |
758 |
0.895 |
148 |
436 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1249 |
1105 |
0.885 |
149 |
437 |
|
|
2 |
A1 |
858 |
781 |
0.910 |
149 |
438 |
|
|
3 |
A1 |
518 |
476 |
0.918 |
149 |
439 |
|
|
4 |
E |
1389 |
1212 |
0.872 |
149 |
440 |
|
|
5 |
E |
605 |
563 |
0.930 |
149 |
441 |
|
|
6 |
E |
375 |
350 |
0.934 |
149 |
442 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2393 |
2224 |
0.929 |
150 |
443 |
|
|
2 |
A1 |
1024 |
954 |
0.932 |
150 |
444 |
|
|
3 |
A1 |
540 |
527 |
0.977 |
150 |
445 |
|
|
4 |
A1 |
197 |
188 |
0.956 |
150 |
446 |
|
|
5 |
A2 |
761 |
710 |
0.933 |
150 |
447 |
|
|
6 |
B1 |
2411 |
2237 |
0.928 |
150 |
448 |
|
|
7 |
B1 |
635 |
602 |
0.948 |
150 |
449 |
|
|
8 |
B2 |
942 |
876 |
0.930 |
150 |
450 |
|
|
9 |
B2 |
600 |
590 |
0.984 |
150 |
451 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
1067 |
1061 |
0.995 |
151 |
452 |
|
|
2 |
A1 |
833 |
715 |
0.859 |
151 |
453 |
|
|
3 |
A1 |
586 |
549 |
0.937 |
151 |
454 |
|
|
4 |
E |
1300 |
1315 |
1.011 |
151 |
455 |
|
|
5 |
E |
607 |
589 |
0.971 |
151 |
456 |
|
|
6 |
E |
417 |
405 |
0.972 |
151 |
457 |
CHCl3 |
Chloroform |
1 |
A1 |
3393 |
3034 |
0.894 |
152 |
458 |
|
|
2 |
A1 |
728 |
680 |
0.934 |
152 |
459 |
|
|
3 |
A1 |
395 |
366 |
0.926 |
152 |
460 |
|
|
4 |
E |
1379 |
1220 |
0.884 |
152 |
461 |
|
|
5 |
E |
880 |
774 |
0.880 |
152 |
462 |
|
|
6 |
E |
281 |
260 |
0.926 |
152 |
463 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1260 |
1101 |
0.874 |
153 |
464 |
|
|
2 |
A1 |
729 |
667 |
0.915 |
153 |
465 |
|
|
3 |
A1 |
498 |
458 |
0.920 |
153 |
466 |
|
|
4 |
A1 |
282 |
262 |
0.930 |
153 |
467 |
|
|
5 |
A2 |
349 |
322 |
0.922 |
153 |
468 |
|
|
6 |
B1 |
1039 |
902 |
0.868 |
153 |
469 |
|
|
7 |
B1 |
475 |
437 |
0.920 |
153 |
470 |
|
|
8 |
B2 |
1338 |
1159 |
0.866 |
153 |
471 |
|
|
9 |
B2 |
467 |
446 |
0.954 |
153 |
472 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1253 |
1085 |
0.866 |
154 |
473 |
|
|
2 |
A1 |
582 |
535 |
0.919 |
154 |
474 |
|
|
3 |
A1 |
377 |
350 |
0.929 |
154 |
475 |
|
|
4 |
E |
972 |
847 |
0.872 |
154 |
476 |
|
|
5 |
E |
433 |
394 |
0.909 |
154 |
477 |
|
|
6 |
E |
264 |
241 |
0.911 |
154 |
478 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1259 |
1205 |
0.957 |
155 |
479 |
|
|
2 |
A1 |
627 |
577 |
0.920 |
155 |
480 |
|
|
3 |
A1 |
447 |
408 |
0.914 |
155 |
481 |
|
|
4 |
A1 |
226 |
218 |
0.963 |
155 |
482 |
|
|
5 |
A2 |
295 |
282 |
0.955 |
155 |
483 |
|
|
6 |
B1 |
671 |
586 |
0.873 |
155 |
484 |
|
|
7 |
B1 |
427 |
388 |
0.909 |
155 |
485 |
|
|
8 |
B2 |
1498 |
1434 |
0.957 |
155 |
486 |
|
|
9 |
B2 |
388 |
362 |
0.933 |
155 |
487 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2437 |
2261 |
0.928 |
156 |
488 |
|
|
2 |
A1 |
508 |
499 |
0.982 |
156 |
489 |
|
|
3 |
A1 |
264 |
254 |
0.962 |
156 |
490 |
|
|
4 |
E |
862 |
811 |
0.941 |
156 |
491 |
|
|
5 |
E |
616 |
600 |
0.974 |
156 |
492 |
|
|
6 |
E |
184 |
176 |
0.958 |
156 |
493 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
497 |
459 |
0.923 |
157 |
494 |
|
|
2 |
E |
237 |
217 |
0.917 |
157 |
495 |
|
|
3 |
T2 |
910 |
776 |
0.853 |
157 |
496 |
|
|
4 |
T2 |
340 |
314 |
0.925 |
157 |
497 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1378 |
1322 |
0.960 |
158 |
498 |
|
|
2 |
A1 |
511 |
481 |
0.942 |
158 |
499 |
|
|
3 |
A1 |
278 |
266 |
0.956 |
158 |
500 |
|
|
4 |
E |
630 |
590 |
0.936 |
158 |
501 |
|
|
5 |
E |
354 |
333 |
0.941 |
158 |
502 |
|
|
6 |
E |
198 |
187 |
0.944 |
158 |
503 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
434 |
424 |
0.976 |
159 |
504 |
|
|
2 |
E |
154 |
150 |
0.972 |
159 |
505 |
|
|
3 |
T2 |
636 |
621 |
0.976 |
159 |
506 |
|
|
4 |
T2 |
232 |
221 |
0.954 |
159 |
507 |
C2H4 |
Ethylene |
1 |
Ag |
3313 |
3026 |
0.914 |
160 |
508 |
|
|
2 |
Ag |
1806 |
1623 |
0.898 |
160 |
509 |
|
|
3 |
Ag |
1464 |
1342 |
0.917 |
160 |
510 |
|
|
4 |
Au |
1134 |
1023 |
0.902 |
160 |
511 |
|
|
5 |
B1u |
3291 |
2989 |
0.908 |
160 |
512 |
|
|
6 |
B1u |
1586 |
1444 |
0.910 |
160 |
513 |
|
|
7 |
B2g |
1074 |
940 |
0.875 |
160 |
514 |
|
|
8 |
B2u |
3402 |
3105 |
0.913 |
160 |
515 |
|
|
9 |
B2u |
880 |
826 |
0.938 |
160 |
516 |
|
|
10 |
B3g |
3374 |
3086 |
0.915 |
160 |
517 |
|
|
11 |
B3g |
1334 |
1217 |
0.913 |
160 |
518 |
|
|
12 |
B3u |
1078 |
949 |
0.880 |
160 |
519 |
C3H3 |
Propargyl radical |
1 |
A1 |
3597 |
3322 |
0.924 |
161 |
520 |
|
|
6 |
B1 |
647 |
687 |
1.062 |
161 |
521 |
|
|
7 |
B1 |
570 |
490 |
0.859 |
161 |
522 |
N2H4 |
Hydrazine |
1 |
A |
3809 |
3398 |
0.892 |
162 |
523 |
|
|
2 |
A |
3712 |
3329 |
0.897 |
162 |
524 |
|
|
3 |
A |
1876 |
1642 |
0.875 |
162 |
525 |
|
|
4 |
A |
1463 |
1275 |
0.872 |
162 |
526 |
|
|
5 |
A |
1213 |
1076 |
0.887 |
162 |
527 |
|
|
6 |
A |
1001 |
780 |
0.779 |
162 |
528 |
|
|
7 |
A |
471 |
377 |
0.800 |
162 |
529 |
|
|
8 |
B |
3815 |
3350 |
0.878 |
162 |
530 |
|
|
9 |
B |
3701 |
3314 |
0.895 |
162 |
531 |
|
|
10 |
B |
1853 |
1628 |
0.878 |
162 |
532 |
|
|
11 |
B |
1427 |
1275 |
0.893 |
162 |
533 |
|
|
12 |
B |
1118 |
966 |
0.864 |
162 |
534 |
CH3CN |
Acetonitrile |
1 |
A1 |
3226 |
2954 |
0.916 |
163 |
535 |
|
|
2 |
A1 |
2562 |
2267 |
0.885 |
163 |
536 |
|
|
3 |
A1 |
1542 |
1385 |
0.898 |
163 |
537 |
|
|
4 |
A1 |
950 |
920 |
0.969 |
163 |
538 |
|
|
5 |
E |
3315 |
3009 |
0.908 |
163 |
539 |
|
|
6 |
E |
1608 |
1448 |
0.901 |
163 |
540 |
|
|
7 |
E |
1161 |
1041 |
0.896 |
163 |
541 |
|
|
8 |
E |
416 |
362 |
0.871 |
163 |
542 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2646 |
2290 |
0.865 |
164 |
543 |
|
|
2 |
Σg |
2432 |
2119 |
0.871 |
164 |
544 |
|
|
3 |
Σg |
626 |
692 |
1.105 |
164 |
545 |
|
|
4 |
Σu |
2581 |
2241 |
0.868 |
164 |
546 |
|
|
5 |
Σu |
1195 |
1154 |
0.966 |
164 |
547 |
|
|
6 |
Πg |
743 |
504 |
0.679 |
164 |
548 |
|
|
7 |
Πg |
351 |
263 |
0.749 |
164 |
549 |
|
|
8 |
Πu |
568 |
472 |
0.831 |
164 |
550 |
|
|
9 |
Πu |
144 |
107 |
0.743 |
164 |
551 |
CH3OH |
Methyl alcohol |
1 |
A' |
4146 |
3681 |
0.888 |
165 |
552 |
|
|
2 |
A' |
3295 |
3000 |
0.910 |
165 |
553 |
|
|
3 |
A' |
3170 |
2844 |
0.897 |
165 |
554 |
|
|
4 |
A' |
1644 |
1477 |
0.898 |
165 |
555 |
|
|
5 |
A' |
1617 |
1455 |
0.900 |
165 |
556 |
|
|
6 |
A' |
1493 |
1345 |
0.901 |
165 |
557 |
|
|
7 |
A' |
1170 |
1060 |
0.906 |
165 |
558 |
|
|
8 |
A' |
1149 |
1033 |
0.899 |
165 |
559 |
|
|
9 |
A" |
3225 |
2960 |
0.918 |
165 |
560 |
|
|
10 |
A" |
1633 |
1477 |
0.904 |
165 |
561 |
|
|
11 |
A" |
1276 |
1165 |
0.913 |
165 |
562 |
|
|
12 |
A" |
345 |
200 |
0.580 |
165 |
563 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3212 |
2843 |
0.885 |
166 |
564 |
|
|
2 |
Ag |
2011 |
1745 |
0.868 |
166 |
565 |
|
|
3 |
Ag |
1495 |
1338 |
0.895 |
166 |
566 |
|
|
4 |
Ag |
1176 |
1065 |
0.906 |
166 |
567 |
|
|
5 |
Ag |
601 |
551 |
0.918 |
166 |
568 |
|
|
6 |
Au |
899 |
801 |
0.891 |
166 |
569 |
|
|
7 |
Au |
142 |
127 |
0.897 |
166 |
570 |
|
|
8 |
Bg |
1180 |
1048 |
0.888 |
166 |
571 |
|
|
9 |
Bu |
3211 |
2835 |
0.883 |
166 |
572 |
|
|
10 |
Bu |
1963 |
1732 |
0.883 |
166 |
573 |
|
|
11 |
Bu |
1447 |
1312 |
0.907 |
166 |
574 |
|
|
12 |
Bu |
368 |
339 |
0.922 |
166 |
575 |
CH3SH |
Methanethiol |
1 |
A' |
3310 |
3000 |
0.906 |
167 |
576 |
|
|
2 |
A' |
3215 |
2931 |
0.912 |
167 |
577 |
|
|
3 |
A' |
2849 |
2597 |
0.912 |
167 |
578 |
|
|
4 |
A' |
1621 |
1475 |
0.910 |
167 |
579 |
|
|
5 |
A' |
1504 |
1335 |
0.888 |
167 |
580 |
|
|
6 |
A' |
1202 |
1074 |
0.893 |
167 |
581 |
|
|
7 |
A' |
856 |
803 |
0.939 |
167 |
582 |
|
|
8 |
A' |
773 |
708 |
0.916 |
167 |
583 |
|
|
9 |
A" |
3310 |
3000 |
0.906 |
167 |
584 |
|
|
10 |
A" |
1610 |
1430 |
0.888 |
167 |
585 |
|
|
11 |
A" |
1062 |
976 |
0.919 |
167 |
586 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3435 |
3115 |
0.907 |
168 |
587 |
|
|
2 |
A' |
3404 |
3080 |
0.905 |
168 |
588 |
|
|
3 |
A' |
3331 |
3052 |
0.916 |
168 |
589 |
|
|
4 |
A' |
1838 |
1654 |
0.900 |
168 |
590 |
|
|
5 |
A' |
1531 |
1380 |
0.901 |
168 |
591 |
|
|
6 |
A' |
1431 |
1306 |
0.912 |
168 |
592 |
|
|
7 |
A' |
1270 |
1156 |
0.910 |
168 |
593 |
|
|
8 |
A' |
1017 |
929 |
0.913 |
168 |
594 |
|
|
9 |
A' |
514 |
483 |
0.939 |
168 |
595 |
|
|
10 |
A" |
1067 |
940 |
0.881 |
168 |
596 |
|
|
11 |
A" |
1001 |
863 |
0.862 |
168 |
597 |
|
|
12 |
A" |
786 |
711 |
0.904 |
168 |
598 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3358 |
3070 |
0.914 |
169 |
599 |
|
|
2 |
A1 |
1906 |
1728 |
0.907 |
169 |
600 |
|
|
3 |
A1 |
1530 |
1360 |
0.889 |
169 |
601 |
|
|
4 |
A1 |
1015 |
926 |
0.912 |
169 |
602 |
|
|
5 |
A1 |
590 |
550 |
0.932 |
169 |
603 |
|
|
6 |
A2 |
787 |
714 |
0.908 |
169 |
604 |
|
|
7 |
B1 |
945 |
803 |
0.850 |
169 |
605 |
|
|
8 |
B1 |
684 |
611 |
0.893 |
169 |
606 |
|
|
9 |
B2 |
3467 |
3154 |
0.910 |
169 |
607 |
|
|
10 |
B2 |
1464 |
1302 |
0.889 |
169 |
608 |
|
|
11 |
B2 |
1052 |
955 |
0.908 |
169 |
609 |
|
|
12 |
B2 |
466 |
438 |
0.941 |
169 |
610 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2608 |
2275 |
0.872 |
170 |
611 |
|
|
2 |
A1 |
1356 |
1227 |
0.905 |
170 |
612 |
|
|
3 |
A1 |
883 |
802 |
0.908 |
170 |
613 |
|
|
4 |
A1 |
559 |
522 |
0.933 |
170 |
614 |
|
|
5 |
E |
1396 |
1214 |
0.869 |
170 |
615 |
|
|
6 |
E |
686 |
618 |
0.901 |
170 |
616 |
|
|
7 |
E |
512 |
463 |
0.904 |
170 |
617 |
|
|
8 |
E |
219 |
196 |
0.896 |
170 |
618 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
2108 |
1872 |
0.888 |
171 |
619 |
|
|
2 |
Ag |
863 |
778 |
0.901 |
171 |
620 |
|
|
3 |
Ag |
428 |
394 |
0.921 |
171 |
621 |
|
|
4 |
Au |
223 |
190 |
0.853 |
171 |
622 |
|
|
5 |
B1u |
1291 |
1186 |
0.919 |
171 |
623 |
|
|
6 |
B1u |
596 |
558 |
0.936 |
171 |
624 |
|
|
7 |
B2g |
633 |
508 |
0.803 |
171 |
625 |
|
|
8 |
B2u |
1487 |
1337 |
0.899 |
171 |
626 |
|
|
9 |
B2u |
225 |
218 |
0.968 |
171 |
627 |
|
|
10 |
B3g |
1500 |
1340 |
0.893 |
171 |
628 |
|
|
11 |
B3g |
601 |
551 |
0.917 |
171 |
629 |
|
|
12 |
B3u |
467 |
406 |
0.869 |
171 |
630 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
855 |
816 |
0.955 |
172 |
631 |
|
|
2 |
A1' |
685 |
648 |
0.946 |
172 |
632 |
|
|
3 |
A2" |
1016 |
947 |
0.932 |
172 |
633 |
|
|
4 |
A2" |
595 |
575 |
0.966 |
172 |
634 |
|
|
5 |
E' |
1079 |
1024 |
0.949 |
172 |
635 |
|
|
6 |
E' |
551 |
533 |
0.967 |
172 |
636 |
|
|
7 |
E' |
180 |
174 |
0.964 |
172 |
637 |
|
|
8 |
E" |
528 |
520 |
0.985 |
172 |
638 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
4050 |
3602 |
0.889 |
173 |
639 |
|
|
2 |
A |
1553 |
1486 |
0.957 |
173 |
640 |
|
|
3 |
A |
1310 |
1243 |
0.949 |
173 |
641 |
|
|
4 |
A |
1285 |
1150 |
0.895 |
173 |
642 |
|
|
5 |
A |
984 |
896 |
0.910 |
173 |
643 |
|
|
6 |
A |
911 |
823 |
0.904 |
173 |
644 |
|
|
7 |
A |
591 |
562 |
0.950 |
173 |
645 |
|
|
8 |
A |
582 |
551 |
0.947 |
173 |
646 |
|
|
9 |
A |
548 |
518 |
0.946 |
173 |
647 |
|
|
10 |
A |
445 |
409 |
0.919 |
173 |
648 |
|
|
11 |
A |
399 |
390 |
0.977 |
173 |
649 |
|
|
12 |
A |
312 |
266 |
0.854 |
173 |
650 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3422 |
3121 |
0.912 |
174 |
651 |
|
|
2 |
A' |
3399 |
3086 |
0.908 |
174 |
652 |
|
|
3 |
A' |
3320 |
3030 |
0.913 |
174 |
653 |
|
|
4 |
A' |
1793 |
1608 |
0.897 |
174 |
654 |
|
|
5 |
A' |
1516 |
1368 |
0.902 |
174 |
655 |
|
|
6 |
A' |
1407 |
1279 |
0.909 |
174 |
656 |
|
|
7 |
A' |
1126 |
1030 |
0.915 |
174 |
657 |
|
|
8 |
A' |
773 |
720 |
0.931 |
174 |
658 |
|
|
9 |
A' |
422 |
395 |
0.937 |
174 |
659 |
|
|
10 |
A" |
1071 |
941 |
0.879 |
174 |
660 |
|
|
11 |
A" |
1050 |
896 |
0.853 |
174 |
661 |
|
|
12 |
A" |
684 |
620 |
0.906 |
174 |
662 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3339 |
3035 |
0.909 |
175 |
663 |
|
|
2 |
A1 |
1803 |
1627 |
0.902 |
175 |
664 |
|
|
3 |
A1 |
1521 |
1400 |
0.920 |
175 |
665 |
|
|
4 |
A1 |
648 |
603 |
0.931 |
175 |
666 |
|
|
5 |
A1 |
316 |
299 |
0.945 |
175 |
667 |
|
|
6 |
A2 |
770 |
686 |
0.891 |
175 |
668 |
|
|
7 |
B1 |
1043 |
875 |
0.839 |
175 |
669 |
|
|
8 |
B1 |
502 |
460 |
0.917 |
175 |
670 |
|
|
9 |
B2 |
3442 |
3130 |
0.909 |
175 |
671 |
|
|
10 |
B2 |
1209 |
1095 |
0.906 |
175 |
672 |
|
|
11 |
B2 |
878 |
800 |
0.912 |
175 |
673 |
|
|
12 |
B2 |
400 |
372 |
0.931 |
175 |
674 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3415 |
3077 |
0.901 |
176 |
675 |
|
|
2 |
A1 |
1795 |
1587 |
0.884 |
176 |
676 |
|
|
3 |
A1 |
1317 |
1179 |
0.895 |
176 |
677 |
|
|
4 |
A1 |
768 |
711 |
0.926 |
176 |
678 |
|
|
5 |
A1 |
179 |
173 |
0.968 |
176 |
679 |
|
|
6 |
A2 |
1032 |
876 |
0.849 |
176 |
680 |
|
|
7 |
A2 |
449 |
406 |
0.904 |
176 |
681 |
|
|
8 |
B1 |
799 |
697 |
0.872 |
176 |
682 |
|
|
9 |
B2 |
3392 |
3072 |
0.906 |
176 |
683 |
|
|
10 |
B2 |
1435 |
1303 |
0.908 |
176 |
684 |
|
|
11 |
B2 |
928 |
857 |
0.923 |
176 |
685 |
|
|
12 |
B2 |
610 |
571 |
0.937 |
176 |
686 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3420 |
3073 |
0.899 |
177 |
687 |
|
|
2 |
Ag |
1789 |
1578 |
0.882 |
177 |
688 |
|
|
3 |
Ag |
1412 |
1274 |
0.902 |
177 |
689 |
|
|
4 |
Ag |
925 |
846 |
0.914 |
177 |
690 |
|
|
5 |
Ag |
375 |
350 |
0.933 |
177 |
691 |
|
|
6 |
Au |
1039 |
900 |
0.866 |
177 |
692 |
|
|
7 |
Au |
232 |
227 |
0.980 |
177 |
693 |
|
|
8 |
Bg |
888 |
763 |
0.859 |
177 |
694 |
|
|
9 |
Bu |
3414 |
3090 |
0.905 |
177 |
695 |
|
|
10 |
Bu |
1329 |
1200 |
0.903 |
177 |
696 |
|
|
11 |
Bu |
887 |
828 |
0.933 |
177 |
697 |
|
|
12 |
Bu |
254 |
250 |
0.984 |
177 |
698 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3420 |
3082 |
0.901 |
178 |
699 |
|
|
2 |
A' |
1802 |
1586 |
0.880 |
178 |
700 |
|
|
3 |
A' |
1393 |
1247 |
0.895 |
178 |
701 |
|
|
4 |
A' |
1039 |
931 |
0.896 |
178 |
702 |
|
|
5 |
A' |
912 |
840 |
0.921 |
178 |
703 |
|
|
6 |
A' |
678 |
630 |
0.929 |
178 |
704 |
|
|
7 |
A' |
413 |
384 |
0.929 |
178 |
705 |
|
|
8 |
A' |
294 |
277 |
0.941 |
178 |
706 |
|
|
9 |
A' |
184 |
178 |
0.969 |
178 |
707 |
|
|
10 |
A" |
930 |
780 |
0.839 |
178 |
708 |
|
|
11 |
A" |
512 |
451 |
0.881 |
178 |
709 |
|
|
12 |
A" |
225 |
215 |
0.956 |
178 |
710 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1194 |
1122 |
0.939 |
179 |
711 |
|
|
2 |
A1 |
416 |
401 |
0.964 |
179 |
712 |
|
|
3 |
A1 |
180 |
176 |
0.975 |
179 |
713 |
|
|
5 |
B2 |
754 |
728 |
0.966 |
179 |
714 |
|
|
6 |
B2 |
305 |
289 |
0.947 |
179 |
715 |
|
|
7 |
E |
957 |
917 |
0.958 |
179 |
716 |
|
|
8 |
E |
523 |
512 |
0.978 |
179 |
717 |
|
|
9 |
E |
108 |
104 |
0.960 |
179 |
718 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1791 |
1571 |
0.877 |
180 |
719 |
|
|
2 |
Ag |
482 |
447 |
0.928 |
180 |
720 |
|
|
3 |
Ag |
255 |
237 |
0.928 |
180 |
721 |
|
|
4 |
Au |
108 |
110 |
1.018 |
180 |
722 |
|
|
5 |
B1u |
841 |
777 |
0.924 |
180 |
723 |
|
|
6 |
B1u |
335 |
310 |
0.925 |
180 |
724 |
|
|
7 |
B2g |
600 |
512 |
0.854 |
180 |
725 |
|
|
8 |
B2u |
1001 |
908 |
0.907 |
180 |
726 |
|
|
9 |
B2u |
192 |
176 |
0.918 |
180 |
727 |
|
|
10 |
B3g |
1108 |
1000 |
0.903 |
180 |
728 |
|
|
11 |
B3g |
372 |
347 |
0.932 |
180 |
729 |
|
|
12 |
B3u |
322 |
288 |
0.893 |
180 |
730 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
417 |
394 |
0.945 |
181 |
731 |
|
|
2 |
A1' |
307 |
264 |
0.860 |
181 |
732 |
|
|
3 |
A2" |
497 |
465 |
0.936 |
181 |
733 |
|
|
4 |
A2" |
316 |
299 |
0.947 |
181 |
734 |
|
|
5 |
E' |
625 |
592 |
0.948 |
181 |
735 |
|
|
6 |
E' |
289 |
273 |
0.946 |
181 |
736 |
|
|
7 |
E' |
99 |
100 |
1.010 |
181 |
737 |
|
|
8 |
E" |
275 |
282 |
1.026 |
181 |
738 |
CH3CCH |
propyne |
1 |
A1 |
3630 |
3334 |
0.919 |
182 |
739 |
|
|
2 |
A1 |
3203 |
2918 |
0.911 |
182 |
740 |
|
|
3 |
A1 |
2366 |
2124 |
0.898 |
182 |
741 |
|
|
4 |
A1 |
1543 |
1382 |
0.896 |
182 |
742 |
|
|
5 |
A1 |
964 |
931 |
0.966 |
182 |
743 |
|
|
6 |
E |
3279 |
3008 |
0.917 |
182 |
744 |
|
|
7 |
E |
1614 |
1452 |
0.900 |
182 |
745 |
|
|
8 |
E |
1159 |
1053 |
0.908 |
182 |
746 |
|
|
9 |
E |
835 |
633 |
0.758 |
182 |
747 |
|
|
10 |
E |
425 |
328 |
0.772 |
182 |
748 |
CH2CCH2 |
allene |
1 |
A1 |
3300 |
3015 |
0.914 |
183 |
749 |
|
|
2 |
A1 |
1605 |
1443 |
0.899 |
183 |
750 |
|
|
3 |
A1 |
1162 |
1073 |
0.923 |
183 |
751 |
|
|
4 |
B1 |
941 |
865 |
0.919 |
183 |
752 |
|
|
5 |
B2 |
3298 |
3007 |
0.912 |
183 |
753 |
|
|
6 |
B2 |
2148 |
1957 |
0.911 |
183 |
754 |
|
|
7 |
B2 |
1546 |
1398 |
0.904 |
183 |
755 |
|
|
8 |
E |
3387 |
3086 |
0.911 |
183 |
756 |
|
|
9 |
E |
1112 |
999 |
0.899 |
183 |
757 |
|
|
10 |
E |
984 |
841 |
0.854 |
183 |
758 |
|
|
11 |
E |
416 |
355 |
0.853 |
183 |
759 |
C3H4 |
cyclopropene |
1 |
A1 |
3467 |
3158 |
0.911 |
184 |
760 |
|
|
2 |
A1 |
3194 |
2909 |
0.911 |
184 |
761 |
|
|
3 |
A1 |
1837 |
1653 |
0.900 |
184 |
762 |
|
|
4 |
A1 |
1643 |
1483 |
0.902 |
184 |
763 |
|
|
5 |
A1 |
1237 |
1110 |
0.897 |
184 |
764 |
|
|
6 |
A1 |
1008 |
905 |
0.898 |
184 |
765 |
|
|
7 |
A2 |
1095 |
996 |
0.909 |
184 |
766 |
|
|
8 |
A2 |
968 |
820 |
0.847 |
184 |
767 |
|
|
9 |
B1 |
3260 |
2995 |
0.919 |
184 |
768 |
|
|
10 |
B1 |
1189 |
1088 |
0.915 |
184 |
769 |
|
|
11 |
B1 |
693 |
569 |
0.821 |
184 |
770 |
|
|
12 |
B2 |
3418 |
3124 |
0.914 |
184 |
771 |
|
|
13 |
B2 |
1174 |
1043 |
0.889 |
184 |
772 |
|
|
14 |
B2 |
1147 |
1011 |
0.881 |
184 |
773 |
|
|
15 |
B2 |
871 |
769 |
0.883 |
184 |
774 |
CH3NH2 |
methyl amine |
1 |
A' |
3722 |
3361 |
0.903 |
185 |
775 |
|
|
2 |
A' |
3229 |
2961 |
0.917 |
185 |
776 |
|
|
3 |
A' |
3144 |
2820 |
0.897 |
185 |
777 |
|
|
4 |
A' |
1841 |
1623 |
0.881 |
185 |
778 |
|
|
5 |
A' |
1631 |
1473 |
0.903 |
185 |
779 |
|
|
6 |
A' |
1588 |
1430 |
0.901 |
185 |
780 |
|
|
7 |
A' |
1280 |
1130 |
0.883 |
185 |
781 |
|
|
8 |
A' |
1130 |
1044 |
0.924 |
185 |
782 |
|
|
9 |
A' |
953 |
780 |
0.818 |
185 |
783 |
|
|
10 |
A" |
3801 |
3427 |
0.902 |
185 |
784 |
|
|
11 |
A" |
3266 |
2985 |
0.914 |
185 |
785 |
|
|
12 |
A" |
1649 |
1485 |
0.900 |
185 |
786 |
|
|
13 |
A" |
1468 |
1335 |
0.910 |
185 |
787 |
|
|
14 |
A" |
1040 |
|
|
185 |
788 |
|
|
15 |
A" |
333 |
268 |
0.806 |
185 |
789 |
C3H3N |
acrylonitrile |
1 |
A' |
3428 |
3125 |
0.912 |
186 |
790 |
|
|
2 |
A' |
3380 |
3078 |
0.911 |
186 |
791 |
|
|
3 |
A' |
3328 |
3042 |
0.914 |
186 |
792 |
|
|
4 |
A' |
2548 |
2239 |
0.879 |
186 |
793 |
|
|
5 |
A' |
1806 |
1615 |
0.894 |
186 |
794 |
|
|
6 |
A' |
1551 |
1416 |
0.913 |
186 |
795 |
|
|
7 |
A' |
1414 |
1282 |
0.907 |
186 |
796 |
|
|
8 |
A' |
1184 |
1096 |
0.926 |
186 |
797 |
|
|
9 |
A' |
914 |
869 |
0.951 |
186 |
798 |
|
|
10 |
A' |
622 |
570 |
0.917 |
186 |
799 |
|
|
11 |
A' |
259 |
242 |
0.935 |
186 |
800 |
|
|
12 |
A" |
1115 |
972 |
0.872 |
186 |
801 |
|
|
13 |
A" |
1090 |
954 |
0.875 |
186 |
802 |
|
|
14 |
A" |
767 |
683 |
0.891 |
186 |
803 |
|
|
15 |
A" |
387 |
362 |
0.935 |
186 |
804 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3261 |
2935 |
0.900 |
187 |
805 |
|
|
2 |
A1 |
2582 |
2275 |
0.881 |
187 |
806 |
|
|
3 |
A1 |
1591 |
1395 |
0.877 |
187 |
807 |
|
|
4 |
A1 |
957 |
890 |
0.930 |
187 |
808 |
|
|
5 |
A1 |
628 |
582 |
0.926 |
187 |
809 |
|
|
6 |
A1 |
163 |
167 |
1.027 |
187 |
810 |
|
|
7 |
A2 |
1355 |
1220 |
0.901 |
187 |
811 |
|
|
8 |
A2 |
412 |
367 |
0.891 |
187 |
812 |
|
|
9 |
B1 |
3316 |
2968 |
0.895 |
187 |
813 |
|
|
10 |
B1 |
1037 |
933 |
0.900 |
187 |
814 |
|
|
11 |
B1 |
376 |
337 |
0.897 |
187 |
815 |
|
|
12 |
B2 |
2581 |
2275 |
0.881 |
187 |
816 |
|
|
13 |
B2 |
1476 |
1318 |
0.893 |
187 |
817 |
|
|
14 |
B2 |
1035 |
982 |
0.949 |
187 |
818 |
|
|
15 |
B2 |
413 |
366 |
0.887 |
187 |
819 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3913 |
3447 |
0.881 |
188 |
820 |
|
|
2 |
A' |
3467 |
3102 |
0.895 |
188 |
821 |
|
|
3 |
A' |
1695 |
1441 |
0.850 |
188 |
822 |
|
|
4 |
A' |
1600 |
1384 |
0.865 |
188 |
823 |
|
|
5 |
A' |
1524 |
1259 |
0.826 |
188 |
824 |
|
|
6 |
A' |
1409 |
1159 |
0.822 |
188 |
825 |
|
|
7 |
A' |
1248 |
1084 |
0.869 |
188 |
826 |
|
|
8 |
A' |
1189 |
1015 |
0.853 |
188 |
827 |
|
|
9 |
A' |
1169 |
1002 |
0.857 |
188 |
828 |
|
|
10 |
A' |
1101 |
969 |
0.880 |
188 |
829 |
|
|
11 |
A' |
1078 |
925 |
0.858 |
188 |
830 |
|
|
12 |
A" |
994 |
906 |
0.911 |
188 |
831 |
|
|
13 |
A" |
800 |
663 |
0.829 |
188 |
832 |
|
|
14 |
A" |
742 |
658 |
0.887 |
188 |
833 |
|
|
15 |
A" |
602 |
578 |
0.961 |
188 |
834 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3308 |
3014 |
0.911 |
189 |
835 |
|
|
2 |
A' |
3190 |
2923 |
0.916 |
189 |
836 |
|
|
3 |
A' |
3134 |
2716 |
0.867 |
189 |
837 |
|
|
4 |
A' |
1978 |
1743 |
0.881 |
189 |
838 |
|
|
5 |
A' |
1597 |
1433 |
0.897 |
189 |
839 |
|
|
6 |
A' |
1549 |
1395 |
0.901 |
189 |
840 |
|
|
7 |
A' |
1517 |
1352 |
0.891 |
189 |
841 |
|
|
8 |
A' |
1220 |
1114 |
0.913 |
189 |
842 |
|
|
9 |
A' |
949 |
867 |
0.914 |
189 |
843 |
|
|
10 |
A' |
538 |
509 |
0.947 |
189 |
844 |
|
|
11 |
A" |
3251 |
2964 |
0.912 |
189 |
845 |
|
|
12 |
A" |
1603 |
1431 |
0.893 |
189 |
846 |
|
|
13 |
A" |
1251 |
1102 |
0.881 |
189 |
847 |
|
|
14 |
A" |
843 |
764 |
0.906 |
189 |
848 |
|
|
15 |
A" |
152 |
150 |
0.987 |
189 |
849 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3283 |
3006 |
0.916 |
190 |
850 |
|
|
2 |
A1 |
1681 |
1467 |
0.873 |
190 |
851 |
|
|
3 |
A1 |
1406 |
1267 |
0.901 |
190 |
852 |
|
|
4 |
A1 |
1292 |
1146 |
0.887 |
190 |
853 |
|
|
5 |
A1 |
974 |
857 |
0.880 |
190 |
854 |
|
|
6 |
A2 |
3364 |
3063 |
0.911 |
190 |
855 |
|
|
7 |
A2 |
1273 |
1050 |
0.825 |
190 |
856 |
|
|
8 |
A2 |
1145 |
1020 |
0.891 |
190 |
857 |
|
|
9 |
B1 |
3379 |
3065 |
0.907 |
190 |
858 |
|
|
10 |
B1 |
1276 |
1146 |
0.898 |
190 |
859 |
|
|
11 |
B1 |
870 |
797 |
0.916 |
190 |
860 |
|
|
12 |
B2 |
3271 |
3006 |
0.919 |
190 |
861 |
|
|
13 |
B2 |
1630 |
1459 |
0.895 |
190 |
862 |
|
|
14 |
B2 |
1274 |
1159 |
0.910 |
190 |
863 |
|
|
15 |
B2 |
962 |
824 |
0.856 |
190 |
864 |
H2SO4 |
Sulfuric acid |
1 |
A |
4064 |
3563 |
0.877 |
191 |
865 |
|
|
2 |
A |
1282 |
1216 |
0.949 |
191 |
866 |
|
|
3 |
A |
1280 |
1136 |
0.888 |
191 |
867 |
|
|
4 |
A |
923 |
831 |
0.901 |
191 |
868 |
|
|
5 |
A |
588 |
548 |
0.932 |
191 |
869 |
|
|
6 |
A |
467 |
422 |
0.904 |
191 |
870 |
|
|
7 |
A |
399 |
379 |
0.949 |
191 |
871 |
|
|
8 |
A |
275 |
224 |
0.816 |
191 |
872 |
|
|
9 |
B |
4060 |
3567 |
0.878 |
191 |
873 |
|
|
10 |
B |
1535 |
1452 |
0.946 |
191 |
874 |
|
|
11 |
B |
1291 |
1157 |
0.896 |
191 |
875 |
|
|
12 |
B |
982 |
882 |
0.898 |
191 |
876 |
|
|
13 |
B |
599 |
558 |
0.932 |
191 |
877 |
|
|
14 |
B |
528 |
506 |
0.958 |
191 |
878 |
|
|
15 |
B |
349 |
288 |
0.825 |
191 |
879 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3340 |
3043 |
0.911 |
192 |
880 |
|
|
2 |
A' |
3221 |
2955 |
0.918 |
192 |
881 |
|
|
3 |
A' |
2068 |
1870 |
0.904 |
192 |
882 |
|
|
4 |
A' |
1602 |
1440 |
0.899 |
192 |
883 |
|
|
5 |
A' |
1550 |
1378 |
0.889 |
192 |
884 |
|
|
6 |
A' |
1336 |
1188 |
0.889 |
192 |
885 |
|
|
7 |
A' |
1107 |
1000 |
0.904 |
192 |
886 |
|
|
8 |
A' |
919 |
826 |
0.899 |
192 |
887 |
|
|
9 |
A' |
647 |
598 |
0.925 |
192 |
888 |
|
|
10 |
A' |
436 |
420 |
0.963 |
192 |
889 |
|
|
11 |
A" |
3295 |
3004 |
0.912 |
192 |
890 |
|
|
12 |
A" |
1607 |
1437 |
0.894 |
192 |
891 |
|
|
13 |
A" |
1175 |
1054 |
0.897 |
192 |
892 |
|
|
14 |
A" |
620 |
567 |
0.915 |
192 |
893 |
|
|
15 |
A" |
137 |
123 |
0.896 |
192 |
894 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
845 |
774 |
0.915 |
193 |
895 |
|
|
2 |
Eg |
717 |
642 |
0.895 |
193 |
896 |
|
|
3 |
T1u |
1068 |
948 |
0.887 |
193 |
897 |
|
|
4 |
T1u |
653 |
616 |
0.943 |
193 |
898 |
|
|
5 |
T2g |
553 |
525 |
0.949 |
193 |
899 |
|
|
6 |
T2u |
375 |
347 |
0.926 |
193 |
900 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3329 |
3027 |
0.909 |
194 |
901 |
|
|
2 |
A' |
3220 |
2948 |
0.915 |
194 |
902 |
|
|
3 |
A' |
2028 |
1818 |
0.896 |
194 |
903 |
|
|
4 |
A' |
1598 |
1415 |
0.885 |
194 |
904 |
|
|
5 |
A' |
1536 |
1368 |
0.890 |
194 |
905 |
|
|
6 |
A' |
1218 |
1108 |
0.910 |
194 |
906 |
|
|
7 |
A' |
1039 |
956 |
0.920 |
194 |
907 |
|
|
8 |
A' |
661 |
604 |
0.914 |
194 |
908 |
|
|
9 |
A' |
495 |
445 |
0.899 |
194 |
909 |
|
|
10 |
A' |
362 |
348 |
0.962 |
194 |
910 |
|
|
11 |
A" |
3304 |
2990 |
0.905 |
194 |
911 |
|
|
12 |
A" |
1601 |
1431 |
0.894 |
194 |
912 |
|
|
13 |
A" |
1149 |
1032 |
0.898 |
194 |
913 |
|
|
14 |
A" |
561 |
518 |
0.924 |
194 |
914 |
|
|
15 |
A" |
151 |
166 |
1.099 |
194 |
915 |
C2H6 |
Ethane |
1 |
A1g |
3183 |
2954 |
0.928 |
195 |
916 |
|
|
2 |
A1g |
1565 |
1388 |
0.887 |
195 |
917 |
|
|
3 |
A1g |
1050 |
995 |
0.947 |
195 |
918 |
|
|
4 |
A1u |
322 |
289 |
0.897 |
195 |
919 |
|
|
5 |
A2u |
3173 |
2896 |
0.913 |
195 |
920 |
|
|
6 |
A2u |
1525 |
1379 |
0.904 |
195 |
921 |
|
|
7 |
Eg |
3229 |
2969 |
0.920 |
195 |
922 |
|
|
8 |
Eg |
1630 |
1468 |
0.901 |
195 |
923 |
|
|
9 |
Eg |
1323 |
1190 |
0.900 |
195 |
924 |
|
|
10 |
Eu |
3255 |
2985 |
0.917 |
195 |
925 |
|
|
11 |
Eu |
1635 |
1469 |
0.899 |
195 |
926 |
|
|
12 |
Eu |
873 |
822 |
0.941 |
195 |
927 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3173 |
2898 |
0.913 |
196 |
928 |
|
|
2 |
A1 |
2307 |
2166 |
0.939 |
196 |
929 |
|
|
3 |
A1 |
1434 |
1260 |
0.879 |
196 |
930 |
|
|
4 |
A1 |
1020 |
940 |
0.922 |
196 |
931 |
|
|
5 |
A1 |
718 |
700 |
0.974 |
196 |
932 |
|
|
6 |
A2 |
196 |
187 |
0.953 |
196 |
933 |
|
|
7 |
E |
3251 |
2982 |
0.917 |
196 |
934 |
|
|
8 |
E |
2305 |
2169 |
0.941 |
196 |
935 |
|
|
9 |
E |
1599 |
1403 |
0.877 |
196 |
936 |
|
|
10 |
E |
1028 |
980 |
0.953 |
196 |
937 |
|
|
11 |
E |
957 |
868 |
0.907 |
196 |
938 |
|
|
12 |
E |
553 |
540 |
0.977 |
196 |
939 |
Si2H6 |
disilane |
1 |
A1g |
2308 |
2152 |
0.932 |
197 |
940 |
|
|
2 |
A1g |
1018 |
909 |
0.893 |
197 |
941 |
|
|
3 |
A1g |
447 |
434 |
0.970 |
197 |
942 |
|
|
4 |
A1u |
135 |
131 |
0.971 |
197 |
943 |
|
|
5 |
A2u |
2294 |
2154 |
0.939 |
197 |
944 |
|
|
6 |
A2u |
931 |
844 |
0.906 |
197 |
945 |
|
|
7 |
Eg |
2305 |
2155 |
0.935 |
197 |
946 |
|
|
8 |
Eg |
1013 |
929 |
0.918 |
197 |
947 |
|
|
9 |
Eg |
686 |
625 |
0.911 |
197 |
948 |
|
|
10 |
Eu |
2314 |
2179 |
0.941 |
197 |
949 |
|
|
11 |
Eu |
1028 |
940 |
0.914 |
197 |
950 |
|
|
12 |
Eu |
406 |
379 |
0.934 |
197 |
951 |
C2H5N |
Aziridine |
1 |
A' |
3767 |
3338 |
0.886 |
198 |
952 |
|
|
2 |
A' |
3376 |
3079 |
0.912 |
198 |
953 |
|
|
3 |
A' |
3282 |
3015 |
0.919 |
198 |
954 |
|
|
4 |
A' |
1663 |
1482 |
0.891 |
198 |
955 |
|
|
5 |
A' |
1396 |
1237 |
0.886 |
198 |
956 |
|
|
6 |
A' |
1347 |
1211 |
0.899 |
198 |
957 |
|
|
7 |
A' |
1235 |
1090 |
0.882 |
198 |
958 |
|
|
8 |
A' |
1083 |
998 |
0.922 |
198 |
959 |
|
|
9 |
A' |
952 |
856 |
0.899 |
198 |
960 |
|
|
10 |
A' |
837 |
773 |
0.924 |
198 |
961 |
|
|
11 |
A" |
3362 |
3079 |
0.916 |
198 |
962 |
|
|
12 |
A" |
3271 |
3015 |
0.922 |
198 |
963 |
|
|
13 |
A" |
1621 |
1463 |
0.903 |
198 |
964 |
|
|
14 |
A" |
1390 |
1268 |
0.912 |
198 |
965 |
|
|
15 |
A" |
1257 |
1131 |
0.900 |
198 |
966 |
|
|
16 |
A" |
1232 |
1095 |
0.889 |
198 |
967 |
|
|
17 |
A" |
999 |
904 |
0.905 |
198 |
968 |
|
|
18 |
A" |
956 |
817 |
0.854 |
198 |
969 |
CH3COOH |
Acetic acid |
1 |
A' |
4084 |
3583 |
0.877 |
199 |
970 |
|
|
2 |
A' |
3334 |
3051 |
0.915 |
199 |
971 |
|
|
3 |
A' |
3217 |
2944 |
0.915 |
199 |
972 |
|
|
4 |
A' |
1985 |
1788 |
0.901 |
199 |
973 |
|
|
5 |
A' |
1603 |
1430 |
0.892 |
199 |
974 |
|
|
6 |
A' |
1558 |
1382 |
0.887 |
199 |
975 |
|
|
7 |
A' |
1459 |
1264 |
0.866 |
199 |
976 |
|
|
8 |
A' |
1348 |
1182 |
0.877 |
199 |
977 |
|
|
9 |
A' |
1101 |
989 |
0.898 |
199 |
978 |
|
|
10 |
A' |
923 |
847 |
0.918 |
199 |
979 |
|
|
11 |
A' |
629 |
657 |
1.045 |
199 |
980 |
|
|
12 |
A' |
444 |
|
|
199 |
981 |
|
|
13 |
A" |
3289 |
2996 |
0.911 |
199 |
982 |
|
|
14 |
A" |
1608 |
1430 |
0.889 |
199 |
983 |
|
|
15 |
A" |
1172 |
1048 |
0.894 |
199 |
984 |
|
|
16 |
A" |
711 |
642 |
0.903 |
199 |
985 |
|
|
17 |
A" |
581 |
534 |
0.918 |
199 |
986 |
|
|
18 |
A" |
86 |
93 |
1.076 |
199 |
987 |
CH3OCHO |
methyl formate |
1 |
A' |
3342 |
3045 |
0.911 |
200 |
988 |
|
|
2 |
A' |
3285 |
2969 |
0.904 |
200 |
989 |
|
|
3 |
A' |
3231 |
2943 |
0.911 |
200 |
990 |
|
|
4 |
A' |
1953 |
1754 |
0.898 |
200 |
991 |
|
|
5 |
A' |
1631 |
1454 |
0.891 |
200 |
992 |
|
|
6 |
A' |
1608 |
1445 |
0.898 |
200 |
993 |
|
|
7 |
A' |
1530 |
1371 |
0.896 |
200 |
994 |
|
|
8 |
A' |
1370 |
1207 |
0.881 |
200 |
995 |
|
|
9 |
A' |
1310 |
1166 |
0.890 |
200 |
996 |
|
|
10 |
A' |
1025 |
925 |
0.903 |
200 |
997 |
|
|
11 |
A' |
837 |
767 |
0.917 |
200 |
998 |
|
|
12 |
A' |
323 |
318 |
0.986 |
200 |
999 |
|
|
13 |
A" |
3321 |
3012 |
0.907 |
200 |
1000 |
|
|
14 |
A" |
1625 |
1443 |
0.888 |
200 |
1001 |
|
|
15 |
A" |
1289 |
1168 |
0.906 |
200 |
1002 |
|
|
16 |
A" |
1171 |
1032 |
0.881 |
200 |
1003 |
|
|
17 |
A" |
341 |
332 |
0.974 |
200 |
1004 |
|
|
18 |
A" |
166 |
130 |
0.783 |
200 |
1005 |
C3H3NO |
Isoxazole |
1 |
A' |
3458 |
3160 |
0.914 |
201 |
1006 |
|
|
2 |
A' |
3437 |
3128 |
0.910 |
201 |
1007 |
|
|
3 |
A' |
3419 |
3086 |
0.902 |
201 |
1008 |
|
|
4 |
A' |
1764 |
1561 |
0.885 |
201 |
1009 |
|
|
5 |
A' |
1602 |
1433 |
0.894 |
201 |
1010 |
|
|
6 |
A' |
1519 |
1371 |
0.902 |
201 |
1011 |
|
|
7 |
A' |
1366 |
1218 |
0.892 |
201 |
1012 |
|
|
8 |
A' |
1263 |
1130 |
0.894 |
201 |
1013 |
|
|
9 |
A' |
1206 |
1096 |
0.908 |
201 |
1014 |
|
|
10 |
A' |
1100 |
1024 |
0.931 |
201 |
1015 |
|
|
11 |
A' |
1045 |
920 |
0.880 |
201 |
1016 |
|
|
12 |
A' |
997 |
900 |
0.903 |
201 |
1017 |
|
|
13 |
A' |
983 |
857 |
0.872 |
201 |
1018 |
|
|
14 |
A" |
1032 |
890 |
0.862 |
201 |
1019 |
|
|
15 |
A" |
1016 |
866 |
0.852 |
201 |
1020 |
|
|
16 |
A" |
866 |
765 |
0.883 |
201 |
1021 |
|
|
17 |
A" |
689 |
631 |
0.915 |
201 |
1022 |
|
|
18 |
A" |
633 |
592 |
0.934 |
201 |
1023 |
C3H3NO |
Oxazole |
1 |
A' |
3478 |
3170 |
0.911 |
202 |
1024 |
|
|
2 |
A' |
3454 |
3144 |
0.910 |
202 |
1025 |
|
|
3 |
A' |
3442 |
3141 |
0.913 |
202 |
1026 |
|
|
4 |
A' |
1740 |
1537 |
0.883 |
202 |
1027 |
|
|
5 |
A' |
1676 |
1504 |
0.897 |
202 |
1028 |
|
|
6 |
A' |
1487 |
1324 |
0.891 |
202 |
1029 |
|
|
7 |
A' |
1388 |
1252 |
0.902 |
202 |
1030 |
|
|
8 |
A' |
1281 |
1139 |
0.889 |
202 |
1031 |
|
|
9 |
A' |
1211 |
1086 |
0.897 |
202 |
1032 |
|
|
10 |
A' |
1178 |
1078 |
0.915 |
202 |
1033 |
|
|
11 |
A' |
1152 |
1046 |
0.908 |
202 |
1034 |
|
|
12 |
A' |
1002 |
899 |
0.897 |
202 |
1035 |
|
|
13 |
A' |
982 |
854 |
0.869 |
202 |
1036 |
|
|
14 |
A" |
1010 |
907 |
0.898 |
202 |
1037 |
|
|
15 |
A" |
985 |
830 |
0.843 |
202 |
1038 |
|
|
16 |
A" |
867 |
750 |
0.865 |
202 |
1039 |
|
|
17 |
A" |
701 |
647 |
0.922 |
202 |
1040 |
|
|
18 |
A" |
660 |
607 |
0.920 |
202 |
1041 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3230 |
2974 |
0.921 |
203 |
1042 |
|
|
2 |
A1 |
1587 |
1412 |
0.890 |
203 |
1043 |
|
|
3 |
A1 |
1409 |
1278 |
0.907 |
203 |
1044 |
|
|
4 |
A1 |
898 |
828 |
0.922 |
203 |
1045 |
|
|
5 |
A1 |
640 |
606 |
0.946 |
203 |
1046 |
|
|
6 |
A2 |
237 |
225 |
0.950 |
203 |
1047 |
|
|
7 |
E |
3323 |
3042 |
0.916 |
203 |
1048 |
|
|
8 |
E |
1615 |
1450 |
0.898 |
203 |
1049 |
|
|
9 |
E |
1383 |
1230 |
0.889 |
203 |
1050 |
|
|
10 |
E |
1083 |
964 |
0.890 |
203 |
1051 |
|
|
11 |
E |
582 |
540 |
0.928 |
203 |
1052 |
|
|
12 |
E |
387 |
365 |
0.944 |
203 |
1053 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1604 |
1420 |
0.885 |
204 |
1054 |
|
|
2 |
A1g |
883 |
809 |
0.916 |
204 |
1055 |
|
|
3 |
A1g |
374 |
349 |
0.934 |
204 |
1056 |
|
|
4 |
A1u |
73 |
68 |
0.931 |
204 |
1057 |
|
|
5 |
A2u |
1221 |
1117 |
0.915 |
204 |
1058 |
|
|
6 |
A2u |
773 |
714 |
0.923 |
204 |
1059 |
|
|
7 |
Eg |
1407 |
1237 |
0.879 |
204 |
1060 |
|
|
8 |
Eg |
669 |
620 |
0.927 |
204 |
1061 |
|
|
9 |
Eg |
411 |
380 |
0.924 |
204 |
1062 |
|
|
10 |
Eu |
1413 |
1251 |
0.885 |
204 |
1063 |
|
|
11 |
Eu |
563 |
523 |
0.927 |
204 |
1064 |
|
|
12 |
Eu |
233 |
216 |
0.929 |
204 |
1065 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3272 |
2967 |
0.907 |
205 |
1066 |
|
|
2 |
A' |
3258 |
2946 |
0.904 |
205 |
1067 |
|
|
3 |
A' |
3189 |
2881 |
0.903 |
205 |
1068 |
|
|
4 |
A' |
1633 |
1463 |
0.896 |
205 |
1069 |
|
|
5 |
A' |
1626 |
1448 |
0.891 |
205 |
1070 |
|
|
6 |
A' |
1550 |
1385 |
0.894 |
205 |
1071 |
|
|
7 |
A' |
1448 |
1289 |
0.890 |
205 |
1072 |
|
|
8 |
A' |
1170 |
1081 |
0.924 |
205 |
1073 |
|
|
9 |
A' |
1045 |
974 |
0.932 |
205 |
1074 |
|
|
10 |
A' |
720 |
677 |
0.940 |
205 |
1075 |
|
|
11 |
A' |
351 |
336 |
0.957 |
205 |
1076 |
|
|
12 |
A" |
3335 |
3014 |
0.904 |
205 |
1077 |
|
|
13 |
A" |
3283 |
2986 |
0.910 |
205 |
1078 |
|
|
14 |
A" |
1616 |
1448 |
0.896 |
205 |
1079 |
|
|
15 |
A" |
1380 |
1251 |
0.906 |
205 |
1080 |
|
|
16 |
A" |
1177 |
974 |
0.827 |
205 |
1081 |
|
|
17 |
A" |
841 |
786 |
0.934 |
205 |
1082 |
|
|
18 |
A" |
277 |
251 |
0.906 |
205 |
1083 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3289 |
2957 |
0.899 |
206 |
1084 |
|
|
1 |
A |
3337 |
3005 |
0.901 |
206 |
1085 |
|
|
2 |
A |
3273 |
2957 |
0.903 |
206 |
1086 |
|
|
2 |
Ag |
1630 |
1445 |
0.887 |
206 |
1087 |
|
|
3 |
Ag |
1485 |
1304 |
0.878 |
206 |
1088 |
|
|
3 |
A |
1616 |
1433 |
0.887 |
206 |
1089 |
|
|
4 |
A |
1484 |
1315 |
0.886 |
206 |
1090 |
|
|
4 |
Ag |
1132 |
1052 |
0.929 |
206 |
1091 |
|
|
5 |
Ag |
832 |
754 |
0.906 |
206 |
1092 |
|
|
5 |
A |
1342 |
1207 |
0.899 |
206 |
1093 |
|
|
6 |
A |
1131 |
1027 |
0.908 |
206 |
1094 |
|
|
6 |
Ag |
320 |
300 |
0.939 |
206 |
1095 |
|
|
7 |
Au |
3375 |
3005 |
0.890 |
206 |
1096 |
|
|
7 |
A |
1033 |
948 |
0.918 |
206 |
1097 |
|
|
8 |
A |
715 |
669 |
0.936 |
206 |
1098 |
|
|
8 |
Au |
1250 |
1123 |
0.899 |
206 |
1099 |
|
|
9 |
Au |
831 |
773 |
0.931 |
206 |
1100 |
|
|
9 |
A |
276 |
272 |
0.987 |
206 |
1101 |
|
|
10 |
A |
120 |
125 |
1.039 |
206 |
1102 |
|
|
10 |
Au |
125 |
123 |
0.980 |
206 |
1103 |
|
|
11 |
Bg |
3354 |
3005 |
0.896 |
206 |
1104 |
|
|
11 |
B |
3348 |
3005 |
0.897 |
206 |
1105 |
|
|
12 |
B |
3260 |
2957 |
0.907 |
206 |
1106 |
|
|
12 |
Bg |
1407 |
1264 |
0.899 |
206 |
1107 |
|
|
13 |
Bg |
1108 |
989 |
0.893 |
206 |
1108 |
|
|
13 |
B |
1606 |
1436 |
0.894 |
206 |
1109 |
|
|
14 |
B |
1452 |
1292 |
0.890 |
206 |
1110 |
|
|
14 |
Bu |
3293 |
2983 |
0.906 |
206 |
1111 |
|
|
15 |
Bu |
1626 |
1461 |
0.898 |
206 |
1112 |
|
|
15 |
B |
1265 |
1146 |
0.906 |
206 |
1113 |
|
|
16 |
B |
979 |
890 |
0.909 |
206 |
1114 |
|
|
16 |
Bu |
1381 |
1232 |
0.892 |
206 |
1115 |
|
|
17 |
Bu |
778 |
728 |
0.935 |
206 |
1116 |
|
|
17 |
B |
746 |
693 |
0.929 |
206 |
1117 |
|
|
18 |
B |
434 |
410 |
0.944 |
206 |
1118 |
|
|
18 |
Bu |
232 |
222 |
0.958 |
206 |
1119 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3223 |
2951 |
0.916 |
207 |
1120 |
|
|
2 |
A1 |
1557 |
1386 |
0.890 |
207 |
1121 |
|
|
3 |
A1 |
1168 |
1075 |
0.920 |
207 |
1122 |
|
|
4 |
A1 |
563 |
526 |
0.934 |
207 |
1123 |
|
|
5 |
A1 |
371 |
344 |
0.927 |
207 |
1124 |
|
|
6 |
A2 |
324 |
214 |
0.660 |
207 |
1125 |
|
|
7 |
E |
3318 |
3014 |
0.908 |
207 |
1126 |
|
|
8 |
E |
1612 |
1457 |
0.904 |
207 |
1127 |
|
|
9 |
E |
1212 |
1088 |
0.898 |
207 |
1128 |
|
|
10 |
E |
825 |
724 |
0.877 |
207 |
1129 |
|
|
11 |
E |
366 |
351 |
0.958 |
207 |
1130 |
|
|
12 |
E |
259 |
239 |
0.921 |
207 |
1131 |
C3H6 |
Cyclopropane |
1 |
A1' |
3293 |
3038 |
0.923 |
208 |
1132 |
|
|
2 |
A1' |
1656 |
1479 |
0.893 |
208 |
1133 |
|
|
3 |
A1' |
1273 |
1188 |
0.933 |
208 |
1134 |
|
|
4 |
A1" |
1255 |
1126 |
0.897 |
208 |
1135 |
|
|
5 |
A2' |
1195 |
1070 |
0.896 |
208 |
1136 |
|
|
6 |
A2" |
3384 |
3103 |
0.917 |
208 |
1137 |
|
|
7 |
A2" |
903 |
854 |
0.946 |
208 |
1138 |
|
|
8 |
E' |
3277 |
3025 |
0.923 |
208 |
1139 |
|
|
9 |
E' |
1592 |
1438 |
0.903 |
208 |
1140 |
|
|
10 |
E' |
1163 |
1029 |
0.885 |
208 |
1141 |
|
|
11 |
E' |
938 |
866 |
0.923 |
208 |
1142 |
|
|
12 |
E" |
3361 |
3082 |
0.917 |
208 |
1143 |
|
|
13 |
E" |
1311 |
1188 |
0.906 |
208 |
1144 |
|
|
14 |
E" |
788 |
739 |
0.938 |
208 |
1145 |
CH2CHCH3 |
Propene |
1 |
A' |
3384 |
3090 |
0.913 |
209 |
1146 |
|
|
2 |
A' |
3309 |
3013 |
0.910 |
209 |
1147 |
|
|
3 |
A' |
3293 |
2991 |
0.908 |
209 |
1148 |
|
|
4 |
A' |
3260 |
2954 |
0.906 |
209 |
1149 |
|
|
5 |
A' |
3177 |
2871 |
0.904 |
209 |
1150 |
|
|
6 |
A' |
1830 |
1650 |
0.902 |
209 |
1151 |
|
|
7 |
A' |
1626 |
1470 |
0.904 |
209 |
1152 |
|
|
8 |
A' |
1575 |
1420 |
0.902 |
209 |
1153 |
|
|
9 |
A' |
1533 |
1378 |
0.899 |
209 |
1154 |
|
|
10 |
A' |
1418 |
1297 |
0.914 |
209 |
1155 |
|
|
11 |
A' |
1281 |
1171 |
0.914 |
209 |
1156 |
|
|
12 |
A' |
1013 |
963 |
0.951 |
209 |
1157 |
|
|
13 |
A' |
971 |
920 |
0.948 |
209 |
1158 |
|
|
14 |
A' |
447 |
428 |
0.957 |
209 |
1159 |
|
|
15 |
A" |
3231 |
2954 |
0.914 |
209 |
1160 |
|
|
16 |
A" |
1613 |
1443 |
0.895 |
209 |
1161 |
|
|
17 |
A" |
1171 |
1045 |
0.893 |
209 |
1162 |
|
|
18 |
A" |
1110 |
991 |
0.893 |
209 |
1163 |
|
|
19 |
A" |
1048 |
912 |
0.870 |
209 |
1164 |
|
|
20 |
A" |
631 |
578 |
0.916 |
209 |
1165 |
|
|
21 |
A" |
208 |
174 |
0.837 |
209 |
1166 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3919 |
3523 |
0.899 |
210 |
1167 |
|
|
2 |
A' |
3441 |
3155 |
0.917 |
210 |
1168 |
|
|
3 |
A' |
3423 |
3137 |
0.916 |
210 |
1169 |
|
|
4 |
A' |
3411 |
3126 |
0.917 |
210 |
1170 |
|
|
5 |
A' |
1716 |
1531 |
0.892 |
210 |
1171 |
|
|
6 |
A' |
1611 |
1447 |
0.898 |
210 |
1172 |
|
|
7 |
A' |
1523 |
1395 |
0.916 |
210 |
1173 |
|
|
8 |
A' |
1517 |
1358 |
0.895 |
210 |
1174 |
|
|
9 |
A' |
1387 |
1254 |
0.904 |
210 |
1175 |
|
|
10 |
A' |
1265 |
1159 |
0.916 |
210 |
1176 |
|
|
11 |
A' |
1212 |
1121 |
0.925 |
210 |
1177 |
|
|
12 |
A' |
1129 |
1054 |
0.933 |
210 |
1178 |
|
|
13 |
A' |
1114 |
1009 |
0.906 |
210 |
1179 |
|
|
14 |
A' |
1001 |
924 |
0.923 |
210 |
1180 |
|
|
15 |
A' |
987 |
908 |
0.920 |
210 |
1181 |
|
|
16 |
A" |
1009 |
879 |
0.871 |
210 |
1182 |
|
|
17 |
A" |
974 |
833 |
0.855 |
210 |
1183 |
|
|
18 |
A" |
846 |
745 |
0.881 |
210 |
1184 |
|
|
19 |
A" |
734 |
674 |
0.918 |
210 |
1185 |
|
|
20 |
A" |
677 |
623 |
0.920 |
210 |
1186 |
|
|
21 |
A" |
523 |
516 |
0.986 |
210 |
1187 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3911 |
3517 |
0.899 |
211 |
1188 |
|
|
2 |
A' |
3450 |
3143 |
0.911 |
211 |
1189 |
|
|
3 |
A' |
3423 |
3123 |
0.912 |
211 |
1190 |
|
|
4 |
A' |
3421 |
3110 |
0.909 |
211 |
1191 |
|
|
5 |
A' |
1710 |
1448 |
0.847 |
211 |
1192 |
|
|
6 |
A' |
1633 |
1404 |
0.860 |
211 |
1193 |
|
|
7 |
A' |
1555 |
1328 |
0.854 |
211 |
1194 |
|
|
8 |
A' |
1476 |
1265 |
0.857 |
211 |
1195 |
|
|
9 |
A' |
1393 |
1188 |
0.853 |
211 |
1196 |
|
|
10 |
A' |
1237 |
1098 |
0.887 |
211 |
1197 |
|
|
11 |
A' |
1216 |
1062 |
0.873 |
211 |
1198 |
|
|
12 |
A' |
1170 |
1013 |
0.866 |
211 |
1199 |
|
|
13 |
A' |
1142 |
988 |
0.865 |
211 |
1200 |
|
|
14 |
A' |
1009 |
923 |
0.915 |
211 |
1201 |
|
|
15 |
A' |
972 |
898 |
0.924 |
211 |
1202 |
|
|
16 |
A" |
994 |
831 |
0.836 |
211 |
1203 |
|
|
17 |
A" |
958 |
758 |
0.791 |
211 |
1204 |
|
|
18 |
A" |
827 |
674 |
0.815 |
211 |
1205 |
|
|
19 |
A" |
723 |
663 |
0.917 |
211 |
1206 |
|
|
20 |
A" |
683 |
621 |
0.909 |
211 |
1207 |
|
|
21 |
A" |
523 |
539 |
1.030 |
211 |
1208 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3387 |
3042 |
0.898 |
212 |
1209 |
|
|
2 |
A1' |
1237 |
1132 |
0.915 |
212 |
1210 |
|
|
3 |
A1' |
1094 |
992 |
0.907 |
212 |
1211 |
|
|
4 |
A2' |
1514 |
1278 |
0.844 |
212 |
1212 |
|
|
5 |
A2' |
1135 |
1068 |
0.941 |
212 |
1213 |
|
|
6 |
A2" |
1068 |
925 |
0.866 |
212 |
1214 |
|
|
7 |
A2" |
794 |
737 |
0.928 |
212 |
1215 |
|
|
8 |
E' |
3383 |
3056 |
0.903 |
212 |
1216 |
|
|
9 |
E' |
1779 |
1555 |
0.874 |
212 |
1217 |
|
|
10 |
E' |
1559 |
1410 |
0.904 |
212 |
1218 |
|
|
11 |
E' |
1291 |
1176 |
0.911 |
212 |
1219 |
|
|
12 |
E' |
743 |
657 |
0.885 |
212 |
1220 |
|
|
13 |
E" |
1172 |
830 |
0.708 |
212 |
1221 |
|
|
14 |
E" |
412 |
340 |
0.826 |
212 |
1222 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3290 |
2996 |
0.911 |
213 |
1223 |
|
|
2 |
A1 |
3161 |
2817 |
0.891 |
213 |
1224 |
|
|
3 |
A1 |
1650 |
1464 |
0.887 |
213 |
1225 |
|
|
4 |
A1 |
1630 |
1452 |
0.891 |
213 |
1226 |
|
|
5 |
A1 |
1391 |
1244 |
0.894 |
213 |
1227 |
|
|
6 |
A1 |
1034 |
928 |
0.897 |
213 |
1228 |
|
|
7 |
A1 |
441 |
418 |
0.948 |
213 |
1229 |
|
|
8 |
A2 |
3203 |
2952 |
0.922 |
213 |
1230 |
|
|
9 |
A2 |
1620 |
1464 |
0.903 |
213 |
1231 |
|
|
10 |
A2 |
1269 |
1150 |
0.906 |
213 |
1232 |
|
|
11 |
A2 |
205 |
203 |
0.991 |
213 |
1233 |
|
|
12 |
B1 |
3206 |
2925 |
0.912 |
213 |
1234 |
|
|
13 |
B1 |
1633 |
1464 |
0.896 |
213 |
1235 |
|
|
14 |
B1 |
1302 |
1179 |
0.905 |
213 |
1236 |
|
|
15 |
B1 |
266 |
242 |
0.909 |
213 |
1237 |
|
|
16 |
B2 |
3288 |
2996 |
0.911 |
213 |
1238 |
|
|
17 |
B2 |
3145 |
2817 |
0.896 |
213 |
1239 |
|
|
18 |
B2 |
1634 |
1464 |
0.896 |
213 |
1240 |
|
|
19 |
B2 |
1594 |
1452 |
0.911 |
213 |
1241 |
|
|
20 |
B2 |
1332 |
1227 |
0.921 |
213 |
1242 |
|
|
21 |
B2 |
1221 |
1102 |
0.903 |
213 |
1243 |
C4H4O |
Furan |
1 |
A1 |
3458 |
3161 |
0.914 |
214 |
1244 |
|
|
2 |
A1 |
3424 |
3140 |
0.917 |
214 |
1245 |
|
|
3 |
A1 |
1647 |
1491 |
0.905 |
214 |
1246 |
|
|
4 |
A1 |
1525 |
1384 |
0.907 |
214 |
1247 |
|
|
5 |
A1 |
1248 |
1140 |
0.914 |
214 |
1248 |
|
|
6 |
A1 |
1147 |
1066 |
0.929 |
214 |
1249 |
|
|
7 |
A1 |
1077 |
995 |
0.924 |
214 |
1250 |
|
|
8 |
A1 |
943 |
871 |
0.924 |
214 |
1251 |
|
|
9 |
A2 |
1010 |
838 |
0.830 |
214 |
1252 |
|
|
10 |
A2 |
848 |
728 |
0.858 |
214 |
1253 |
|
|
11 |
A2 |
653 |
603 |
0.923 |
214 |
1254 |
|
|
12 |
B1 |
987 |
863 |
0.874 |
214 |
1255 |
|
|
13 |
B1 |
854 |
745 |
0.873 |
214 |
1256 |
|
|
14 |
B1 |
647 |
613 |
0.947 |
214 |
1257 |
|
|
15 |
B2 |
3453 |
3154 |
0.913 |
214 |
1258 |
|
|
16 |
B2 |
3412 |
3129 |
0.917 |
214 |
1259 |
|
|
17 |
B2 |
1725 |
1556 |
0.902 |
214 |
1260 |
|
|
18 |
B2 |
1394 |
1267 |
0.909 |
214 |
1261 |
|
|
19 |
B2 |
1306 |
1180 |
0.903 |
214 |
1262 |
|
|
20 |
B2 |
1150 |
1040 |
0.904 |
214 |
1263 |
|
|
21 |
B2 |
950 |
873 |
0.918 |
214 |
1264 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3266 |
3001 |
0.919 |
215 |
1265 |
|
|
2 |
A' |
3256 |
2935 |
0.902 |
215 |
1266 |
|
|
3 |
A' |
2066 |
1882 |
0.911 |
215 |
1267 |
|
|
4 |
A' |
1665 |
1475 |
0.886 |
215 |
1268 |
|
|
5 |
A' |
1597 |
1427 |
0.893 |
215 |
1269 |
|
|
6 |
A' |
1501 |
1319 |
0.879 |
215 |
1270 |
|
|
7 |
A' |
1365 |
1199 |
0.878 |
215 |
1271 |
|
|
8 |
A' |
1247 |
1093 |
0.876 |
215 |
1272 |
|
|
9 |
A' |
1104 |
1005 |
0.910 |
215 |
1273 |
|
|
10 |
A' |
1072 |
924 |
0.862 |
215 |
1274 |
|
|
11 |
A' |
972 |
891 |
0.916 |
215 |
1275 |
|
|
12 |
A' |
821 |
746 |
0.909 |
215 |
1276 |
|
|
13 |
A' |
537 |
513 |
0.956 |
215 |
1277 |
|
|
14 |
A" |
3334 |
3028 |
0.908 |
215 |
1278 |
|
|
15 |
A" |
3316 |
3000 |
0.905 |
215 |
1279 |
|
|
16 |
A" |
1308 |
1184 |
0.905 |
215 |
1280 |
|
|
17 |
A" |
1270 |
1139 |
0.897 |
215 |
1281 |
|
|
18 |
A" |
1165 |
1046 |
0.898 |
215 |
1282 |
|
|
19 |
A" |
851 |
790 |
0.929 |
215 |
1283 |
|
|
20 |
A" |
565 |
490 |
0.868 |
215 |
1284 |
|
|
21 |
A" |
184 |
113 |
0.615 |
215 |
1285 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3259 |
2966 |
0.910 |
216 |
1286 |
|
|
1 |
A |
3289 |
2980 |
0.906 |
216 |
1287 |
|
|
2 |
A |
3264 |
2967 |
0.909 |
216 |
1288 |
|
|
2 |
A' |
3229 |
2872 |
0.890 |
216 |
1289 |
|
|
3 |
A' |
3188 |
2872 |
0.901 |
216 |
1290 |
|
|
3 |
A |
3247 |
2930 |
0.902 |
216 |
1291 |
|
|
4 |
A |
3228 |
2902 |
0.899 |
216 |
1292 |
|
|
4 |
A' |
2849 |
2580 |
0.906 |
216 |
1293 |
|
|
5 |
A' |
1635 |
1453 |
0.889 |
216 |
1294 |
|
|
5 |
A |
3181 |
2875 |
0.904 |
216 |
1295 |
|
|
6 |
A |
2847 |
2591 |
0.910 |
216 |
1296 |
|
|
6 |
A' |
1627 |
1453 |
0.893 |
216 |
1297 |
|
|
7 |
A' |
1550 |
1385 |
0.894 |
216 |
1298 |
|
|
7 |
A |
1629 |
1462 |
0.898 |
216 |
1299 |
|
|
8 |
A |
1622 |
1452 |
0.895 |
216 |
1300 |
|
|
8 |
A' |
1434 |
1309 |
0.913 |
216 |
1301 |
|
|
9 |
A' |
1204 |
1097 |
0.911 |
216 |
1302 |
|
|
9 |
A |
1614 |
1437 |
0.890 |
216 |
1303 |
|
|
10 |
A |
1547 |
1377 |
0.890 |
216 |
1304 |
|
|
10 |
A' |
1053 |
978 |
0.929 |
216 |
1305 |
|
|
11 |
A' |
940 |
870 |
0.926 |
216 |
1306 |
|
|
11 |
A |
1440 |
1269 |
0.881 |
216 |
1307 |
|
|
12 |
A |
1389 |
1246 |
0.897 |
216 |
1308 |
|
|
12 |
A' |
729 |
660 |
0.906 |
216 |
1309 |
|
|
13 |
A' |
323 |
332 |
1.028 |
216 |
1310 |
|
|
13 |
A |
1222 |
1093 |
0.894 |
216 |
1311 |
|
|
14 |
A |
1151 |
1051 |
0.913 |
216 |
1312 |
|
|
14 |
A" |
3289 |
2966 |
0.902 |
216 |
1313 |
|
|
15 |
A" |
3260 |
2930 |
0.899 |
216 |
1314 |
|
|
15 |
A |
1047 |
970 |
0.926 |
216 |
1315 |
|
|
16 |
A |
940 |
867 |
0.923 |
216 |
1316 |
|
|
16 |
A" |
1625 |
1453 |
0.894 |
216 |
1317 |
|
|
17 |
A" |
1376 |
1269 |
0.922 |
216 |
1318 |
|
|
17 |
A |
787 |
735 |
0.934 |
216 |
1319 |
|
|
18 |
A |
718 |
658 |
0.916 |
216 |
1320 |
|
|
18 |
A" |
1138 |
1049 |
0.921 |
216 |
1321 |
|
|
19 |
A" |
844 |
745 |
0.883 |
216 |
1322 |
|
|
19 |
A |
347 |
319 |
0.919 |
216 |
1323 |
|
|
20 |
A |
273 |
|
|
216 |
1324 |
|
|
21 |
A |
219 |
|
|
216 |
1325 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3296 |
2997 |
0.909 |
217 |
1326 |
|
|
2 |
A1 |
3196 |
2925 |
0.915 |
217 |
1327 |
|
|
3 |
A1 |
1621 |
1447 |
0.893 |
217 |
1328 |
|
|
4 |
A1 |
1515 |
1337 |
0.882 |
217 |
1329 |
|
|
5 |
A1 |
1152 |
1030 |
0.894 |
217 |
1330 |
|
|
6 |
A1 |
752 |
695 |
0.925 |
217 |
1331 |
|
|
7 |
A1 |
280 |
280 |
0.999 |
217 |
1332 |
|
|
8 |
A2 |
3282 |
2970 |
0.905 |
217 |
1333 |
|
|
9 |
A2 |
1600 |
1427 |
0.892 |
217 |
1334 |
|
|
10 |
A2 |
1043 |
946 |
0.907 |
217 |
1335 |
|
|
11 |
A2 |
188 |
175 |
0.933 |
217 |
1336 |
|
|
12 |
B1 |
3279 |
2970 |
0.906 |
217 |
1337 |
|
|
13 |
B1 |
1609 |
1439 |
0.894 |
217 |
1338 |
|
|
14 |
B1 |
1077 |
973 |
0.903 |
217 |
1339 |
|
|
15 |
B1 |
199 |
183 |
0.921 |
217 |
1340 |
|
|
16 |
B2 |
3296 |
2999 |
0.910 |
217 |
1341 |
|
|
17 |
B2 |
3195 |
2919 |
0.913 |
217 |
1342 |
|
|
18 |
B2 |
1613 |
1442 |
0.894 |
217 |
1343 |
|
|
19 |
B2 |
1488 |
1315 |
0.884 |
217 |
1344 |
|
|
20 |
B2 |
998 |
903 |
0.905 |
217 |
1345 |
|
|
21 |
B2 |
815 |
742 |
0.910 |
217 |
1346 |
C4H4S |
Thiophene |
1 |
A1 |
3419 |
3126 |
0.914 |
218 |
1347 |
|
|
2 |
A1 |
3385 |
3098 |
0.915 |
218 |
1348 |
|
|
3 |
A1 |
1558 |
1409 |
0.905 |
218 |
1349 |
|
|
4 |
A1 |
1511 |
1360 |
0.900 |
218 |
1350 |
|
|
5 |
A1 |
1191 |
1083 |
0.909 |
218 |
1351 |
|
|
6 |
A1 |
1090 |
1036 |
0.951 |
218 |
1352 |
|
|
7 |
A1 |
883 |
872 |
0.987 |
218 |
1353 |
|
|
8 |
A1 |
651 |
608 |
0.934 |
218 |
1354 |
|
|
9 |
A2 |
1042 |
867 |
0.832 |
218 |
1355 |
|
|
10 |
A2 |
794 |
688 |
0.867 |
218 |
1356 |
|
|
11 |
A2 |
606 |
567 |
0.936 |
218 |
1357 |
|
|
12 |
B1 |
1018 |
839 |
0.824 |
218 |
1358 |
|
|
13 |
B1 |
805 |
712 |
0.884 |
218 |
1359 |
|
|
14 |
B1 |
474 |
452 |
0.954 |
218 |
1360 |
|
|
15 |
B2 |
3416 |
3125 |
0.915 |
218 |
1361 |
|
|
16 |
B2 |
3370 |
3086 |
0.916 |
218 |
1362 |
|
|
17 |
B2 |
1698 |
1504 |
0.886 |
218 |
1363 |
|
|
18 |
B2 |
1388 |
1256 |
0.905 |
218 |
1364 |
|
|
19 |
B2 |
1196 |
1085 |
0.907 |
218 |
1365 |
|
|
20 |
B2 |
943 |
903 |
0.957 |
218 |
1366 |
|
|
21 |
B2 |
801 |
751 |
0.938 |
218 |
1367 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3394 |
3087 |
0.910 |
219 |
1368 |
|
|
2 |
Ag |
3322 |
3003 |
0.904 |
219 |
1369 |
|
|
3 |
Ag |
3300 |
2992 |
0.907 |
219 |
1370 |
|
|
4 |
Ag |
1849 |
1630 |
0.881 |
219 |
1371 |
|
|
5 |
Ag |
1591 |
1438 |
0.904 |
219 |
1372 |
|
|
6 |
Ag |
1410 |
1280 |
0.908 |
219 |
1373 |
|
|
7 |
Ag |
1305 |
1196 |
0.916 |
219 |
1374 |
|
|
8 |
Ag |
944 |
894 |
0.947 |
219 |
1375 |
|
|
9 |
Ag |
540 |
512 |
0.948 |
219 |
1376 |
|
|
10 |
Au |
1143 |
1013 |
0.886 |
219 |
1377 |
|
|
11 |
Au |
1055 |
908 |
0.860 |
219 |
1378 |
|
|
12 |
Au |
576 |
522 |
0.907 |
219 |
1379 |
|
|
13 |
Au |
168 |
162 |
0.966 |
219 |
1380 |
|
|
14 |
Bg |
1095 |
976 |
0.891 |
219 |
1381 |
|
|
15 |
Bg |
1053 |
912 |
0.866 |
219 |
1382 |
|
|
16 |
Bg |
836 |
770 |
0.921 |
219 |
1383 |
|
|
17 |
Bu |
3395 |
3101 |
0.913 |
219 |
1384 |
|
|
18 |
Bu |
3326 |
3055 |
0.918 |
219 |
1385 |
|
|
19 |
Bu |
3303 |
2984 |
0.903 |
219 |
1386 |
|
|
20 |
Bu |
1771 |
1596 |
0.901 |
219 |
1387 |
|
|
21 |
Bu |
1519 |
1381 |
0.909 |
219 |
1388 |
|
|
22 |
Bu |
1414 |
1294 |
0.915 |
219 |
1389 |
|
|
23 |
Bu |
1070 |
990 |
0.925 |
219 |
1390 |
|
|
24 |
Bu |
314 |
301 |
0.959 |
219 |
1391 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3199 |
2916 |
0.912 |
220 |
1392 |
|
|
2 |
A1' |
2512 |
2240 |
0.892 |
220 |
1393 |
|
|
3 |
A1' |
1547 |
1380 |
0.892 |
220 |
1394 |
|
|
4 |
A1' |
741 |
725 |
0.978 |
220 |
1395 |
|
|
6 |
A2" |
3198 |
2938 |
0.919 |
220 |
1396 |
|
|
7 |
A2" |
1541 |
1382 |
0.897 |
220 |
1397 |
|
|
8 |
A2" |
1194 |
1152 |
0.965 |
220 |
1398 |
|
|
9 |
E' |
3270 |
2973 |
0.909 |
220 |
1399 |
|
|
10 |
E' |
1616 |
1456 |
0.901 |
220 |
1400 |
|
|
11 |
E' |
1160 |
1054 |
0.909 |
220 |
1401 |
|
|
12 |
E' |
226 |
213 |
0.941 |
220 |
1402 |
|
|
13 |
E" |
3270 |
2966 |
0.907 |
220 |
1403 |
|
|
14 |
E" |
1616 |
1448 |
0.896 |
220 |
1404 |
|
|
15 |
E" |
1147 |
1029 |
0.897 |
220 |
1405 |
|
|
16 |
E" |
466 |
371 |
0.795 |
220 |
1406 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3308 |
3061 |
0.925 |
221 |
1407 |
|
|
2 |
A' |
3292 |
3010 |
0.914 |
221 |
1408 |
|
|
3 |
A' |
3279 |
2965 |
0.904 |
221 |
1409 |
|
|
4 |
A' |
3184 |
2905 |
0.912 |
221 |
1410 |
|
|
5 |
A' |
2163 |
1970 |
0.911 |
221 |
1411 |
|
|
6 |
A' |
1632 |
1453 |
0.890 |
221 |
1412 |
|
|
7 |
A' |
1599 |
1437 |
0.899 |
221 |
1413 |
|
|
8 |
A' |
1546 |
1389 |
0.898 |
221 |
1414 |
|
|
9 |
A' |
1469 |
1330 |
0.906 |
221 |
1415 |
|
|
10 |
A' |
1216 |
1132 |
0.931 |
221 |
1416 |
|
|
11 |
A' |
1183 |
1074 |
0.908 |
221 |
1417 |
|
|
12 |
A' |
987 |
876 |
0.888 |
221 |
1418 |
|
|
13 |
A' |
927 |
859 |
0.927 |
221 |
1419 |
|
|
14 |
A' |
618 |
555 |
0.898 |
221 |
1420 |
|
|
15 |
A' |
234 |
210 |
0.898 |
221 |
1421 |
|
|
16 |
A" |
3377 |
3061 |
0.906 |
221 |
1422 |
|
|
17 |
A" |
3241 |
2965 |
0.915 |
221 |
1423 |
|
|
18 |
A" |
1616 |
1453 |
0.899 |
221 |
1424 |
|
|
19 |
A" |
1161 |
1110 |
0.956 |
221 |
1425 |
|
|
20 |
A" |
1117 |
1011 |
0.905 |
221 |
1426 |
|
|
21 |
A" |
975 |
842 |
0.864 |
221 |
1427 |
|
|
22 |
A" |
585 |
523 |
0.894 |
221 |
1428 |
|
|
23 |
A" |
385 |
322 |
0.836 |
221 |
1429 |
C4H6 |
Cyclobutene |
1 |
A1 |
3370 |
3060 |
0.908 |
222 |
1430 |
|
|
2 |
A1 |
3203 |
2935 |
0.916 |
222 |
1431 |
|
|
3 |
A1 |
1752 |
1570 |
0.896 |
222 |
1432 |
|
|
4 |
A1 |
1633 |
1450 |
0.888 |
222 |
1433 |
|
|
5 |
A1 |
1357 |
1276 |
0.940 |
222 |
1434 |
|
|
6 |
A1 |
1210 |
1186 |
0.980 |
222 |
1435 |
|
|
7 |
A1 |
1063 |
1113 |
1.048 |
222 |
1436 |
|
|
8 |
A1 |
959 |
886 |
0.924 |
222 |
1437 |
|
|
9 |
A2 |
3233 |
2955 |
0.914 |
222 |
1438 |
|
|
10 |
A2 |
1282 |
1276 |
0.995 |
222 |
1439 |
|
|
11 |
A2 |
1135 |
1081 |
0.952 |
222 |
1440 |
|
|
12 |
A2 |
1036 |
850 |
0.821 |
222 |
1441 |
|
|
13 |
A2 |
339 |
325 |
0.958 |
222 |
1442 |
|
|
14 |
B1 |
3251 |
2955 |
0.909 |
222 |
1443 |
|
|
15 |
B1 |
1197 |
1074 |
0.897 |
222 |
1444 |
|
|
16 |
B1 |
937 |
846 |
0.903 |
222 |
1445 |
|
|
17 |
B1 |
714 |
635 |
0.890 |
222 |
1446 |
|
|
18 |
B2 |
3337 |
3047 |
0.913 |
222 |
1447 |
|
|
19 |
B2 |
3191 |
2916 |
0.914 |
222 |
1448 |
|
|
20 |
B2 |
1606 |
1427 |
0.889 |
222 |
1449 |
|
|
21 |
B2 |
1446 |
1294 |
0.895 |
222 |
1450 |
|
|
22 |
B2 |
1352 |
1214 |
0.898 |
222 |
1451 |
|
|
23 |
B2 |
959 |
888 |
0.926 |
222 |
1452 |
|
|
24 |
B2 |
929 |
740 |
0.797 |
222 |
1453 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3293 |
3010 |
0.914 |
223 |
1454 |
|
|
2 |
A1 |
3272 |
3002 |
0.918 |
223 |
1455 |
|
|
3 |
A1 |
1947 |
1743 |
0.895 |
223 |
1456 |
|
|
4 |
A1 |
1614 |
1437 |
0.890 |
223 |
1457 |
|
|
5 |
A1 |
1560 |
1410 |
0.904 |
223 |
1458 |
|
|
6 |
A1 |
1160 |
1036 |
0.893 |
223 |
1459 |
|
|
7 |
A1 |
1120 |
1002 |
0.895 |
223 |
1460 |
|
|
8 |
A1 |
790 |
723 |
0.915 |
223 |
1461 |
|
|
9 |
A2 |
3348 |
3051 |
0.911 |
223 |
1462 |
|
|
10 |
A2 |
1271 |
1144 |
0.900 |
223 |
1463 |
|
|
11 |
A2 |
1035 |
937 |
0.905 |
223 |
1464 |
|
|
12 |
A2 |
663 |
616 |
0.929 |
223 |
1465 |
|
|
13 |
B1 |
3362 |
3071 |
0.914 |
223 |
1466 |
|
|
14 |
B1 |
1197 |
1072 |
0.896 |
223 |
1467 |
|
|
15 |
B1 |
1030 |
889 |
0.863 |
223 |
1468 |
|
|
16 |
B1 |
806 |
748 |
0.928 |
223 |
1469 |
|
|
17 |
B1 |
342 |
360 |
1.053 |
223 |
1470 |
|
|
18 |
B2 |
3381 |
3086 |
0.913 |
223 |
1471 |
|
|
19 |
B2 |
3266 |
2999 |
0.918 |
223 |
1472 |
|
|
20 |
B2 |
1573 |
1353 |
0.860 |
223 |
1473 |
|
|
21 |
B2 |
1230 |
1174 |
0.954 |
223 |
1474 |
|
|
22 |
B2 |
1187 |
1125 |
0.948 |
223 |
1475 |
|
|
23 |
B2 |
965 |
792 |
0.821 |
223 |
1476 |
|
|
24 |
B2 |
371 |
290 |
0.781 |
223 |
1477 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3709 |
3345 |
0.902 |
224 |
1478 |
|
|
2 |
A' |
3235 |
2985 |
0.923 |
224 |
1479 |
|
|
3 |
A' |
3201 |
2840 |
0.887 |
224 |
1480 |
|
|
4 |
A' |
3165 |
2860 |
0.904 |
224 |
1481 |
|
|
5 |
A' |
1839 |
1622 |
0.882 |
224 |
1482 |
|
|
6 |
A' |
1638 |
1487 |
0.908 |
224 |
1483 |
|
|
7 |
A' |
1618 |
1465 |
0.905 |
224 |
1484 |
|
|
8 |
A' |
1548 |
1378 |
0.890 |
224 |
1485 |
|
|
9 |
A' |
1502 |
1397 |
0.930 |
224 |
1486 |
|
|
10 |
A' |
1233 |
1016 |
0.824 |
224 |
1487 |
|
|
11 |
A' |
1147 |
1086 |
0.947 |
224 |
1488 |
|
|
12 |
A' |
977 |
892 |
0.913 |
224 |
1489 |
|
|
13 |
A' |
937 |
773 |
0.825 |
224 |
1490 |
|
|
14 |
A' |
424 |
403 |
0.951 |
224 |
1491 |
|
|
15 |
A" |
3789 |
3412 |
0.901 |
224 |
1492 |
|
|
16 |
A" |
3250 |
2924 |
0.900 |
224 |
1493 |
|
|
17 |
A" |
3219 |
2906 |
0.903 |
224 |
1494 |
|
|
18 |
A" |
1623 |
1455 |
0.896 |
224 |
1495 |
|
|
19 |
A" |
1505 |
1238 |
0.822 |
224 |
1496 |
|
|
20 |
A" |
1375 |
1293 |
0.940 |
224 |
1497 |
|
|
21 |
A" |
1077 |
1117 |
1.038 |
224 |
1498 |
|
|
22 |
A" |
827 |
816 |
0.986 |
224 |
1499 |
|
|
23 |
A" |
306 |
259 |
0.848 |
224 |
1500 |
|
|
24 |
A" |
258 |
218 |
0.844 |
224 |
1501 |
C4H5N |
Pyrrole |
1 |
A1 |
3914 |
3531 |
0.902 |
225 |
1502 |
|
|
2 |
A1 |
3428 |
3149 |
0.918 |
225 |
1503 |
|
|
3 |
A1 |
3405 |
3128 |
0.919 |
225 |
1504 |
|
|
4 |
A1 |
1619 |
1472 |
0.909 |
225 |
1505 |
|
|
5 |
A1 |
1515 |
1401 |
0.925 |
225 |
1506 |
|
|
6 |
A1 |
1239 |
1148 |
0.926 |
225 |
1507 |
|
|
7 |
A1 |
1142 |
1075 |
0.941 |
225 |
1508 |
|
|
8 |
A1 |
1094 |
1017 |
0.930 |
225 |
1509 |
|
|
9 |
A1 |
953 |
882 |
0.925 |
225 |
1510 |
|
|
10 |
A2 |
1003 |
864 |
0.861 |
225 |
1511 |
|
|
11 |
A2 |
802 |
692 |
0.863 |
225 |
1512 |
|
|
12 |
A2 |
671 |
614 |
0.915 |
225 |
1513 |
|
|
13 |
B1 |
968 |
827 |
0.854 |
225 |
1514 |
|
|
14 |
B1 |
824 |
722 |
0.876 |
225 |
1515 |
|
|
15 |
B1 |
674 |
621 |
0.921 |
225 |
1516 |
|
|
16 |
B1 |
473 |
475 |
1.004 |
225 |
1517 |
|
|
17 |
B2 |
3423 |
3143 |
0.918 |
225 |
1518 |
|
|
18 |
B2 |
3393 |
3119 |
0.919 |
225 |
1519 |
|
|
19 |
B2 |
1705 |
1519 |
0.891 |
225 |
1520 |
|
|
20 |
B2 |
1562 |
1424 |
0.912 |
225 |
1521 |
|
|
21 |
B2 |
1415 |
1288 |
0.911 |
225 |
1522 |
|
|
22 |
B2 |
1233 |
1134 |
0.920 |
225 |
1523 |
|
|
23 |
B2 |
1145 |
1049 |
0.916 |
225 |
1524 |
|
|
24 |
B2 |
934 |
866 |
0.927 |
225 |
1525 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3407 |
3120 |
0.916 |
226 |
1526 |
|
|
2 |
A' |
3358 |
3052 |
0.909 |
226 |
1527 |
|
|
3 |
A' |
3307 |
3044 |
0.920 |
226 |
1528 |
|
|
4 |
A' |
2547 |
2264 |
0.889 |
226 |
1529 |
|
|
5 |
A' |
1642 |
1468 |
0.894 |
226 |
1530 |
|
|
6 |
A' |
1493 |
1344 |
0.900 |
226 |
1531 |
|
|
7 |
A' |
1294 |
1195 |
0.923 |
226 |
1532 |
|
|
8 |
A' |
1225 |
1125 |
0.919 |
226 |
1533 |
|
|
9 |
A' |
1182 |
1049 |
0.887 |
226 |
1534 |
|
|
10 |
A' |
1011 |
941 |
0.931 |
226 |
1535 |
|
|
11 |
A' |
859 |
808 |
0.941 |
226 |
1536 |
|
|
12 |
A' |
798 |
736 |
0.922 |
226 |
1537 |
|
|
13 |
A' |
570 |
527 |
0.925 |
226 |
1538 |
|
|
14 |
A' |
231 |
222 |
0.961 |
226 |
1539 |
|
|
15 |
A" |
3393 |
3094 |
0.912 |
226 |
1540 |
|
|
16 |
A" |
3299 |
3040 |
0.922 |
226 |
1541 |
|
|
17 |
A" |
1593 |
1442 |
0.905 |
226 |
1542 |
|
|
18 |
A" |
1302 |
1180 |
0.906 |
226 |
1543 |
|
|
19 |
A" |
1223 |
1070 |
0.875 |
226 |
1544 |
|
|
20 |
A" |
1203 |
1088 |
0.905 |
226 |
1545 |
|
|
21 |
A" |
1006 |
880 |
0.874 |
226 |
1546 |
|
|
22 |
A" |
884 |
821 |
0.928 |
226 |
1547 |
|
|
23 |
A" |
602 |
543 |
0.903 |
226 |
1548 |
|
|
24 |
A" |
235 |
222 |
0.943 |
226 |
1549 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3390 |
3063 |
0.903 |
227 |
1550 |
|
|
2 |
A1 |
3371 |
3043 |
0.903 |
227 |
1551 |
|
|
3 |
A1 |
1757 |
1572 |
0.895 |
227 |
1552 |
|
|
4 |
A1 |
1608 |
1414 |
0.880 |
227 |
1553 |
|
|
5 |
A1 |
1262 |
1283 |
1.017 |
227 |
1554 |
|
|
6 |
A1 |
1206 |
1160 |
0.962 |
227 |
1555 |
|
|
7 |
A1 |
1152 |
1063 |
0.923 |
227 |
1556 |
|
|
8 |
A1 |
1024 |
964 |
0.941 |
227 |
1557 |
|
|
9 |
A1 |
722 |
619 |
0.857 |
227 |
1558 |
|
|
10 |
A2 |
1125 |
936 |
0.832 |
227 |
1559 |
|
|
11 |
A2 |
1040 |
863 |
0.830 |
227 |
1560 |
|
|
12 |
A2 |
817 |
751 |
0.919 |
227 |
1561 |
|
|
13 |
A2 |
425 |
421 |
0.991 |
227 |
1562 |
|
|
14 |
B1 |
1080 |
|
|
227 |
1563 |
|
|
15 |
B1 |
844 |
760 |
0.901 |
227 |
1564 |
|
|
16 |
B1 |
439 |
370 |
0.842 |
227 |
1565 |
|
|
17 |
B2 |
3380 |
3075 |
0.910 |
227 |
1566 |
|
|
18 |
B2 |
3361 |
3043 |
0.905 |
227 |
1567 |
|
|
19 |
B2 |
1760 |
1565 |
0.889 |
227 |
1568 |
|
|
20 |
B2 |
1558 |
1444 |
0.927 |
227 |
1569 |
|
|
21 |
B2 |
1425 |
1239 |
0.870 |
227 |
1570 |
|
|
22 |
B2 |
1148 |
1052 |
0.916 |
227 |
1571 |
|
|
23 |
B2 |
1124 |
1009 |
0.898 |
227 |
1572 |
|
|
24 |
B2 |
672 |
664 |
0.988 |
227 |
1573 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3393 |
3082 |
0.908 |
228 |
1574 |
|
|
2 |
A1 |
3380 |
3053 |
0.903 |
228 |
1575 |
|
|
3 |
A1 |
3354 |
3049 |
0.909 |
228 |
1576 |
|
|
4 |
A1 |
1767 |
1572 |
0.890 |
228 |
1577 |
|
|
5 |
A1 |
1549 |
1465 |
0.946 |
228 |
1578 |
|
|
6 |
A1 |
1241 |
1155 |
0.931 |
228 |
1579 |
|
|
7 |
A1 |
1144 |
1065 |
0.931 |
228 |
1580 |
|
|
8 |
A1 |
1081 |
969 |
0.897 |
228 |
1581 |
|
|
9 |
A1 |
739 |
679 |
0.918 |
228 |
1582 |
|
|
10 |
A2 |
1123 |
960 |
0.855 |
228 |
1583 |
|
|
11 |
A2 |
455 |
398 |
0.874 |
228 |
1584 |
|
|
12 |
B1 |
1146 |
1033 |
0.901 |
228 |
1585 |
|
|
13 |
B1 |
1086 |
980 |
0.903 |
228 |
1586 |
|
|
14 |
B1 |
901 |
804 |
0.892 |
228 |
1587 |
|
|
15 |
B1 |
780 |
719 |
0.922 |
228 |
1588 |
|
|
16 |
B1 |
406 |
347 |
0.854 |
228 |
1589 |
|
|
17 |
B2 |
3359 |
3047 |
0.907 |
228 |
1590 |
|
|
18 |
B2 |
1768 |
1569 |
0.887 |
228 |
1591 |
|
|
19 |
B2 |
1615 |
1411 |
0.873 |
228 |
1592 |
|
|
20 |
B2 |
1504 |
1356 |
0.902 |
228 |
1593 |
|
|
21 |
B2 |
1339 |
1224 |
0.914 |
228 |
1594 |
|
|
22 |
B2 |
1188 |
1158 |
0.975 |
228 |
1595 |
|
|
23 |
B2 |
1125 |
1071 |
0.952 |
228 |
1596 |
|
|
24 |
B2 |
676 |
621 |
0.919 |
228 |
1597 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3382 |
3055 |
0.903 |
229 |
1598 |
|
|
2 |
Ag |
1775 |
1580 |
0.890 |
229 |
1599 |
|
|
3 |
Ag |
1342 |
1233 |
0.918 |
229 |
1600 |
|
|
4 |
Ag |
1104 |
1016 |
0.920 |
229 |
1601 |
|
|
5 |
Ag |
647 |
602 |
0.931 |
229 |
1602 |
|
|
6 |
Au |
1106 |
960 |
0.868 |
229 |
1603 |
|
|
7 |
Au |
418 |
350 |
0.837 |
229 |
1604 |
|
|
8 |
B1g |
1038 |
927 |
0.893 |
229 |
1605 |
|
|
9 |
B1u |
3359 |
3012 |
0.897 |
229 |
1606 |
|
|
10 |
B1u |
1646 |
1483 |
0.901 |
229 |
1607 |
|
|
11 |
B1u |
1247 |
1130 |
0.907 |
229 |
1608 |
|
|
12 |
B1u |
1108 |
1018 |
0.919 |
229 |
1609 |
|
|
13 |
B2g |
1088 |
983 |
0.904 |
229 |
1610 |
|
|
14 |
B2g |
828 |
756 |
0.913 |
229 |
1611 |
|
|
15 |
B2u |
3376 |
3069 |
0.909 |
229 |
1612 |
|
|
16 |
B2u |
1548 |
1411 |
0.911 |
229 |
1613 |
|
|
17 |
B2u |
1178 |
1149 |
0.975 |
229 |
1614 |
|
|
18 |
B2u |
1062 |
1063 |
1.001 |
229 |
1615 |
|
|
19 |
B3g |
3358 |
3040 |
0.905 |
229 |
1616 |
|
|
20 |
B3g |
1736 |
1525 |
0.879 |
229 |
1617 |
|
|
21 |
B3g |
1480 |
1346 |
0.909 |
229 |
1618 |
|
|
22 |
B3g |
765 |
704 |
0.920 |
229 |
1619 |
|
|
23 |
B3u |
888 |
785 |
0.884 |
229 |
1620 |
|
|
24 |
B3u |
482 |
418 |
0.868 |
229 |
1621 |
C3H6O |
2-Propen-1-ol |
1 |
A |
4140 |
3675 |
0.888 |
230 |
1622 |
|
|
2 |
A |
3388 |
3102 |
0.916 |
230 |
1623 |
|
|
3 |
A |
3331 |
3022 |
0.907 |
230 |
1624 |
|
|
4 |
A |
3298 |
2995 |
0.908 |
230 |
1625 |
|
|
5 |
A |
3215 |
2934 |
0.913 |
230 |
1626 |
|
|
6 |
A |
3169 |
2866 |
0.904 |
230 |
1627 |
|
|
7 |
A |
1838 |
1654 |
0.900 |
230 |
1628 |
|
|
8 |
A |
1656 |
1453 |
0.877 |
230 |
1629 |
|
|
9 |
A |
1604 |
1414 |
0.881 |
230 |
1630 |
|
|
10 |
A |
1541 |
1384 |
0.898 |
230 |
1631 |
|
|
11 |
A |
1409 |
1320 |
0.937 |
230 |
1632 |
|
|
12 |
A |
1381 |
1293 |
0.936 |
230 |
1633 |
|
|
13 |
A |
1347 |
1191 |
0.884 |
230 |
1634 |
|
|
14 |
A |
1252 |
1132 |
0.904 |
230 |
1635 |
|
|
15 |
A |
1171 |
1110 |
0.948 |
230 |
1636 |
|
|
16 |
A |
1124 |
1038 |
0.923 |
230 |
1637 |
|
|
17 |
A |
1064 |
995 |
0.935 |
230 |
1638 |
|
|
18 |
A |
1043 |
919 |
0.881 |
230 |
1639 |
|
|
19 |
A |
974 |
885 |
0.909 |
230 |
1640 |
|
|
20 |
A |
701 |
606 |
0.864 |
230 |
1641 |
|
|
22 |
A |
357 |
377 |
1.058 |
230 |
1642 |
|
|
23 |
A |
281 |
277 |
0.988 |
230 |
1643 |
|
|
24 |
A |
119 |
188 |
1.579 |
230 |
1644 |
CH3CH2CHO |
Propanal |
1 |
A' |
3266 |
2981 |
0.913 |
231 |
1645 |
|
|
2 |
A' |
3198 |
2904 |
0.908 |
231 |
1646 |
|
|
3 |
A' |
3180 |
2895 |
0.910 |
231 |
1647 |
|
|
4 |
A' |
3121 |
2809 |
0.900 |
231 |
1648 |
|
|
5 |
A' |
1973 |
1743 |
0.883 |
231 |
1649 |
|
|
6 |
A' |
1629 |
1460 |
0.896 |
231 |
1650 |
|
|
7 |
A' |
1598 |
1416 |
0.886 |
231 |
1651 |
|
|
8 |
A' |
1557 |
1390 |
0.893 |
231 |
1652 |
|
|
9 |
A' |
1529 |
1376 |
0.900 |
231 |
1653 |
|
|
10 |
A' |
1502 |
1335 |
0.889 |
231 |
1654 |
|
|
11 |
A' |
1195 |
1093 |
0.915 |
231 |
1655 |
|
|
12 |
A' |
1065 |
993 |
0.933 |
231 |
1656 |
|
|
13 |
A' |
901 |
848 |
0.941 |
231 |
1657 |
|
|
14 |
A' |
709 |
668 |
0.943 |
231 |
1658 |
|
|
15 |
A' |
269 |
271 |
1.008 |
231 |
1659 |
|
|
16 |
A" |
3281 |
2992 |
0.912 |
231 |
1660 |
|
|
17 |
A" |
3207 |
2942 |
0.917 |
231 |
1661 |
|
|
18 |
A" |
1623 |
1451 |
0.894 |
231 |
1662 |
|
|
19 |
A" |
1392 |
1250 |
0.898 |
231 |
1663 |
|
|
20 |
A" |
1259 |
1118 |
0.888 |
231 |
1664 |
|
|
21 |
A" |
974 |
892 |
0.916 |
231 |
1665 |
|
|
22 |
A" |
728 |
660 |
0.907 |
231 |
1666 |
|
|
23 |
A" |
246 |
220 |
0.895 |
231 |
1667 |
|
|
24 |
A" |
133 |
135 |
1.012 |
231 |
1668 |
C3H6O |
Oxetane |
1 |
A1 |
3238 |
2959 |
0.914 |
232 |
1669 |
|
|
2 |
A1 |
3210 |
2930 |
0.913 |
232 |
1670 |
|
|
3 |
A1 |
1686 |
1473 |
0.874 |
232 |
1671 |
|
|
4 |
A1 |
1627 |
1461 |
0.898 |
232 |
1672 |
|
|
5 |
A1 |
1525 |
1342 |
0.880 |
232 |
1673 |
|
|
6 |
A1 |
1135 |
1134 |
0.999 |
232 |
1674 |
|
|
7 |
A1 |
1022 |
1018 |
0.996 |
232 |
1675 |
|
|
8 |
A1 |
892 |
908 |
1.018 |
232 |
1676 |
|
|
9 |
A2 |
3256 |
3000 |
0.921 |
232 |
1677 |
|
|
10 |
A2 |
1336 |
1283 |
0.960 |
232 |
1678 |
|
|
11 |
A2 |
1262 |
1185 |
0.939 |
232 |
1679 |
|
|
12 |
A2 |
891 |
986 |
1.106 |
232 |
1680 |
|
|
13 |
B1 |
3293 |
3007 |
0.913 |
232 |
1681 |
|
|
14 |
B1 |
3251 |
2940 |
0.904 |
232 |
1682 |
|
|
15 |
B1 |
1307 |
1225 |
0.937 |
232 |
1683 |
|
|
16 |
B1 |
1260 |
1142 |
0.906 |
232 |
1684 |
|
|
17 |
B1 |
814 |
836 |
1.028 |
232 |
1685 |
|
|
18 |
B1 |
85 |
90 |
1.062 |
232 |
1686 |
|
|
19 |
B2 |
3204 |
2966 |
0.926 |
232 |
1687 |
|
|
20 |
B2 |
1655 |
1508 |
0.911 |
232 |
1688 |
|
|
21 |
B2 |
1438 |
1458 |
1.014 |
232 |
1689 |
|
|
22 |
B2 |
1388 |
1363 |
0.982 |
232 |
1690 |
|
|
23 |
B2 |
1163 |
1228 |
1.056 |
232 |
1691 |
|
|
24 |
B2 |
1002 |
936 |
0.934 |
232 |
1692 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3319 |
3018 |
0.909 |
233 |
1693 |
|
|
2 |
A |
3312 |
2985 |
0.901 |
233 |
1694 |
|
|
3 |
A |
3251 |
2958 |
0.910 |
233 |
1695 |
|
|
4 |
A |
3219 |
2945 |
0.915 |
233 |
1696 |
|
|
5 |
A |
3180 |
2922 |
0.919 |
233 |
1697 |
|
|
6 |
A |
2557 |
2245 |
0.878 |
233 |
1698 |
|
|
7 |
A |
1641 |
1472 |
0.897 |
233 |
1699 |
|
|
8 |
A |
1631 |
1452 |
0.890 |
233 |
1700 |
|
|
9 |
A |
1630 |
1439 |
0.883 |
233 |
1701 |
|
|
10 |
A |
1611 |
1431 |
0.888 |
233 |
1702 |
|
|
11 |
A |
1524 |
1368 |
0.898 |
233 |
1703 |
|
|
12 |
A |
1433 |
1287 |
0.898 |
233 |
1704 |
|
|
13 |
A |
1349 |
1199 |
0.889 |
233 |
1705 |
|
|
14 |
A |
1290 |
1161 |
0.900 |
233 |
1706 |
|
|
15 |
A |
1274 |
1127 |
0.884 |
233 |
1707 |
|
|
16 |
A |
1135 |
1016 |
0.895 |
233 |
1708 |
|
|
17 |
A |
1029 |
925 |
0.899 |
233 |
1709 |
|
|
18 |
A |
939 |
890 |
0.948 |
233 |
1710 |
|
|
19 |
A |
640 |
586 |
0.915 |
233 |
1711 |
|
|
20 |
A |
419 |
404 |
0.963 |
233 |
1712 |
|
|
21 |
A |
399 |
347 |
0.870 |
233 |
1713 |
|
|
22 |
A |
280 |
243 |
0.867 |
233 |
1714 |
|
|
23 |
A |
184 |
170 |
0.926 |
233 |
1715 |
|
|
24 |
A |
115 |
113 |
0.982 |
233 |
1716 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3317 |
2990 |
0.901 |
234 |
1717 |
|
|
2 |
A |
3298 |
2983 |
0.904 |
234 |
1718 |
|
|
3 |
A |
3208 |
2913 |
0.908 |
234 |
1719 |
|
|
4 |
A |
1610 |
1426 |
0.885 |
234 |
1720 |
|
|
5 |
A |
1600 |
1419 |
0.887 |
234 |
1721 |
|
|
6 |
A |
1500 |
1311 |
0.874 |
234 |
1722 |
|
|
7 |
A |
1070 |
955 |
0.892 |
234 |
1723 |
|
|
8 |
A |
1068 |
949 |
0.889 |
234 |
1724 |
|
|
9 |
A |
770 |
694 |
0.901 |
234 |
1725 |
|
|
10 |
A |
558 |
509 |
0.912 |
234 |
1726 |
|
|
11 |
A |
251 |
240 |
0.958 |
234 |
1727 |
|
|
12 |
A |
169 |
134 |
0.795 |
234 |
1728 |
|
|
13 |
A |
99 |
117 |
1.184 |
234 |
1729 |
|
|
14 |
B |
3316 |
2990 |
0.902 |
234 |
1730 |
|
|
15 |
B |
3297 |
2983 |
0.905 |
234 |
1731 |
|
|
16 |
B |
3205 |
2915 |
0.909 |
234 |
1732 |
|
|
17 |
B |
1614 |
1430 |
0.886 |
234 |
1733 |
|
|
18 |
B |
1595 |
1415 |
0.887 |
234 |
1734 |
|
|
19 |
B |
1492 |
1303 |
0.873 |
234 |
1735 |
|
|
20 |
B |
1075 |
955 |
0.888 |
234 |
1736 |
|
|
21 |
B |
1059 |
949 |
0.896 |
234 |
1737 |
|
|
22 |
B |
763 |
691 |
0.905 |
234 |
1738 |
|
|
23 |
B |
279 |
274 |
0.982 |
234 |
1739 |
|
|
24 |
B |
176 |
134 |
0.760 |
234 |
1740 |
C3H8 |
Propane |
1 |
A1 |
3241 |
2977 |
0.918 |
235 |
1741 |
|
|
2 |
A1 |
3181 |
2962 |
0.931 |
235 |
1742 |
|
|
3 |
A1 |
3170 |
2887 |
0.911 |
235 |
1743 |
|
|
4 |
A1 |
1643 |
1476 |
0.898 |
235 |
1744 |
|
|
5 |
A1 |
1621 |
1462 |
0.902 |
235 |
1745 |
|
|
6 |
A1 |
1553 |
1392 |
0.897 |
235 |
1746 |
|
|
7 |
A1 |
1270 |
1158 |
0.912 |
235 |
1747 |
|
|
8 |
A1 |
920 |
869 |
0.944 |
235 |
1748 |
|
|
9 |
A1 |
386 |
369 |
0.957 |
235 |
1749 |
|
|
10 |
A2 |
3229 |
2967 |
0.919 |
235 |
1750 |
|
|
11 |
A2 |
1619 |
1451 |
0.896 |
235 |
1751 |
|
|
12 |
A2 |
1419 |
1278 |
0.901 |
235 |
1752 |
|
|
13 |
A2 |
969 |
940 |
0.970 |
235 |
1753 |
|
|
14 |
A2 |
227 |
216 |
0.950 |
235 |
1754 |
|
|
15 |
B1 |
3246 |
2973 |
0.916 |
235 |
1755 |
|
|
16 |
B1 |
3200 |
2968 |
0.927 |
235 |
1756 |
|
|
17 |
B1 |
1637 |
1472 |
0.899 |
235 |
1757 |
|
|
18 |
B1 |
1316 |
1192 |
0.906 |
235 |
1758 |
|
|
19 |
B1 |
796 |
748 |
0.940 |
235 |
1759 |
|
|
20 |
B1 |
288 |
268 |
0.930 |
235 |
1760 |
|
|
21 |
B2 |
3237 |
2968 |
0.917 |
235 |
1761 |
|
|
22 |
B2 |
3168 |
2887 |
0.911 |
235 |
1762 |
|
|
23 |
B2 |
1627 |
1464 |
0.900 |
235 |
1763 |
|
|
24 |
B2 |
1547 |
1378 |
0.891 |
235 |
1764 |
|
|
25 |
B2 |
1483 |
1338 |
0.902 |
235 |
1765 |
|
|
26 |
B2 |
1116 |
1054 |
0.944 |
235 |
1766 |
|
|
27 |
B2 |
998 |
922 |
0.924 |
235 |
1767 |
C5H5N |
Pyridine |
1 |
A1 |
3382 |
3094 |
0.915 |
236 |
1768 |
|
|
2 |
A1 |
3357 |
3073 |
0.915 |
236 |
1769 |
|
|
3 |
A1 |
3345 |
3030 |
0.906 |
236 |
1770 |
|
|
4 |
A1 |
1767 |
1584 |
0.896 |
236 |
1771 |
|
|
5 |
A1 |
1633 |
1483 |
0.908 |
236 |
1772 |
|
|
6 |
A1 |
1328 |
1218 |
0.917 |
236 |
1773 |
|
|
7 |
A1 |
1163 |
1072 |
0.922 |
236 |
1774 |
|
|
8 |
A1 |
1106 |
1032 |
0.933 |
236 |
1775 |
|
|
9 |
A1 |
1070 |
991 |
0.926 |
236 |
1776 |
|
|
10 |
A1 |
650 |
601 |
0.925 |
236 |
1777 |
|
|
11 |
A2 |
1122 |
980 |
0.873 |
236 |
1778 |
|
|
12 |
A2 |
983 |
880 |
0.895 |
236 |
1779 |
|
|
13 |
A2 |
431 |
373 |
0.866 |
236 |
1780 |
|
|
14 |
B1 |
1131 |
1007 |
0.890 |
236 |
1781 |
|
|
15 |
B1 |
1070 |
937 |
0.875 |
236 |
1782 |
|
|
16 |
B1 |
831 |
744 |
0.895 |
236 |
1783 |
|
|
17 |
B1 |
771 |
700 |
0.909 |
236 |
1784 |
|
|
18 |
B1 |
457 |
403 |
0.882 |
236 |
1785 |
|
|
19 |
B2 |
3374 |
3087 |
0.915 |
236 |
1786 |
|
|
20 |
B2 |
3347 |
3042 |
0.909 |
236 |
1787 |
|
|
21 |
B2 |
1756 |
1581 |
0.900 |
236 |
1788 |
|
|
22 |
B2 |
1580 |
1442 |
0.913 |
236 |
1789 |
|
|
23 |
B2 |
1490 |
1362 |
0.914 |
236 |
1790 |
|
|
24 |
B2 |
1288 |
1227 |
0.952 |
236 |
1791 |
|
|
25 |
B2 |
1153 |
1143 |
0.992 |
236 |
1792 |
|
|
26 |
B2 |
1130 |
1079 |
0.955 |
236 |
1793 |
|
|
27 |
B2 |
707 |
652 |
0.922 |
236 |
1794 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3350 |
3058 |
0.913 |
237 |
1795 |
|
|
2 |
A' |
3308 |
2995 |
0.905 |
237 |
1796 |
|
|
3 |
A' |
3277 |
2963 |
0.904 |
237 |
1797 |
|
|
4 |
A' |
3186 |
2938 |
0.922 |
237 |
1798 |
|
|
5 |
A' |
3141 |
2805 |
0.893 |
237 |
1799 |
|
|
6 |
A' |
1952 |
1720 |
0.881 |
237 |
1800 |
|
|
7 |
A' |
1832 |
1649 |
0.900 |
237 |
1801 |
|
|
8 |
A' |
1617 |
1455 |
0.900 |
237 |
1802 |
|
|
9 |
A' |
1549 |
1391 |
0.898 |
237 |
1803 |
|
|
10 |
A' |
1536 |
1375 |
0.895 |
237 |
1804 |
|
|
11 |
A' |
1425 |
1304 |
0.915 |
237 |
1805 |
|
|
12 |
A' |
1380 |
1253 |
0.908 |
237 |
1806 |
|
|
13 |
A' |
1247 |
1147 |
0.920 |
237 |
1807 |
|
|
14 |
A' |
1147 |
1074 |
0.937 |
237 |
1808 |
|
|
15 |
A' |
999 |
973 |
0.974 |
237 |
1809 |
|
|
16 |
A' |
572 |
539 |
0.942 |
237 |
1810 |
|
|
17 |
A' |
482 |
464 |
0.962 |
237 |
1811 |
|
|
18 |
A' |
222 |
230 |
1.036 |
237 |
1812 |
|
|
19 |
A" |
3244 |
2980 |
0.919 |
237 |
1813 |
|
|
20 |
A" |
1611 |
1455 |
0.903 |
237 |
1814 |
|
|
21 |
A" |
1178 |
1042 |
0.884 |
237 |
1815 |
|
|
22 |
A" |
1126 |
973 |
0.864 |
237 |
1816 |
|
|
23 |
A" |
1091 |
928 |
0.851 |
237 |
1817 |
|
|
24 |
A" |
853 |
780 |
0.914 |
237 |
1818 |
|
|
25 |
A" |
303 |
295 |
0.973 |
237 |
1819 |
|
|
26 |
A" |
204 |
173 |
0.846 |
237 |
1820 |
|
|
27 |
A" |
133 |
122 |
0.919 |
237 |
1821 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3334 |
3035 |
0.910 |
238 |
1822 |
|
|
2 |
A' |
3328 |
3031 |
0.911 |
238 |
1823 |
|
|
3 |
A' |
3229 |
2966 |
0.919 |
238 |
1824 |
|
|
4 |
A' |
3215 |
2964 |
0.922 |
238 |
1825 |
|
|
5 |
A' |
1961 |
1771 |
0.903 |
238 |
1826 |
|
|
6 |
A' |
1633 |
1460 |
0.894 |
238 |
1827 |
|
|
7 |
A' |
1616 |
1440 |
0.891 |
238 |
1828 |
|
|
8 |
A' |
1602 |
1430 |
0.892 |
238 |
1829 |
|
|
9 |
A' |
1546 |
1375 |
0.889 |
238 |
1830 |
|
|
10 |
A' |
1411 |
1248 |
0.885 |
238 |
1831 |
|
|
11 |
A' |
1328 |
1159 |
0.873 |
238 |
1832 |
|
|
12 |
A' |
1189 |
1060 |
0.892 |
238 |
1833 |
|
|
13 |
A' |
1070 |
980 |
0.916 |
238 |
1834 |
|
|
14 |
A' |
938 |
844 |
0.900 |
238 |
1835 |
|
|
15 |
A' |
685 |
639 |
0.933 |
238 |
1836 |
|
|
16 |
A' |
448 |
429 |
0.958 |
238 |
1837 |
|
|
17 |
A' |
301 |
303 |
1.007 |
238 |
1838 |
|
|
18 |
A" |
3317 |
3005 |
0.906 |
238 |
1839 |
|
|
19 |
A" |
3286 |
2994 |
0.911 |
238 |
1840 |
|
|
20 |
A" |
1625 |
1460 |
0.898 |
238 |
1841 |
|
|
21 |
A" |
1608 |
1430 |
0.889 |
238 |
1842 |
|
|
22 |
A" |
1289 |
1187 |
0.921 |
238 |
1843 |
|
|
23 |
A" |
1171 |
1036 |
0.885 |
238 |
1844 |
|
|
24 |
A" |
658 |
607 |
0.923 |
238 |
1845 |
|
|
25 |
A" |
191 |
187 |
0.977 |
238 |
1846 |
|
|
26 |
A" |
162 |
136 |
0.841 |
238 |
1847 |
|
|
27 |
A" |
77 |
110 |
1.421 |
238 |
1848 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3299 |
3005 |
0.911 |
239 |
1849 |
|
|
2 |
A' |
3275 |
2955 |
0.902 |
239 |
1850 |
|
|
3 |
A' |
3259 |
2927 |
0.898 |
239 |
1851 |
|
|
4 |
A' |
3191 |
2878 |
0.902 |
239 |
1852 |
|
|
5 |
A' |
1636 |
1472 |
0.900 |
239 |
1853 |
|
|
6 |
A' |
1623 |
1454 |
0.896 |
239 |
1854 |
|
|
7 |
A' |
1559 |
1390 |
0.891 |
239 |
1855 |
|
|
8 |
A' |
1413 |
1270 |
0.899 |
239 |
1856 |
|
|
9 |
A' |
1286 |
1163 |
0.904 |
239 |
1857 |
|
|
10 |
A' |
1175 |
1065 |
0.906 |
239 |
1858 |
|
|
11 |
A' |
951 |
888 |
0.934 |
239 |
1859 |
|
|
12 |
A' |
669 |
633 |
0.946 |
239 |
1860 |
|
|
13 |
A' |
446 |
418 |
0.938 |
239 |
1861 |
|
|
14 |
A' |
356 |
336 |
0.943 |
239 |
1862 |
|
|
15 |
A' |
286 |
253 |
0.885 |
239 |
1863 |
|
|
16 |
A" |
3282 |
2997 |
0.913 |
239 |
1864 |
|
|
17 |
A" |
3256 |
2985 |
0.917 |
239 |
1865 |
|
|
18 |
A" |
3184 |
2947 |
0.926 |
239 |
1866 |
|
|
19 |
A" |
1616 |
1472 |
0.911 |
239 |
1867 |
|
|
20 |
A" |
1613 |
1454 |
0.902 |
239 |
1868 |
|
|
21 |
A" |
1550 |
1377 |
0.889 |
239 |
1869 |
|
|
22 |
A" |
1478 |
1334 |
0.903 |
239 |
1870 |
|
|
23 |
A" |
1228 |
1123 |
0.915 |
239 |
1871 |
|
|
24 |
A" |
1025 |
972 |
0.948 |
239 |
1872 |
|
|
25 |
A" |
1013 |
936 |
0.924 |
239 |
1873 |
|
|
26 |
A" |
342 |
317 |
0.928 |
239 |
1874 |
|
|
27 |
A" |
252 |
276 |
1.093 |
239 |
1875 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3365 |
3022 |
0.898 |
240 |
1876 |
|
|
2 |
A |
3313 |
3004 |
0.907 |
240 |
1877 |
|
|
3 |
A |
3292 |
2991 |
0.908 |
240 |
1878 |
|
|
4 |
A |
3288 |
2970 |
0.903 |
240 |
1879 |
|
|
5 |
A |
3281 |
2949 |
0.899 |
240 |
1880 |
|
|
6 |
A |
3206 |
2908 |
0.907 |
240 |
1881 |
|
|
7 |
A |
1631 |
1462 |
0.896 |
240 |
1882 |
|
|
8 |
A |
1624 |
1459 |
0.898 |
240 |
1883 |
|
|
9 |
A |
1615 |
1446 |
0.896 |
240 |
1884 |
|
|
10 |
A |
1559 |
1391 |
0.892 |
240 |
1885 |
|
|
11 |
A |
1508 |
1347 |
0.894 |
240 |
1886 |
|
|
12 |
A |
1447 |
1286 |
0.889 |
240 |
1887 |
|
|
13 |
A |
1380 |
1238 |
0.897 |
240 |
1888 |
|
|
14 |
A |
1327 |
1181 |
0.890 |
240 |
1889 |
|
|
15 |
A |
1227 |
1120 |
0.912 |
240 |
1890 |
|
|
16 |
A |
1185 |
1076 |
0.908 |
240 |
1891 |
|
|
17 |
A |
1118 |
1023 |
0.915 |
240 |
1892 |
|
|
18 |
A |
986 |
890 |
0.902 |
240 |
1893 |
|
|
19 |
A |
933 |
850 |
0.911 |
240 |
1894 |
|
|
20 |
A |
806 |
750 |
0.930 |
240 |
1895 |
|
|
21 |
A |
727 |
685 |
0.942 |
240 |
1896 |
|
|
22 |
A |
433 |
417 |
0.962 |
240 |
1897 |
|
|
23 |
A |
375 |
358 |
0.955 |
240 |
1898 |
|
|
24 |
A |
300 |
285 |
0.950 |
240 |
1899 |
|
|
25 |
A |
263 |
250 |
0.952 |
240 |
1900 |
|
|
26 |
A |
220 |
203 |
0.921 |
240 |
1901 |
|
|
27 |
A |
115 |
108 |
0.941 |
240 |
1902 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3295 |
2989 |
0.907 |
241 |
1903 |
|
|
2 |
A1 |
3268 |
2941 |
0.900 |
241 |
1904 |
|
|
3 |
A1 |
3177 |
2911 |
0.916 |
241 |
1905 |
|
|
4 |
A1 |
1839 |
1661 |
0.903 |
241 |
1906 |
|
|
5 |
A1 |
1633 |
1470 |
0.900 |
241 |
1907 |
|
|
6 |
A1 |
1573 |
1416 |
0.900 |
241 |
1908 |
|
|
7 |
A1 |
1537 |
1366 |
0.889 |
241 |
1909 |
|
|
8 |
A1 |
1170 |
1064 |
0.909 |
241 |
1910 |
|
|
9 |
A1 |
851 |
801 |
0.941 |
241 |
1911 |
|
|
10 |
A1 |
395 |
383 |
0.969 |
241 |
1912 |
|
|
11 |
A2 |
3221 |
2970 |
0.922 |
241 |
1913 |
|
|
12 |
A2 |
1603 |
1459 |
0.910 |
241 |
1914 |
|
|
13 |
A2 |
1106 |
1076 |
0.973 |
241 |
1915 |
|
|
14 |
A2 |
760 |
|
|
241 |
1916 |
|
|
15 |
A2 |
170 |
193 |
1.133 |
241 |
1917 |
|
|
16 |
B1 |
3226 |
2945 |
0.913 |
241 |
1918 |
|
|
17 |
B1 |
1622 |
1444 |
0.890 |
241 |
1919 |
|
|
18 |
B1 |
1202 |
1079 |
0.898 |
241 |
1920 |
|
|
19 |
B1 |
1031 |
890 |
0.863 |
241 |
1921 |
|
|
20 |
B1 |
465 |
429 |
0.923 |
241 |
1922 |
|
|
21 |
B1 |
217 |
196 |
0.902 |
241 |
1923 |
|
|
22 |
B2 |
3377 |
3086 |
0.914 |
241 |
1924 |
|
|
23 |
B2 |
3266 |
2980 |
0.912 |
241 |
1925 |
|
|
24 |
B2 |
3170 |
2893 |
0.913 |
241 |
1926 |
|
|
25 |
B2 |
1618 |
1458 |
0.901 |
241 |
1927 |
|
|
26 |
B2 |
1551 |
1381 |
0.890 |
241 |
1928 |
|
|
27 |
B2 |
1394 |
1282 |
0.920 |
241 |
1929 |
|
|
28 |
B2 |
1055 |
1043 |
0.989 |
241 |
1930 |
|
|
29 |
B2 |
1033 |
974 |
0.943 |
241 |
1931 |
|
|
30 |
B2 |
462 |
430 |
0.931 |
241 |
1932 |
C6H6 |
Benzene |
1 |
A1g |
3374 |
3062 |
0.908 |
242 |
1933 |
|
|
2 |
A1g |
1056 |
992 |
0.940 |
242 |
1934 |
|
|
3 |
A2g |
1477 |
1326 |
0.898 |
242 |
1935 |
|
|
4 |
A2u |
758 |
673 |
0.888 |
242 |
1936 |
|
|
5 |
B1u |
3334 |
3068 |
0.920 |
242 |
1937 |
|
|
6 |
B1u |
1080 |
1010 |
0.935 |
242 |
1938 |
|
|
7 |
B2g |
1136 |
995 |
0.876 |
242 |
1939 |
|
|
8 |
B2g |
766 |
703 |
0.918 |
242 |
1940 |
|
|
9 |
B2u |
1325 |
1310 |
0.989 |
242 |
1941 |
|
|
10 |
B2u |
1158 |
1150 |
0.993 |
242 |
1942 |
|
|
11 |
E1g |
957 |
849 |
0.887 |
242 |
1943 |
|
|
12 |
E1u |
3363 |
3063 |
0.911 |
242 |
1944 |
|
|
13 |
E1u |
1620 |
1486 |
0.918 |
242 |
1945 |
|
|
14 |
E1u |
1119 |
1038 |
0.928 |
242 |
1946 |
|
|
15 |
E2g |
3345 |
3047 |
0.911 |
242 |
1947 |
|
|
16 |
E2g |
1760 |
1596 |
0.907 |
242 |
1948 |
|
|
17 |
E2g |
1271 |
1178 |
0.927 |
242 |
1949 |
|
|
18 |
E2g |
653 |
606 |
0.929 |
242 |
1950 |
|
|
19 |
E2u |
1102 |
975 |
0.885 |
242 |
1951 |
|
|
20 |
E2u |
447 |
410 |
0.917 |
242 |
1952 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3394 |
3088 |
0.910 |
243 |
1953 |
|
|
2 |
A |
3334 |
3017 |
0.905 |
243 |
1954 |
|
|
3 |
A |
3307 |
3011 |
0.911 |
243 |
1955 |
|
|
4 |
A |
3299 |
2990 |
0.906 |
243 |
1956 |
|
|
5 |
A |
3282 |
2974 |
0.906 |
243 |
1957 |
|
|
6 |
A |
3266 |
2967 |
0.908 |
243 |
1958 |
|
|
7 |
A |
3193 |
2927 |
0.917 |
243 |
1959 |
|
|
8 |
A |
1831 |
1645 |
0.898 |
243 |
1960 |
|
|
9 |
A |
1624 |
1452 |
0.894 |
243 |
1961 |
|
|
10 |
A |
1618 |
1447 |
0.894 |
243 |
1962 |
|
|
11 |
A |
1579 |
1424 |
0.902 |
243 |
1963 |
|
|
12 |
A |
1550 |
1375 |
0.887 |
243 |
1964 |
|
|
13 |
A |
1445 |
1297 |
0.898 |
243 |
1965 |
|
|
14 |
A |
1417 |
1283 |
0.905 |
243 |
1966 |
|
|
15 |
A |
1380 |
1233 |
0.893 |
243 |
1967 |
|
|
16 |
A |
1287 |
1174 |
0.912 |
243 |
1968 |
|
|
17 |
A |
1194 |
1090 |
0.913 |
243 |
1969 |
|
|
18 |
A |
1135 |
1025 |
0.903 |
243 |
1970 |
|
|
19 |
A |
1113 |
988 |
0.887 |
243 |
1971 |
|
|
20 |
A |
1070 |
966 |
0.903 |
243 |
1972 |
|
|
21 |
A |
1048 |
931 |
0.888 |
243 |
1973 |
|
|
22 |
A |
933 |
864 |
0.926 |
243 |
1974 |
|
|
23 |
A |
777 |
708 |
0.911 |
243 |
1975 |
|
|
24 |
A |
686 |
625 |
0.910 |
243 |
1976 |
|
|
25 |
A |
484 |
456 |
0.943 |
243 |
1977 |
|
|
26 |
A |
343 |
319 |
0.931 |
243 |
1978 |
|
|
27 |
A |
324 |
305 |
0.941 |
243 |
1979 |
|
|
28 |
A |
302 |
283 |
0.936 |
243 |
1980 |
|
|
29 |
A |
269 |
245 |
0.912 |
243 |
1981 |
|
|
30 |
A |
106 |
92 |
0.868 |
243 |
1982 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3399 |
3095 |
0.911 |
244 |
1983 |
|
|
2 |
A' |
3387 |
3095 |
0.914 |
244 |
1984 |
|
|
3 |
A' |
3327 |
3000 |
0.902 |
244 |
1985 |
|
|
4 |
A' |
3310 |
3000 |
0.906 |
244 |
1986 |
|
|
5 |
A' |
3302 |
3000 |
0.908 |
244 |
1987 |
|
|
6 |
A' |
3273 |
2984 |
0.912 |
244 |
1988 |
|
|
7 |
A' |
3185 |
2904 |
0.912 |
244 |
1989 |
|
|
8 |
A' |
1843 |
1638 |
0.889 |
244 |
1990 |
|
|
9 |
A' |
1781 |
1607 |
0.902 |
244 |
1991 |
|
|
10 |
A' |
1634 |
1464 |
0.896 |
244 |
1992 |
|
|
11 |
A' |
1584 |
1420 |
0.896 |
244 |
1993 |
|
|
12 |
A' |
1556 |
1389 |
0.893 |
244 |
1994 |
|
|
13 |
A' |
1532 |
1363 |
0.889 |
244 |
1995 |
|
|
14 |
A' |
1425 |
1313 |
0.921 |
244 |
1996 |
|
|
15 |
A' |
1422 |
1303 |
0.916 |
244 |
1997 |
|
|
16 |
A' |
1172 |
1072 |
0.915 |
244 |
1998 |
|
|
17 |
A' |
1088 |
1012 |
0.931 |
244 |
1999 |
|
|
18 |
A' |
1029 |
953 |
0.926 |
244 |
2000 |
|
|
19 |
A' |
823 |
770 |
0.936 |
244 |
2001 |
|
|
20 |
A' |
559 |
530 |
0.947 |
244 |
2002 |
|
|
21 |
A' |
450 |
396 |
0.879 |
244 |
2003 |
|
|
22 |
A' |
294 |
196 |
0.667 |
244 |
2004 |
|
|
23 |
A" |
3242 |
2949 |
0.909 |
244 |
2005 |
|
|
24 |
A" |
1616 |
1451 |
0.898 |
244 |
2006 |
|
|
25 |
A" |
1162 |
1034 |
0.890 |
244 |
2007 |
|
|
26 |
A" |
1122 |
991 |
0.883 |
244 |
2008 |
|
|
27 |
A" |
1052 |
907 |
0.862 |
244 |
2009 |
|
|
28 |
A" |
1049 |
907 |
0.865 |
244 |
2010 |
|
|
29 |
A" |
847 |
757 |
0.893 |
244 |
2011 |
|
|
30 |
A" |
697 |
615 |
0.882 |
244 |
2012 |
|
|
31 |
A" |
431 |
290 |
0.673 |
244 |
2013 |
|
|
32 |
A" |
228 |
153 |
0.671 |
244 |
2014 |
C5H8 |
Cyclopentene |
1 |
A' |
3363 |
3066 |
0.912 |
245 |
2015 |
|
|
2 |
A' |
3252 |
2958 |
0.909 |
245 |
2016 |
|
|
3 |
A' |
3222 |
2916 |
0.905 |
245 |
2017 |
|
|
4 |
A' |
3198 |
2902 |
0.907 |
245 |
2018 |
|
|
5 |
A' |
3172 |
2852 |
0.899 |
245 |
2019 |
|
|
6 |
A' |
1801 |
1616 |
0.897 |
245 |
2020 |
|
|
7 |
A' |
1649 |
1467 |
0.890 |
245 |
2021 |
|
|
8 |
A' |
1617 |
1449 |
0.896 |
245 |
2022 |
|
|
9 |
A' |
1465 |
1302 |
0.889 |
245 |
2023 |
|
|
10 |
A' |
1339 |
1284 |
0.959 |
245 |
2024 |
|
|
11 |
A' |
1212 |
1213 |
1.001 |
245 |
2025 |
|
|
12 |
A' |
1169 |
1048 |
0.896 |
245 |
2026 |
|
|
13 |
A' |
1027 |
964 |
0.939 |
245 |
2027 |
|
|
14 |
A' |
959 |
962 |
1.003 |
245 |
2028 |
|
|
15 |
A' |
883 |
904 |
1.024 |
245 |
2029 |
|
|
16 |
A' |
779 |
692 |
0.888 |
245 |
2030 |
|
|
17 |
A' |
651 |
603 |
0.926 |
245 |
2031 |
|
|
18 |
A' |
159 |
254 |
1.598 |
245 |
2032 |
|
|
19 |
A" |
3336 |
3039 |
0.911 |
245 |
2033 |
|
|
20 |
A" |
3216 |
2967 |
0.922 |
245 |
2034 |
|
|
21 |
A" |
3174 |
2927 |
0.922 |
245 |
2035 |
|
|
22 |
A" |
1629 |
1467 |
0.901 |
245 |
2036 |
|
|
23 |
A" |
1502 |
1432 |
0.954 |
245 |
2037 |
|
|
24 |
A" |
1448 |
1356 |
0.936 |
245 |
2038 |
|
|
25 |
A" |
1421 |
1302 |
0.916 |
245 |
2039 |
|
|
26 |
A" |
1341 |
1297 |
0.967 |
245 |
2040 |
|
|
27 |
A" |
1248 |
1207 |
0.967 |
245 |
2041 |
|
|
28 |
A" |
1107 |
1113 |
1.005 |
245 |
2042 |
|
|
29 |
A" |
1073 |
1082 |
1.008 |
245 |
2043 |
|
|
30 |
A" |
977 |
937 |
0.959 |
245 |
2044 |
|
|
31 |
A" |
954 |
800 |
0.839 |
245 |
2045 |
|
|
32 |
A" |
828 |
702 |
0.848 |
245 |
2046 |
|
|
33 |
A" |
417 |
387 |
0.928 |
245 |
2047 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3384 |
3080 |
0.910 |
246 |
2048 |
|
|
2 |
A |
3314 |
3012 |
0.909 |
246 |
2049 |
|
|
3 |
A |
3293 |
3012 |
0.915 |
246 |
2050 |
|
|
4 |
A |
3190 |
2900 |
0.909 |
246 |
2051 |
|
|
5 |
A |
1830 |
1644 |
0.898 |
246 |
2052 |
|
|
6 |
A |
1614 |
1433 |
0.888 |
246 |
2053 |
|
|
7 |
A |
1565 |
1413 |
0.903 |
246 |
2054 |
|
|
8 |
A |
1416 |
1295 |
0.915 |
246 |
2055 |
|
|
9 |
A |
1362 |
1263 |
0.927 |
246 |
2056 |
|
|
10 |
A |
1170 |
1120 |
0.957 |
246 |
2057 |
|
|
11 |
A |
1115 |
995 |
0.892 |
246 |
2058 |
|
|
12 |
A |
1056 |
918 |
0.870 |
246 |
2059 |
|
|
13 |
A |
975 |
876 |
0.899 |
246 |
2060 |
|
|
14 |
A |
723 |
562 |
0.777 |
246 |
2061 |
|
|
15 |
A |
394 |
421 |
1.068 |
246 |
2062 |
|
|
16 |
A |
317 |
137 |
0.432 |
246 |
2063 |
|
|
17 |
A |
95 |
102 |
1.069 |
246 |
2064 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3285 |
2987 |
0.909 |
247 |
2065 |
|
|
2 |
A1 |
3284 |
2941 |
0.896 |
247 |
2066 |
|
|
3 |
A1 |
3178 |
2916 |
0.918 |
247 |
2067 |
|
|
4 |
A1 |
2171 |
1996 |
0.919 |
247 |
2068 |
|
|
5 |
A1 |
1640 |
1470 |
0.896 |
247 |
2069 |
|
|
6 |
A1 |
1599 |
1438 |
0.899 |
247 |
2070 |
|
|
7 |
A1 |
1552 |
1369 |
0.882 |
247 |
2071 |
|
|
8 |
A1 |
1407 |
1286 |
0.914 |
247 |
2072 |
|
|
9 |
A1 |
1106 |
973 |
0.880 |
247 |
2073 |
|
|
10 |
A1 |
768 |
726 |
0.945 |
247 |
2074 |
|
|
11 |
A1 |
357 |
349 |
0.977 |
247 |
2075 |
|
|
12 |
A2 |
3226 |
2941 |
0.912 |
247 |
2076 |
|
|
13 |
A2 |
1607 |
1470 |
0.915 |
247 |
2077 |
|
|
14 |
A2 |
1087 |
985 |
0.906 |
247 |
2078 |
|
|
15 |
A2 |
661 |
617 |
0.933 |
247 |
2079 |
|
|
17 |
B1 |
3367 |
3051 |
0.906 |
247 |
2080 |
|
|
18 |
B1 |
3231 |
2941 |
0.910 |
247 |
2081 |
|
|
19 |
B1 |
1623 |
1470 |
0.905 |
247 |
2082 |
|
|
20 |
B1 |
1200 |
1068 |
0.890 |
247 |
2083 |
|
|
21 |
B1 |
1121 |
1004 |
0.895 |
247 |
2084 |
|
|
22 |
B1 |
509 |
443 |
0.871 |
247 |
2085 |
|
|
23 |
B1 |
292 |
187 |
0.640 |
247 |
2086 |
|
|
25 |
B2 |
3282 |
2941 |
0.896 |
247 |
2087 |
|
|
26 |
B2 |
3173 |
2916 |
0.919 |
247 |
2088 |
|
|
27 |
B2 |
1617 |
1470 |
0.909 |
247 |
2089 |
|
|
28 |
B2 |
1538 |
1369 |
0.890 |
247 |
2090 |
|
|
29 |
B2 |
1310 |
1191 |
0.909 |
247 |
2091 |
|
|
30 |
B2 |
1043 |
968 |
0.928 |
247 |
2092 |
|
|
31 |
B2 |
988 |
848 |
0.858 |
247 |
2093 |
|
|
32 |
B2 |
658 |
554 |
0.843 |
247 |
2094 |
|
|
33 |
B2 |
207 |
187 |
0.904 |
247 |
2095 |
C5H8 |
Spiropentane |
1 |
A1 |
3275 |
3000 |
0.916 |
248 |
2096 |
|
|
2 |
A1 |
1626 |
1423 |
0.875 |
248 |
2097 |
|
|
3 |
A1 |
1190 |
1160 |
0.975 |
248 |
2098 |
|
|
4 |
A1 |
1117 |
1037 |
0.928 |
248 |
2099 |
|
|
5 |
A1 |
634 |
588 |
0.927 |
248 |
2100 |
|
|
6 |
A2 |
3350 |
3070 |
0.917 |
248 |
2101 |
|
|
7 |
A2 |
1271 |
1174 |
0.924 |
248 |
2102 |
|
|
8 |
A2 |
897 |
919 |
1.024 |
248 |
2103 |
|
|
9 |
B1 |
3349 |
3066 |
0.915 |
248 |
2104 |
|
|
10 |
B1 |
1281 |
1166 |
0.910 |
248 |
2105 |
|
|
11 |
B1 |
1106 |
888 |
0.803 |
248 |
2106 |
|
|
12 |
B1 |
311 |
300 |
0.966 |
248 |
2107 |
|
|
13 |
B2 |
3273 |
3000 |
0.916 |
248 |
2108 |
|
|
14 |
B2 |
1706 |
1521 |
0.892 |
248 |
2109 |
|
|
15 |
B2 |
1534 |
1415 |
0.922 |
248 |
2110 |
|
|
16 |
B2 |
1125 |
990 |
0.880 |
248 |
2111 |
|
|
17 |
B2 |
968 |
872 |
0.901 |
248 |
2112 |
|
|
18 |
E |
3364 |
3067 |
0.912 |
248 |
2113 |
|
|
19 |
E |
3266 |
2985 |
0.914 |
248 |
2114 |
|
|
20 |
E |
1584 |
1431 |
0.903 |
248 |
2115 |
|
|
21 |
E |
1278 |
1150 |
0.900 |
248 |
2116 |
|
|
22 |
E |
1189 |
1049 |
0.882 |
248 |
2117 |
|
|
23 |
E |
951 |
870 |
0.915 |
248 |
2118 |
|
|
24 |
E |
836 |
780 |
0.933 |
248 |
2119 |
|
|
25 |
E |
320 |
308 |
0.963 |
248 |
2120 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3229 |
2953 |
0.915 |
249 |
2121 |
|
|
2 |
A1 |
3110 |
2775 |
0.892 |
249 |
2122 |
|
|
3 |
A1 |
1640 |
1459 |
0.889 |
249 |
2123 |
|
|
4 |
A1 |
1622 |
1444 |
0.890 |
249 |
2124 |
|
|
5 |
A1 |
1323 |
1186 |
0.896 |
249 |
2125 |
|
|
6 |
A1 |
898 |
828 |
0.922 |
249 |
2126 |
|
|
7 |
A1 |
396 |
367 |
0.925 |
249 |
2127 |
|
|
8 |
A2 |
3259 |
2977 |
0.913 |
249 |
2128 |
|
|
9 |
A2 |
1624 |
1453 |
0.894 |
249 |
2129 |
|
|
10 |
A2 |
1158 |
1046 |
0.903 |
249 |
2130 |
|
|
11 |
A2 |
246 |
255 |
1.034 |
249 |
2131 |
|
|
12 |
E |
3268 |
2981 |
0.912 |
249 |
2132 |
|
|
13 |
E |
3219 |
2953 |
0.917 |
249 |
2133 |
|
|
14 |
E |
3092 |
2776 |
0.898 |
249 |
2134 |
|
|
15 |
E |
1644 |
1471 |
0.895 |
249 |
2135 |
|
|
16 |
E |
1618 |
1444 |
0.892 |
249 |
2136 |
|
|
17 |
E |
1577 |
1409 |
0.893 |
249 |
2137 |
|
|
18 |
E |
1429 |
1275 |
0.892 |
249 |
2138 |
|
|
19 |
E |
1215 |
1103 |
0.908 |
249 |
2139 |
|
|
20 |
E |
1142 |
1043 |
0.914 |
249 |
2140 |
|
|
21 |
E |
451 |
424 |
0.938 |
249 |
2141 |
|
|
22 |
E |
286 |
281 |
0.983 |
249 |
2142 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3260 |
2974 |
0.912 |
250 |
2143 |
|
|
2 |
A' |
3259 |
2953 |
0.906 |
250 |
2144 |
|
|
3 |
A' |
3231 |
2940 |
0.910 |
250 |
2145 |
|
|
4 |
A' |
3181 |
2876 |
0.904 |
250 |
2146 |
|
|
5 |
A' |
3105 |
2757 |
0.888 |
250 |
2147 |
|
|
6 |
A' |
1972 |
1752 |
0.888 |
250 |
2148 |
|
|
7 |
A' |
1641 |
1474 |
0.898 |
250 |
2149 |
|
|
8 |
A' |
1634 |
1449 |
0.887 |
250 |
2150 |
|
|
9 |
A' |
1558 |
1399 |
0.898 |
250 |
2151 |
|
|
10 |
A' |
1540 |
1381 |
0.896 |
250 |
2152 |
|
|
11 |
A' |
1438 |
1329 |
0.924 |
250 |
2153 |
|
|
12 |
A' |
1285 |
1182 |
0.920 |
250 |
2154 |
|
|
13 |
A' |
1278 |
1138 |
0.890 |
250 |
2155 |
|
|
14 |
A' |
994 |
922 |
0.928 |
250 |
2156 |
|
|
15 |
A' |
896 |
800 |
0.893 |
250 |
2157 |
|
|
16 |
A' |
575 |
632 |
1.100 |
250 |
2158 |
|
|
17 |
A' |
377 |
395 |
1.048 |
250 |
2159 |
|
|
18 |
A' |
349 |
272 |
0.780 |
250 |
2160 |
|
|
19 |
A' |
250 |
212 |
0.849 |
250 |
2161 |
|
|
20 |
A" |
3256 |
2990 |
0.918 |
250 |
2162 |
|
|
21 |
A" |
3242 |
2982 |
0.920 |
250 |
2163 |
|
|
22 |
A" |
3175 |
2885 |
0.909 |
250 |
2164 |
|
|
23 |
A" |
1622 |
1467 |
0.904 |
250 |
2165 |
|
|
24 |
A" |
1618 |
1452 |
0.897 |
250 |
2166 |
|
|
25 |
A" |
1539 |
1437 |
0.934 |
250 |
2167 |
|
|
26 |
A" |
1465 |
1290 |
0.881 |
250 |
2168 |
|
|
27 |
A" |
1241 |
1109 |
0.894 |
250 |
2169 |
|
|
28 |
A" |
1054 |
965 |
0.915 |
250 |
2170 |
|
|
29 |
A" |
1037 |
942 |
0.909 |
250 |
2171 |
|
|
30 |
A" |
1001 |
933 |
0.932 |
250 |
2172 |
|
|
31 |
A" |
348 |
351 |
1.007 |
250 |
2173 |
|
|
32 |
A" |
221 |
227 |
1.027 |
250 |
2174 |
|
|
33 |
A" |
73 |
75 |
1.033 |
250 |
2175 |
CH3CH2CH2CH3 |
Butane |
1 |
Ag |
3238 |
2965 |
0.916 |
251 |
2176 |
|
|
2 |
Ag |
3177 |
2872 |
0.904 |
251 |
2177 |
|
|
3 |
Ag |
3162 |
2853 |
0.902 |
251 |
2178 |
|
|
4 |
Ag |
1636 |
1460 |
0.893 |
251 |
2179 |
|
|
5 |
Ag |
1619 |
1442 |
0.890 |
251 |
2180 |
|
|
6 |
Ag |
1554 |
1382 |
0.890 |
251 |
2181 |
|
|
7 |
Ag |
1526 |
1361 |
0.892 |
251 |
2182 |
|
|
8 |
Ag |
1258 |
1151 |
0.915 |
251 |
2183 |
|
|
9 |
Ag |
1127 |
1059 |
0.940 |
251 |
2184 |
|
|
10 |
Ag |
893 |
837 |
0.937 |
251 |
2185 |
|
|
11 |
Ag |
446 |
425 |
0.953 |
251 |
2186 |
|
|
12 |
Au |
3243 |
2968 |
0.915 |
251 |
2187 |
|
|
13 |
Au |
3205 |
2930 |
0.914 |
251 |
2188 |
|
|
14 |
Au |
1629 |
1461 |
0.897 |
251 |
2189 |
|
|
15 |
Au |
1394 |
1257 |
0.902 |
251 |
2190 |
|
|
16 |
Au |
1025 |
948 |
0.925 |
251 |
2191 |
|
|
17 |
Au |
778 |
731 |
0.940 |
251 |
2192 |
|
|
18 |
Au |
237 |
194 |
0.820 |
251 |
2193 |
|
|
19 |
Au |
122 |
102 |
0.833 |
251 |
2194 |
|
|
20 |
Bg |
3234 |
2965 |
0.917 |
251 |
2195 |
|
|
21 |
Bg |
3185 |
2912 |
0.914 |
251 |
2196 |
|
|
22 |
Bg |
1628 |
1460 |
0.897 |
251 |
2197 |
|
|
23 |
Bg |
1438 |
1300 |
0.904 |
251 |
2198 |
|
|
24 |
Bg |
1311 |
1180 |
0.900 |
251 |
2199 |
|
|
25 |
Bg |
864 |
803 |
0.930 |
251 |
2200 |
|
|
26 |
Bg |
272 |
225 |
0.828 |
251 |
2201 |
|
|
27 |
Bu |
3239 |
2968 |
0.916 |
251 |
2202 |
|
|
28 |
Bu |
3170 |
2870 |
0.905 |
251 |
2203 |
|
|
29 |
Bu |
3169 |
2853 |
0.900 |
251 |
2204 |
|
|
30 |
Bu |
1642 |
1461 |
0.890 |
251 |
2205 |
|
|
31 |
Bu |
1622 |
1461 |
0.901 |
251 |
2206 |
|
|
32 |
Bu |
1547 |
1379 |
0.891 |
251 |
2207 |
|
|
33 |
Bu |
1432 |
1290 |
0.901 |
251 |
2208 |
|
|
34 |
Bu |
1085 |
1009 |
0.930 |
251 |
2209 |
|
|
35 |
Bu |
1040 |
964 |
0.927 |
251 |
2210 |
|
|
36 |
Bu |
274 |
271 |
0.990 |
251 |
2211 |
C4H9N |
Pyrrolidine |
1 |
A' |
3761 |
3356 |
0.892 |
252 |
2212 |
|
|
2 |
A' |
3269 |
2975 |
0.910 |
252 |
2213 |
|
|
3 |
A' |
3242 |
2927 |
0.903 |
252 |
2214 |
|
|
4 |
A' |
3221 |
2889 |
0.897 |
252 |
2215 |
|
|
5 |
A' |
3114 |
2824 |
0.907 |
252 |
2216 |
|
|
6 |
A' |
1670 |
1484 |
0.889 |
252 |
2217 |
|
|
7 |
A' |
1642 |
1447 |
0.881 |
252 |
2218 |
|
|
8 |
A' |
1532 |
1292 |
0.843 |
252 |
2219 |
|
|
9 |
A' |
1446 |
1273 |
0.880 |
252 |
2220 |
|
|
10 |
A' |
1365 |
1228 |
0.899 |
252 |
2221 |
|
|
11 |
A' |
1336 |
1181 |
0.884 |
252 |
2222 |
|
|
12 |
A' |
1142 |
974 |
0.853 |
252 |
2223 |
|
|
13 |
A' |
1070 |
920 |
0.860 |
252 |
2224 |
|
|
14 |
A' |
1009 |
901 |
0.893 |
252 |
2225 |
|
|
15 |
A' |
970 |
871 |
0.898 |
252 |
2226 |
|
|
16 |
A' |
952 |
832 |
0.874 |
252 |
2227 |
|
|
17 |
A' |
829 |
789 |
0.952 |
252 |
2228 |
|
|
18 |
A' |
621 |
579 |
0.932 |
252 |
2229 |
|
|
19 |
A' |
305 |
299 |
0.979 |
252 |
2230 |
|
|
20 |
A" |
3247 |
2967 |
0.914 |
252 |
2231 |
|
|
21 |
A" |
3233 |
2916 |
0.902 |
252 |
2232 |
|
|
22 |
A" |
3205 |
2879 |
0.898 |
252 |
2233 |
|
|
23 |
A" |
3106 |
2818 |
0.907 |
252 |
2234 |
|
|
24 |
A" |
1653 |
1459 |
0.883 |
252 |
2235 |
|
|
25 |
A" |
1619 |
1412 |
0.872 |
252 |
2236 |
|
|
26 |
A" |
1578 |
1341 |
0.850 |
252 |
2237 |
|
|
27 |
A" |
1456 |
1268 |
0.871 |
252 |
2238 |
|
|
28 |
A" |
1433 |
1211 |
0.845 |
252 |
2239 |
|
|
29 |
A" |
1360 |
1203 |
0.885 |
252 |
2240 |
|
|
30 |
A" |
1312 |
1171 |
0.892 |
252 |
2241 |
|
|
31 |
A" |
1231 |
1099 |
0.893 |
252 |
2242 |
|
|
32 |
A" |
1191 |
1023 |
0.859 |
252 |
2243 |
|
|
33 |
A" |
992 |
883 |
0.890 |
252 |
2244 |
|
|
34 |
A" |
933 |
848 |
0.909 |
252 |
2245 |
|
|
35 |
A" |
678 |
600 |
0.885 |
252 |
2246 |
|
|
36 |
A" |
73 |
65 |
0.888 |
252 |
2247 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3706 |
3345 |
0.903 |
253 |
2248 |
|
|
2 |
A' |
3282 |
2975 |
0.907 |
253 |
2249 |
|
|
3 |
A' |
3247 |
2950 |
0.909 |
253 |
2250 |
|
|
4 |
A' |
3222 |
2918 |
0.906 |
253 |
2251 |
|
|
5 |
A' |
3201 |
2905 |
0.907 |
253 |
2252 |
|
|
6 |
A' |
3147 |
2887 |
0.917 |
253 |
2253 |
|
|
7 |
A' |
1834 |
1614 |
0.880 |
253 |
2254 |
|
|
8 |
A' |
1643 |
1467 |
0.893 |
253 |
2255 |
|
|
9 |
A' |
1606 |
1443 |
0.898 |
253 |
2256 |
|
|
10 |
A' |
1514 |
1390 |
0.918 |
253 |
2257 |
|
|
11 |
A' |
1427 |
1291 |
0.904 |
253 |
2258 |
|
|
12 |
A' |
1343 |
1237 |
0.921 |
253 |
2259 |
|
|
13 |
A' |
1264 |
1137 |
0.900 |
253 |
2260 |
|
|
14 |
A' |
1161 |
1120 |
0.965 |
253 |
2261 |
|
|
15 |
A' |
1025 |
1050 |
1.025 |
253 |
2262 |
|
|
16 |
A' |
977 |
965 |
0.988 |
253 |
2263 |
|
|
17 |
A' |
949 |
788 |
0.831 |
253 |
2264 |
|
|
18 |
A' |
878 |
752 |
0.857 |
253 |
2265 |
|
|
19 |
A' |
723 |
606 |
0.838 |
253 |
2266 |
|
|
20 |
A' |
425 |
448 |
1.055 |
253 |
2267 |
|
|
21 |
A' |
157 |
174 |
1.107 |
253 |
2268 |
|
|
22 |
A" |
3784 |
3411 |
0.901 |
253 |
2269 |
|
|
23 |
A" |
3251 |
2970 |
0.913 |
253 |
2270 |
|
|
24 |
A" |
3197 |
2957 |
0.925 |
253 |
2271 |
|
|
25 |
A" |
1603 |
1452 |
0.906 |
253 |
2272 |
|
|
26 |
A" |
1476 |
1213 |
0.822 |
253 |
2273 |
|
|
27 |
A" |
1394 |
1185 |
0.850 |
253 |
2274 |
|
|
28 |
A" |
1380 |
1168 |
0.846 |
253 |
2275 |
|
|
29 |
A" |
1328 |
1036 |
0.780 |
253 |
2276 |
|
|
30 |
A" |
1274 |
|
|
253 |
2277 |
|
|
31 |
A" |
1112 |
925 |
0.832 |
253 |
2278 |
|
|
32 |
A" |
1006 |
912 |
0.907 |
253 |
2279 |
|
|
33 |
A" |
986 |
883 |
0.895 |
253 |
2280 |
|
|
34 |
A" |
820 |
788 |
0.961 |
253 |
2281 |
|
|
35 |
A" |
414 |
354 |
0.854 |
253 |
2282 |
|
|
36 |
A" |
301 |
240 |
0.799 |
253 |
2283 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3273 |
2968 |
0.907 |
254 |
2284 |
|
|
2 |
Ag |
3179 |
2856 |
0.898 |
254 |
2285 |
|
|
3 |
Ag |
1647 |
1444 |
0.877 |
254 |
2286 |
|
|
4 |
Ag |
1581 |
1397 |
0.884 |
254 |
2287 |
|
|
5 |
Ag |
1445 |
1305 |
0.903 |
254 |
2288 |
|
|
6 |
Ag |
1258 |
1128 |
0.896 |
254 |
2289 |
|
|
7 |
Ag |
1116 |
1015 |
0.910 |
254 |
2290 |
|
|
8 |
Ag |
915 |
837 |
0.915 |
254 |
2291 |
|
|
9 |
Ag |
465 |
435 |
0.936 |
254 |
2292 |
|
|
10 |
Ag |
440 |
424 |
0.964 |
254 |
2293 |
|
|
11 |
Au |
3269 |
2970 |
0.908 |
254 |
2294 |
|
|
12 |
Au |
3168 |
2863 |
0.904 |
254 |
2295 |
|
|
13 |
Au |
1632 |
1449 |
0.888 |
254 |
2296 |
|
|
14 |
Au |
1539 |
1369 |
0.889 |
254 |
2297 |
|
|
15 |
Au |
1393 |
1256 |
0.901 |
254 |
2298 |
|
|
16 |
Au |
1288 |
1136 |
0.882 |
254 |
2299 |
|
|
17 |
Au |
1213 |
1086 |
0.895 |
254 |
2300 |
|
|
18 |
Au |
963 |
881 |
0.915 |
254 |
2301 |
|
|
19 |
Au |
262 |
288 |
1.097 |
254 |
2302 |
|
|
20 |
Bg |
3270 |
2968 |
0.908 |
254 |
2303 |
|
|
21 |
Bg |
3173 |
2856 |
0.900 |
254 |
2304 |
|
|
22 |
Bg |
1623 |
1459 |
0.899 |
254 |
2305 |
|
|
23 |
Bg |
1485 |
1335 |
0.899 |
254 |
2306 |
|
|
24 |
Bg |
1348 |
1217 |
0.903 |
254 |
2307 |
|
|
25 |
Bg |
1275 |
1110 |
0.870 |
254 |
2308 |
|
|
26 |
Bg |
940 |
853 |
0.908 |
254 |
2309 |
|
|
27 |
Bg |
524 |
490 |
0.936 |
254 |
2310 |
|
|
28 |
Bu |
3272 |
2970 |
0.908 |
254 |
2311 |
|
|
29 |
Bu |
3183 |
2863 |
0.899 |
254 |
2312 |
|
|
30 |
Bu |
1639 |
1457 |
0.889 |
254 |
2313 |
|
|
31 |
Bu |
1546 |
1378 |
0.891 |
254 |
2314 |
|
|
32 |
Bu |
1435 |
1291 |
0.900 |
254 |
2315 |
|
|
33 |
Bu |
1148 |
1052 |
0.916 |
254 |
2316 |
|
|
34 |
Bu |
987 |
889 |
0.901 |
254 |
2317 |
|
|
35 |
Bu |
662 |
610 |
0.921 |
254 |
2318 |
|
|
36 |
Bu |
288 |
274 |
0.953 |
254 |
2319 |
C8H8 |
cubane |
1 |
A1g |
3289 |
2995 |
0.910 |
255 |
2320 |
|
|
2 |
A1g |
1084 |
1002 |
0.924 |
255 |
2321 |
|
|
3 |
A2u |
3246 |
2978 |
0.917 |
255 |
2322 |
|
|
4 |
A2u |
1148 |
839 |
0.731 |
255 |
2323 |
|
|
5 |
Eg |
1238 |
1083 |
0.875 |
255 |
2324 |
|
|
6 |
Eg |
981 |
912 |
0.930 |
255 |
2325 |
|
|
7 |
Eu |
1301 |
1151 |
0.885 |
255 |
2326 |
|
|
8 |
Eu |
685 |
617 |
0.901 |
255 |
2327 |
|
|
9 |
T1g |
1279 |
1130 |
0.884 |
255 |
2328 |
|
|
10 |
T1u |
3267 |
2978 |
0.911 |
255 |
2329 |
|
|
11 |
T1u |
1401 |
1230 |
0.878 |
255 |
2330 |
|
|
12 |
T1u |
933 |
853 |
0.914 |
255 |
2331 |
|
|
13 |
T2g |
3257 |
2970 |
0.912 |
255 |
2332 |
|
|
14 |
T2g |
1379 |
1182 |
0.857 |
255 |
2333 |
|
|
15 |
T2g |
918 |
821 |
0.895 |
255 |
2334 |
|
|
16 |
T2g |
743 |
665 |
0.895 |
255 |
2335 |
|
|
17 |
T2u |
1210 |
1036 |
0.856 |
255 |
2336 |
|
|
18 |
T2u |
911 |
829 |
0.910 |
255 |
2337 |
C5H12 |
Pentane |
1 |
A1 |
3238 |
2973 |
0.918 |
256 |
2338 |
|
|
2 |
A1 |
3177 |
2892 |
0.910 |
256 |
2339 |
|
|
3 |
A1 |
3170 |
2866 |
0.904 |
256 |
2340 |
|
|
4 |
A1 |
3158 |
2866 |
0.908 |
256 |
2341 |
|
|
5 |
A1 |
1643 |
1480 |
0.901 |
256 |
2342 |
|
|
6 |
A1 |
1627 |
1463 |
0.899 |
256 |
2343 |
|
|
7 |
A1 |
1619 |
1450 |
0.895 |
256 |
2344 |
|
|
8 |
A1 |
1551 |
1379 |
0.889 |
256 |
2345 |
|
|
9 |
A1 |
1488 |
1346 |
0.905 |
256 |
2346 |
|
|
10 |
A1 |
1250 |
1144 |
0.915 |
256 |
2347 |
|
|
11 |
A1 |
1104 |
1036 |
0.938 |
256 |
2348 |
|
|
12 |
A1 |
931 |
867 |
0.931 |
256 |
2349 |
|
|
13 |
A1 |
417 |
401 |
0.961 |
256 |
2350 |
|
|
14 |
A1 |
189 |
179 |
0.947 |
256 |
2351 |
|
|
15 |
A2 |
3237 |
2967 |
0.917 |
256 |
2352 |
|
|
16 |
A2 |
3193 |
2908 |
0.911 |
256 |
2353 |
|
|
17 |
A2 |
1629 |
1462 |
0.898 |
256 |
2354 |
|
|
18 |
A2 |
1440 |
1346 |
0.935 |
256 |
2355 |
|
|
19 |
A2 |
1370 |
1269 |
0.926 |
256 |
2356 |
|
|
20 |
A2 |
1060 |
993 |
0.937 |
256 |
2357 |
|
|
21 |
A2 |
812 |
766 |
0.943 |
256 |
2358 |
|
|
22 |
A2 |
263 |
210 |
0.798 |
256 |
2359 |
|
|
23 |
A2 |
109 |
131 |
1.197 |
256 |
2360 |
|
|
24 |
B1 |
3242 |
2965 |
0.914 |
256 |
2361 |
|
|
25 |
B1 |
3211 |
2930 |
0.912 |
256 |
2362 |
|
|
26 |
B1 |
3179 |
2930 |
0.922 |
256 |
2363 |
|
|
27 |
B1 |
1628 |
1469 |
0.902 |
256 |
2364 |
|
|
28 |
B1 |
1432 |
1303 |
0.910 |
256 |
2365 |
|
|
29 |
B1 |
1309 |
1170 |
0.894 |
256 |
2366 |
|
|
30 |
B1 |
924 |
858 |
0.928 |
256 |
2367 |
|
|
31 |
B1 |
773 |
727 |
0.941 |
256 |
2368 |
|
|
32 |
B1 |
253 |
215 |
0.849 |
256 |
2369 |
|
|
33 |
B1 |
118 |
88 |
0.744 |
256 |
2370 |
|
|
34 |
B2 |
3238 |
2965 |
0.916 |
256 |
2371 |
|
|
35 |
B2 |
3172 |
2879 |
0.908 |
256 |
2372 |
|
|
36 |
B2 |
3163 |
2866 |
0.906 |
256 |
2373 |
|
|
37 |
B2 |
1637 |
1476 |
0.902 |
256 |
2374 |
|
|
38 |
B2 |
1619 |
1456 |
0.899 |
256 |
2375 |
|
|
39 |
B2 |
1554 |
1389 |
0.894 |
256 |
2376 |
|
|
40 |
B2 |
1539 |
1379 |
0.896 |
256 |
2377 |
|
|
41 |
B2 |
1397 |
1269 |
0.909 |
256 |
2378 |
|
|
42 |
B2 |
1141 |
1073 |
0.940 |
256 |
2379 |
|
|
43 |
B2 |
1112 |
1024 |
0.921 |
256 |
2380 |
|
|
44 |
B2 |
980 |
910 |
0.929 |
256 |
2381 |
|
|
45 |
B2 |
419 |
406 |
0.969 |
256 |
2382 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3179 |
2909 |
0.915 |
257 |
2383 |
|
|
2 |
A1 |
1574 |
1381 |
0.877 |
257 |
2384 |
|
|
3 |
A1 |
767 |
733 |
0.956 |
257 |
2385 |
|
|
4 |
A2 |
207 |
198 |
0.956 |
257 |
2386 |
|
|
5 |
E |
3229 |
2955 |
0.915 |
257 |
2387 |
|
|
6 |
E |
1621 |
1451 |
0.895 |
257 |
2388 |
|
|
7 |
E |
1180 |
999 |
0.847 |
257 |
2389 |
|
|
8 |
E |
347 |
335 |
0.965 |
257 |
2390 |
|
|
9 |
T1 |
3227 |
2975 |
0.922 |
257 |
2391 |
|
|
10 |
T1 |
1614 |
1461 |
0.905 |
257 |
2392 |
|
|
11 |
T1 |
1036 |
932 |
0.900 |
257 |
2393 |
|
|
12 |
T1 |
294 |
203 |
0.691 |
257 |
2394 |
|
|
13 |
T2 |
3241 |
2959 |
0.913 |
257 |
2395 |
|
|
14 |
T2 |
3163 |
2876 |
0.909 |
257 |
2396 |
|
|
15 |
T2 |
1648 |
1475 |
0.895 |
257 |
2397 |
|
|
16 |
T2 |
1540 |
1372 |
0.891 |
257 |
2398 |
|
|
17 |
T2 |
1386 |
1256 |
0.906 |
257 |
2399 |
|
|
18 |
T2 |
998 |
925 |
0.927 |
257 |
2400 |
|
|
19 |
T2 |
440 |
418 |
0.951 |
257 |
2401 |
C5H11N |
Piperidine |
1 |
A' |
3756 |
3341 |
0.890 |
258 |
2402 |
|
|
2 |
A' |
3235 |
2947 |
0.911 |
258 |
2403 |
|
|
3 |
A' |
3227 |
2931 |
0.908 |
258 |
2404 |
|
|
4 |
A' |
3212 |
2917 |
0.908 |
258 |
2405 |
|
|
5 |
A' |
3183 |
2892 |
0.908 |
258 |
2406 |
|
|
6 |
A' |
3163 |
2850 |
0.901 |
258 |
2407 |
|
|
7 |
A' |
3093 |
2730 |
0.883 |
258 |
2408 |
|
|
8 |
A' |
1653 |
1476 |
0.893 |
258 |
2409 |
|
|
9 |
A' |
1632 |
1452 |
0.890 |
258 |
2410 |
|
|
10 |
A' |
1617 |
1444 |
0.893 |
258 |
2411 |
|
|
11 |
A' |
1565 |
1386 |
0.886 |
258 |
2412 |
|
|
12 |
A' |
1511 |
1365 |
0.903 |
258 |
2413 |
|
|
13 |
A' |
1421 |
1346 |
0.947 |
258 |
2414 |
|
|
14 |
A' |
1390 |
1266 |
0.911 |
258 |
2415 |
|
|
15 |
A' |
1275 |
1164 |
0.913 |
258 |
2416 |
|
|
16 |
A' |
1147 |
1035 |
0.902 |
258 |
2417 |
|
|
17 |
A' |
1117 |
1006 |
0.901 |
258 |
2418 |
|
|
18 |
A' |
966 |
906 |
0.937 |
258 |
2419 |
|
|
19 |
A' |
944 |
853 |
0.904 |
258 |
2420 |
|
|
20 |
A' |
867 |
822 |
0.948 |
258 |
2421 |
|
|
21 |
A' |
861 |
743 |
0.863 |
258 |
2422 |
|
|
22 |
A' |
582 |
546 |
0.939 |
258 |
2423 |
|
|
23 |
A' |
457 |
432 |
0.946 |
258 |
2424 |
|
|
24 |
A' |
420 |
404 |
0.962 |
258 |
2425 |
|
|
25 |
A' |
256 |
246 |
0.961 |
258 |
2426 |
|
|
26 |
A" |
3227 |
2940 |
0.911 |
258 |
2427 |
|
|
27 |
A" |
3222 |
2902 |
0.901 |
258 |
2428 |
|
|
28 |
A" |
3182 |
2850 |
0.896 |
258 |
2429 |
|
|
29 |
A" |
3084 |
2803 |
0.909 |
258 |
2430 |
|
|
30 |
A" |
1646 |
1468 |
0.892 |
258 |
2431 |
|
|
31 |
A" |
1620 |
1460 |
0.901 |
258 |
2432 |
|
|
32 |
A" |
1609 |
1436 |
0.892 |
258 |
2433 |
|
|
33 |
A" |
1516 |
1332 |
0.879 |
258 |
2434 |
|
|
34 |
A" |
1495 |
1318 |
0.881 |
258 |
2435 |
|
|
35 |
A" |
1468 |
1285 |
0.875 |
258 |
2436 |
|
|
36 |
A" |
1396 |
1258 |
0.901 |
258 |
2437 |
|
|
37 |
A" |
1275 |
1191 |
0.934 |
258 |
2438 |
|
|
38 |
A" |
1263 |
1146 |
0.907 |
258 |
2439 |
|
|
39 |
A" |
1236 |
1115 |
0.902 |
258 |
2440 |
|
|
40 |
A" |
1126 |
1052 |
0.934 |
258 |
2441 |
|
|
41 |
A" |
1052 |
964 |
0.916 |
258 |
2442 |
|
|
42 |
A" |
934 |
874 |
0.936 |
258 |
2443 |
|
|
43 |
A" |
885 |
810 |
0.916 |
258 |
2444 |
|
|
44 |
A" |
474 |
445 |
0.938 |
258 |
2445 |
|
|
45 |
A" |
259 |
254 |
0.982 |
258 |
2446 |
C6H12 |
Cyclohexane |
1 |
A1g |
3212 |
2930 |
0.912 |
259 |
2447 |
|
|
2 |
A1g |
3167 |
2852 |
0.901 |
259 |
2448 |
|
|
3 |
A1g |
1648 |
1465 |
0.889 |
259 |
2449 |
|
|
4 |
A1g |
1285 |
1157 |
0.901 |
259 |
2450 |
|
|
5 |
A1g |
845 |
802 |
0.949 |
259 |
2451 |
|
|
6 |
A1g |
396 |
383 |
0.967 |
259 |
2452 |
|
|
7 |
A1u |
1513 |
1383 |
0.914 |
259 |
2453 |
|
|
8 |
A1u |
1227 |
1157 |
0.943 |
259 |
2454 |
|
|
9 |
A1u |
1167 |
1057 |
0.905 |
259 |
2455 |
|
|
10 |
A2g |
1460 |
1437 |
0.985 |
259 |
2456 |
|
|
11 |
A2g |
1143 |
1090 |
0.954 |
259 |
2457 |
|
|
12 |
A2u |
3222 |
2915 |
0.905 |
259 |
2458 |
|
|
13 |
A2u |
3161 |
2860 |
0.905 |
259 |
2459 |
|
|
14 |
A2u |
1626 |
1437 |
0.884 |
259 |
2460 |
|
|
15 |
A2u |
1121 |
1030 |
0.919 |
259 |
2461 |
|
|
16 |
A2u |
556 |
523 |
0.941 |
259 |
2462 |
|
|
17 |
Eg |
3209 |
2930 |
0.913 |
259 |
2463 |
|
|
18 |
Eg |
3161 |
2897 |
0.917 |
259 |
2464 |
|
|
19 |
Eg |
1615 |
1443 |
0.894 |
259 |
2465 |
|
|
20 |
Eg |
1519 |
1347 |
0.887 |
259 |
2466 |
|
|
21 |
Eg |
1396 |
1266 |
0.907 |
259 |
2467 |
|
|
22 |
Eg |
1097 |
1027 |
0.936 |
259 |
2468 |
|
|
23 |
Eg |
853 |
785 |
0.921 |
259 |
2469 |
|
|
24 |
Eg |
451 |
426 |
0.945 |
259 |
2470 |
|
|
25 |
Eu |
3205 |
2933 |
0.915 |
259 |
2471 |
|
|
26 |
Eu |
3160 |
2863 |
0.906 |
259 |
2472 |
|
|
27 |
Eu |
1627 |
1457 |
0.895 |
259 |
2473 |
|
|
28 |
Eu |
1507 |
1355 |
0.899 |
259 |
2474 |
|
|
29 |
Eu |
1384 |
1261 |
0.911 |
259 |
2475 |
|
|
30 |
Eu |
983 |
907 |
0.923 |
259 |
2476 |
|
|
31 |
Eu |
917 |
863 |
0.941 |
259 |
2477 |
|
|
32 |
Eu |
242 |
248 |
1.023 |
259 |
2478 |
C6H14 |
Hexane |
1 |
Ag |
3237 |
2966 |
0.916 |
260 |
2479 |
|
|
2 |
Ag |
3177 |
2877 |
0.906 |
260 |
2480 |
|
|
3 |
Ag |
3166 |
2863 |
0.904 |
260 |
2481 |
|
|
4 |
Ag |
3160 |
2852 |
0.903 |
260 |
2482 |
|
|
5 |
Ag |
1639 |
1460 |
0.891 |
260 |
2483 |
|
|
6 |
Ag |
1622 |
1460 |
0.900 |
260 |
2484 |
|
|
7 |
Ag |
1619 |
1440 |
0.889 |
260 |
2485 |
|
|
8 |
Ag |
1556 |
1397 |
0.898 |
260 |
2486 |
|
|
9 |
Ag |
1545 |
1366 |
0.884 |
260 |
2487 |
|
|
10 |
Ag |
1454 |
1305 |
0.898 |
260 |
2488 |
|
|
11 |
Ag |
1245 |
1140 |
0.915 |
260 |
2489 |
|
|
12 |
Ag |
1132 |
1065 |
0.941 |
260 |
2490 |
|
|
13 |
Ag |
1071 |
1007 |
0.940 |
260 |
2491 |
|
|
14 |
Ag |
967 |
901 |
0.932 |
260 |
2492 |
|
|
15 |
Ag |
386 |
371 |
0.962 |
260 |
2493 |
|
|
16 |
Ag |
313 |
305 |
0.975 |
260 |
2494 |
|
|
17 |
Au |
3243 |
2967 |
0.915 |
260 |
2495 |
|
|
18 |
Au |
3217 |
2936 |
0.913 |
260 |
2496 |
|
|
19 |
Au |
3186 |
2920 |
0.917 |
260 |
2497 |
|
|
20 |
Au |
1628 |
1460 |
0.897 |
260 |
2498 |
|
|
21 |
Au |
1444 |
1303 |
0.902 |
260 |
2499 |
|
|
22 |
Au |
1355 |
1222 |
0.902 |
260 |
2500 |
|
|
23 |
Au |
1081 |
1010 |
0.934 |
260 |
2501 |
|
|
24 |
Au |
859 |
824 |
0.959 |
260 |
2502 |
|
|
25 |
Au |
770 |
726 |
0.942 |
260 |
2503 |
|
|
26 |
Au |
263 |
216 |
0.821 |
260 |
2504 |
|
|
27 |
Au |
103 |
94 |
0.913 |
260 |
2505 |
|
|
28 |
Au |
75 |
61 |
0.813 |
260 |
2506 |
|
|
29 |
Bg |
3239 |
2966 |
0.916 |
260 |
2507 |
|
|
30 |
Bg |
3201 |
2908 |
0.909 |
260 |
2508 |
|
|
31 |
Bg |
3179 |
2908 |
0.915 |
260 |
2509 |
|
|
32 |
Bg |
1628 |
1460 |
0.897 |
260 |
2510 |
|
|
33 |
Bg |
1439 |
1305 |
0.907 |
260 |
2511 |
|
|
34 |
Bg |
1413 |
1283 |
0.908 |
260 |
2512 |
|
|
35 |
Bg |
1307 |
1168 |
0.893 |
260 |
2513 |
|
|
36 |
Bg |
969 |
894 |
0.923 |
260 |
2514 |
|
|
37 |
Bg |
789 |
740 |
0.938 |
260 |
2515 |
|
|
38 |
Bg |
252 |
208 |
0.824 |
260 |
2516 |
|
|
39 |
Bg |
153 |
125 |
0.819 |
260 |
2517 |
|
|
40 |
Bu |
3238 |
2967 |
0.916 |
260 |
2518 |
|
|
41 |
Bu |
3175 |
2884 |
0.908 |
260 |
2519 |
|
|
42 |
Bu |
3171 |
2867 |
0.904 |
260 |
2520 |
|
|
43 |
Bu |
3158 |
2851 |
0.903 |
260 |
2521 |
|
|
44 |
Bu |
1643 |
1476 |
0.898 |
260 |
2522 |
|
|
45 |
Bu |
1630 |
1465 |
0.899 |
260 |
2523 |
|
|
46 |
Bu |
1618 |
1452 |
0.898 |
260 |
2524 |
|
|
47 |
Bu |
1550 |
1387 |
0.895 |
260 |
2525 |
|
|
48 |
Bu |
1516 |
1375 |
0.907 |
260 |
2526 |
|
|
49 |
Bu |
1373 |
1249 |
0.909 |
260 |
2527 |
|
|
50 |
Bu |
1151 |
1061 |
0.922 |
260 |
2528 |
|
|
51 |
Bu |
1117 |
1035 |
0.927 |
260 |
2529 |
|
|
52 |
Bu |
942 |
888 |
0.943 |
260 |
2530 |
|
|
53 |
Bu |
491 |
470 |
0.957 |
260 |
2531 |
|
|
54 |
Bu |
139 |
139 |
0.998 |
260 |
2532 |