H2 |
Hydrogen diatomic |
1 |
Σg |
4997 |
4161 |
0.833 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1722 |
1360 |
0.790 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
381 |
346 |
0.909 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
2015 |
1133 |
0.562 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
473 |
158 |
0.334 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
2345 |
1987 |
0.847 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
2008 |
1432 |
0.713 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2552 |
2269 |
0.889 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
2149 |
1625 |
0.756 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2876 |
2733 |
0.950 |
10 |
10 |
|
|
1 |
Σ |
3330 |
|
|
10 |
11 |
C2 |
Carbon diatomic |
1 |
Σg |
2039 |
1827 |
0.896 |
11 |
12 |
SiH |
Silylidyne |
1 |
Σ |
2394 |
1971 |
0.823 |
12 |
13 |
Si2 |
Silicon diatomic |
1 |
Σg |
641 |
507 |
0.790 |
13 |
14 |
NH |
Imidogen |
1 |
Σ |
3188 |
3126 |
0.980 |
14 |
15 |
CN |
Cyano radical |
1 |
Σ |
2126 |
2042 |
0.961 |
15 |
16 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2162 |
2330 |
1.078 |
16 |
17 |
SiN |
Silicon nitride |
1 |
Σ |
1292 |
1138 |
0.881 |
17 |
18 |
PH |
phosphorus monohydride |
1 |
Σ |
2638 |
2276 |
0.863 |
18 |
19 |
|
|
1 |
Σ |
2644 |
2319 |
0.877 |
18 |
20 |
CP |
Carbon monophosphide |
1 |
Σ |
1414 |
1226 |
0.867 |
19 |
21 |
PN |
Phosphorus mononitride |
1 |
Σ |
1389 |
1323 |
0.952 |
20 |
22 |
P2 |
Phosphorus diatomic |
1 |
Σg |
923 |
775 |
0.840 |
21 |
23 |
OH |
Hydroxyl radical |
1 |
Σ |
3540 |
3570 |
1.008 |
22 |
24 |
LiO |
lithium oxide |
1 |
Σ |
1244 |
799 |
0.642 |
23 |
25 |
BeO |
beryllium oxide |
1 |
Σ |
1631 |
1435 |
0.880 |
24 |
26 |
BO |
boron monoxide |
1 |
Σ |
1972 |
1862 |
0.944 |
25 |
27 |
CO |
Carbon monoxide |
1 |
Σ |
2059 |
2143 |
1.041 |
26 |
28 |
|
|
1 |
Σ |
1791 |
|
|
26 |
29 |
NaO |
sodium monoxide |
1 |
Σ |
780 |
|
|
27 |
30 |
MgO |
magnesium oxide |
1 |
Σ |
1080 |
775 |
0.717 |
28 |
31 |
SiO |
Silicon monoxide |
1 |
Σ |
1260 |
1230 |
0.976 |
29 |
32 |
HS |
Mercapto radical |
1 |
Σ |
2925 |
2599 |
0.888 |
30 |
33 |
BeS |
beryllium sulfide |
1 |
Σ |
1226 |
986 |
0.804 |
31 |
34 |
BS |
boron sulfide |
1 |
Σ |
1371 |
1167 |
0.852 |
32 |
35 |
CS |
carbon monosulfide |
1 |
Σ |
1351 |
1272 |
0.942 |
33 |
36 |
SO |
Sulfur monoxide |
1 |
Σ |
1141 |
1138 |
0.998 |
34 |
37 |
|
|
1 |
Σ |
1132 |
1054 |
0.932 |
34 |
38 |
MgS |
magnesium sulfide |
1 |
Σ |
749 |
523 |
0.699 |
35 |
39 |
AlS |
Aluminum sulfide |
1 |
Σ |
782 |
610 |
0.780 |
36 |
40 |
SiS |
silicon monosulfide |
1 |
Σ |
867 |
744 |
0.858 |
37 |
41 |
S2 |
Sulfur diatomic |
1 |
Σg |
797 |
720 |
0.903 |
38 |
42 |
HF |
Hydrogen fluoride |
1 |
Σ |
3844 |
3961 |
1.031 |
39 |
43 |
LiF |
lithium fluoride |
1 |
Σ |
1146 |
896 |
0.782 |
40 |
44 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1442 |
|
|
41 |
45 |
CF |
Fluoromethylidyne |
1 |
Σ |
1417 |
1286 |
0.908 |
42 |
46 |
NF |
nitrogen fluoride |
1 |
Σ |
1394 |
1123 |
0.806 |
43 |
47 |
F2 |
Fluorine diatomic |
1 |
Σg |
1399 |
894 |
0.639 |
44 |
48 |
NaF |
sodium fluoride |
1 |
Σ |
875 |
529 |
0.604 |
45 |
49 |
MgF |
Magnesium monofluoride |
1 |
Σ |
908 |
|
|
46 |
50 |
AlF |
Aluminum monofluoride |
1 |
Σ |
931 |
793 |
0.851 |
47 |
51 |
SiF |
silicon monofluoride |
1 |
Σ |
935 |
848 |
0.906 |
48 |
52 |
PF |
phosphorus monofluoride |
1 |
Σ |
949 |
838 |
0.883 |
49 |
53 |
SF |
Monosulfur monofluoride |
1 |
Σ |
967 |
829 |
0.857 |
50 |
54 |
HCl |
Hydrogen chloride |
1 |
Σ |
3052 |
2886 |
0.946 |
51 |
55 |
LiCl |
lithium chloride |
1 |
Σ |
803 |
634 |
0.790 |
52 |
56 |
BeCl |
beryllium monochloride |
1 |
Σ |
952 |
847 |
0.890 |
53 |
57 |
BCl |
boron monochloride |
1 |
Σ |
852 |
829 |
0.974 |
54 |
58 |
CCl |
carbon monochloride |
1 |
Σ |
887 |
866 |
0.976 |
55 |
59 |
ClO |
Monochlorine monoxide |
1 |
Σ |
904 |
843 |
0.932 |
56 |
60 |
ClF |
Chlorine monofluoride |
1 |
Σ |
880 |
773 |
0.879 |
57 |
61 |
NaCl |
Sodium Chloride |
1 |
Σ |
538 |
361 |
0.671 |
58 |
62 |
MgCl |
magnesium monochloride |
1 |
Σ |
546 |
|
|
59 |
63 |
AlCl |
Aluminum monochloride |
1 |
Σ |
545 |
478 |
0.876 |
60 |
64 |
SiCl |
Clorosilylidyne |
1 |
Σ |
589 |
531 |
0.902 |
61 |
65 |
PCl |
phosphorus chloride |
1 |
Σ |
606 |
547 |
0.903 |
62 |
66 |
SCl |
sulfur monochloride |
1 |
Σ |
634 |
577 |
0.910 |
63 |
67 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
607 |
554 |
0.913 |
64 |
68 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2577 |
2159 |
0.838 |
65 |
69 |
|
|
3 |
Πu |
740 |
698 |
0.943 |
65 |
70 |
MgH2 |
magnesium dihydride |
2 |
Σu |
2329 |
1572 |
0.675 |
66 |
71 |
|
|
3 |
Πu |
557 |
440 |
0.790 |
66 |
72 |
BH2 |
boron dihydride |
2 |
A1 |
1157 |
954 |
0.824 |
67 |
73 |
AlH2 |
aluminum dihydride |
1 |
A1 |
2272 |
1770 |
0.779 |
68 |
74 |
|
|
2 |
A1 |
1015 |
760 |
0.748 |
68 |
75 |
|
|
3 |
B2 |
2347 |
1807 |
0.770 |
68 |
76 |
SiH2 |
silicon dihydride |
1 |
A1 |
2432 |
1996 |
0.821 |
69 |
77 |
|
|
2 |
A1 |
1284 |
999 |
0.778 |
69 |
78 |
|
|
3 |
B2 |
2465 |
1993 |
0.808 |
69 |
79 |
NH2 |
Amino radical |
1 |
A1 |
3243 |
3219 |
0.993 |
70 |
80 |
|
|
2 |
A1 |
1782 |
1497 |
0.840 |
70 |
81 |
|
|
3 |
B2 |
3427 |
3301 |
0.963 |
70 |
82 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3573 |
3312 |
0.927 |
71 |
83 |
|
|
2 |
Σ |
2155 |
2089 |
0.970 |
71 |
84 |
|
|
3 |
Π |
774 |
712 |
0.919 |
71 |
85 |
HNC |
hydrogen isocyanide |
1 |
Σ |
3754 |
3653 |
0.973 |
72 |
86 |
|
|
2 |
Σ |
2072 |
2029 |
0.979 |
72 |
87 |
|
|
3 |
Π |
596 |
477 |
0.801 |
72 |
88 |
PH2 |
Phosphino radical |
1 |
A1 |
2684 |
2310 |
0.861 |
73 |
89 |
|
|
2 |
A1 |
1367 |
1102 |
0.806 |
73 |
90 |
HCP |
Phosphaethyne |
1 |
Σ |
3532 |
3217 |
0.911 |
74 |
91 |
|
|
2 |
Σ |
1463 |
1278 |
0.874 |
74 |
92 |
|
|
3 |
Π |
754 |
674 |
0.895 |
74 |
93 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2352 |
2095 |
0.891 |
75 |
94 |
|
|
2 |
A' |
1140 |
1188 |
1.042 |
75 |
95 |
|
|
3 |
A' |
1098 |
986 |
0.898 |
75 |
96 |
H2O |
Water |
1 |
A1 |
3581 |
3657 |
1.021 |
76 |
97 |
|
|
2 |
A1 |
1978 |
1595 |
0.806 |
76 |
98 |
|
|
3 |
B2 |
3804 |
3756 |
0.987 |
76 |
99 |
LiOH |
lithium hydroxide |
1 |
Σ |
3922 |
3688 |
0.940 |
77 |
100 |
|
|
2 |
Σ |
1322 |
871 |
0.659 |
77 |
101 |
|
|
3 |
Π |
741 |
257 |
0.346 |
77 |
102 |
HBO |
Boron hydride oxide |
1 |
Σ |
3189 |
2850 |
0.894 |
78 |
103 |
|
|
2 |
Σ |
1941 |
1826 |
0.941 |
78 |
104 |
|
|
3 |
Π |
777 |
756 |
0.974 |
78 |
105 |
HCO |
Formyl radical |
1 |
A' |
2934 |
2434 |
0.830 |
79 |
106 |
|
|
2 |
A' |
1873 |
1868 |
0.997 |
79 |
107 |
|
|
3 |
A' |
1131 |
1081 |
0.955 |
79 |
108 |
HNO |
Nitrosyl hydride |
1 |
A' |
2768 |
2684 |
0.970 |
80 |
109 |
|
|
2 |
A' |
1593 |
1565 |
0.982 |
80 |
110 |
|
|
3 |
A' |
1536 |
1501 |
0.977 |
80 |
111 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3163 |
3436 |
1.086 |
81 |
112 |
|
|
2 |
A' |
1477 |
1392 |
0.943 |
81 |
113 |
|
|
3 |
A' |
1285 |
1098 |
0.854 |
81 |
114 |
N2O |
Nitrous oxide |
1 |
Σ |
2238 |
2224 |
0.994 |
82 |
115 |
|
|
2 |
Σ |
1230 |
1285 |
1.044 |
82 |
116 |
|
|
3 |
Π |
449 |
589 |
1.312 |
82 |
117 |
SiO2 |
silicon dioxide |
2 |
Σu |
1349 |
1416 |
1.050 |
83 |
118 |
|
|
3 |
Πu |
142 |
273 |
1.922 |
83 |
119 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2948 |
2615 |
0.887 |
84 |
120 |
|
|
2 |
A1 |
1429 |
1183 |
0.828 |
84 |
121 |
|
|
3 |
B2 |
2999 |
2626 |
0.876 |
84 |
122 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
3149 |
2736 |
0.869 |
85 |
123 |
|
|
2 |
Σ |
1371 |
1172 |
0.855 |
85 |
124 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2204 |
2062 |
0.935 |
86 |
125 |
|
|
2 |
Σ |
921 |
859 |
0.932 |
86 |
126 |
|
|
3 |
Π |
447 |
520 |
1.163 |
86 |
127 |
SO2 |
Sulfur dioxide |
1 |
A1 |
985 |
1151 |
1.169 |
87 |
128 |
|
|
2 |
A1 |
398 |
518 |
1.302 |
87 |
129 |
|
|
3 |
B2 |
1035 |
1362 |
1.316 |
87 |
130 |
SSO |
Disulfur monoxide |
1 |
A' |
1020 |
1166 |
1.143 |
88 |
131 |
|
|
2 |
A' |
668 |
679 |
1.016 |
88 |
132 |
|
|
3 |
A' |
325 |
380 |
1.170 |
88 |
133 |
HOF |
Hypofluorous acid |
1 |
A' |
3465 |
3578 |
1.033 |
89 |
134 |
|
|
2 |
A' |
1423 |
1362 |
0.958 |
89 |
135 |
|
|
3 |
A' |
1297 |
893 |
0.689 |
89 |
136 |
CF2 |
Difluoromethylene |
1 |
A1 |
1291 |
1225 |
0.949 |
90 |
137 |
|
|
2 |
A1 |
607 |
667 |
1.098 |
90 |
138 |
|
|
3 |
B2 |
1254 |
1114 |
0.889 |
90 |
139 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1623 |
1844 |
1.136 |
91 |
140 |
|
|
2 |
A' |
1126 |
766 |
0.680 |
91 |
141 |
|
|
3 |
A' |
611 |
520 |
0.852 |
91 |
142 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1264 |
1075 |
0.850 |
92 |
143 |
|
|
2 |
A1 |
524 |
573 |
1.094 |
92 |
144 |
|
|
3 |
B2 |
1222 |
942 |
0.771 |
92 |
145 |
F2O |
Difluorine monoxide |
1 |
A1 |
1266 |
928 |
0.733 |
93 |
146 |
|
|
2 |
A1 |
474 |
461 |
0.972 |
93 |
147 |
|
|
3 |
B2 |
1207 |
831 |
0.688 |
93 |
148 |
HOCl |
hypochlorous acid |
1 |
A' |
3611 |
3609 |
0.999 |
94 |
149 |
|
|
2 |
A' |
1315 |
1239 |
0.942 |
94 |
150 |
|
|
3 |
A' |
846 |
724 |
0.856 |
94 |
151 |
ClCN |
chlorocyanogen |
1 |
Σ |
2288 |
2216 |
0.969 |
95 |
152 |
|
|
2 |
Σ |
724 |
744 |
1.028 |
95 |
153 |
|
|
3 |
Π |
368 |
378 |
1.027 |
95 |
154 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1736 |
1800 |
1.037 |
96 |
155 |
|
|
2 |
A' |
708 |
596 |
0.841 |
96 |
156 |
|
|
3 |
A' |
410 |
332 |
0.810 |
96 |
157 |
OClO |
Chlorine dioxide |
1 |
A1 |
741 |
946 |
1.276 |
97 |
158 |
|
|
2 |
A1 |
253 |
448 |
1.772 |
97 |
159 |
|
|
3 |
B2 |
678 |
1110 |
1.637 |
97 |
160 |
CCl2 |
dichloromethylene |
1 |
A1 |
810 |
730 |
0.902 |
98 |
161 |
|
|
2 |
A1 |
295 |
335 |
1.134 |
98 |
162 |
|
|
3 |
B2 |
835 |
758 |
0.907 |
98 |
163 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
768 |
639 |
0.832 |
99 |
164 |
|
|
2 |
A1 |
271 |
296 |
1.092 |
99 |
165 |
|
|
3 |
B2 |
805 |
686 |
0.852 |
99 |
166 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
582 |
522 |
0.896 |
100 |
167 |
|
|
2 |
A1 |
202 |
201 |
0.991 |
100 |
168 |
|
|
3 |
B2 |
579 |
509 |
0.880 |
100 |
169 |
ClS2 |
Sulfur chloride |
1 |
A' |
757 |
662 |
0.875 |
101 |
170 |
|
|
2 |
A' |
474 |
450 |
0.949 |
101 |
171 |
|
|
3 |
A' |
201 |
196 |
0.974 |
101 |
172 |
BH3 |
boron trihydride |
2 |
A2" |
1203 |
1148 |
0.954 |
102 |
173 |
|
|
3 |
E' |
3111 |
2602 |
0.836 |
102 |
174 |
|
|
4 |
E' |
1322 |
1197 |
0.905 |
102 |
175 |
AlH3 |
aluminum trihydride |
1 |
A1' |
2424 |
1900 |
0.784 |
103 |
176 |
|
|
2 |
A2" |
819 |
698 |
0.852 |
103 |
177 |
|
|
3 |
E' |
2495 |
1883 |
0.755 |
103 |
178 |
|
|
4 |
E' |
949 |
783 |
0.825 |
103 |
179 |
SiH3 |
Silyl radical |
1 |
A1 |
2546 |
2136 |
0.839 |
104 |
180 |
|
|
2 |
A1 |
946 |
728 |
0.769 |
104 |
181 |
|
|
3 |
E |
2634 |
2185 |
0.830 |
104 |
182 |
|
|
4 |
E |
1081 |
922 |
0.853 |
104 |
183 |
NH3 |
Ammonia |
1 |
A1 |
3377 |
3337 |
0.988 |
105 |
184 |
|
|
2 |
A1 |
1272 |
950 |
0.747 |
105 |
185 |
|
|
3 |
E |
3648 |
3444 |
0.944 |
105 |
186 |
|
|
4 |
E |
1900 |
1627 |
0.856 |
105 |
187 |
C2N2 |
Cyanogen |
1 |
Σg |
2325 |
2330 |
1.002 |
106 |
188 |
|
|
2 |
Σg |
872 |
846 |
0.970 |
106 |
189 |
|
|
3 |
Σu |
2158 |
2158 |
1.000 |
106 |
190 |
|
|
4 |
Πg |
568 |
503 |
0.886 |
106 |
191 |
|
|
5 |
Πu |
230 |
234 |
1.019 |
106 |
192 |
PH3 |
Phosphine |
1 |
A1 |
2724 |
2323 |
0.853 |
107 |
193 |
|
|
2 |
A1 |
1281 |
992 |
0.774 |
107 |
194 |
|
|
3 |
E |
2785 |
2328 |
0.836 |
107 |
195 |
|
|
4 |
E |
1365 |
1118 |
0.819 |
107 |
196 |
P4 |
Phosphorus tetramer |
1 |
A1 |
759 |
601 |
0.791 |
108 |
197 |
|
|
2 |
E |
448 |
361 |
0.805 |
108 |
198 |
|
|
3 |
T2 |
577 |
467 |
0.809 |
108 |
199 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3512 |
3599 |
1.025 |
109 |
200 |
|
|
2 |
A |
1475 |
1402 |
0.950 |
109 |
201 |
|
|
3 |
A |
1200 |
877 |
0.731 |
109 |
202 |
|
|
4 |
A |
199 |
371 |
1.862 |
109 |
203 |
|
|
5 |
B |
3522 |
3608 |
1.024 |
109 |
204 |
|
|
6 |
B |
1359 |
1266 |
0.932 |
109 |
205 |
HNO2 |
Nitrous acid |
1 |
A' |
3625 |
3591 |
0.990 |
110 |
206 |
|
|
2 |
A' |
1667 |
1700 |
1.020 |
110 |
207 |
|
|
3 |
A' |
1299 |
1263 |
0.972 |
110 |
208 |
|
|
4 |
A' |
1036 |
790 |
0.762 |
110 |
209 |
|
|
5 |
A' |
571 |
596 |
1.043 |
110 |
210 |
|
|
6 |
A" |
605 |
543 |
0.897 |
110 |
211 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2178 |
2060 |
0.946 |
111 |
212 |
|
|
2 |
Σg |
671 |
585 |
0.872 |
111 |
213 |
|
|
3 |
Σu |
2001 |
1898 |
0.948 |
111 |
214 |
|
|
4 |
Πg |
530 |
410 |
0.774 |
111 |
215 |
|
|
5 |
Πu |
209 |
213 |
1.017 |
111 |
216 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3233 |
2971 |
0.919 |
112 |
217 |
|
|
2 |
A1 |
1647 |
1456 |
0.884 |
112 |
218 |
|
|
3 |
A1 |
1209 |
1059 |
0.876 |
112 |
219 |
|
|
4 |
B1 |
1010 |
990 |
0.981 |
112 |
220 |
|
|
5 |
B2 |
3357 |
3025 |
0.901 |
112 |
221 |
|
|
6 |
B2 |
1090 |
991 |
0.909 |
112 |
222 |
H2S2 |
Disulfane |
1 |
A |
2858 |
2556 |
0.894 |
113 |
223 |
|
|
2 |
A |
973 |
882 |
0.906 |
113 |
224 |
|
|
3 |
A |
613 |
515 |
0.839 |
113 |
225 |
|
|
4 |
A |
351 |
417 |
1.189 |
113 |
226 |
|
|
5 |
B |
2862 |
2559 |
0.894 |
113 |
227 |
|
|
6 |
B |
981 |
878 |
0.895 |
113 |
228 |
SO3 |
Sulfur trioxide |
1 |
A1' |
806 |
1065 |
1.321 |
114 |
229 |
|
|
2 |
A2" |
192 |
498 |
2.588 |
114 |
230 |
|
|
3 |
E' |
1034 |
1391 |
1.345 |
114 |
231 |
|
|
4 |
E' |
287 |
530 |
1.849 |
114 |
232 |
BHF2 |
Difluoroborane |
1 |
A1 |
2955 |
2621 |
0.887 |
115 |
233 |
|
|
2 |
A1 |
1248 |
1164 |
0.933 |
115 |
234 |
|
|
3 |
A1 |
555 |
542 |
0.977 |
115 |
235 |
|
|
4 |
B1 |
907 |
924 |
1.018 |
115 |
236 |
|
|
5 |
B2 |
1630 |
1402 |
0.860 |
115 |
237 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
921 |
888 |
0.964 |
116 |
238 |
|
|
2 |
A2" |
623 |
691 |
1.109 |
116 |
239 |
|
|
3 |
E' |
1587 |
1449 |
0.913 |
116 |
240 |
|
|
4 |
E' |
475 |
480 |
1.010 |
116 |
241 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1288 |
1523 |
1.183 |
117 |
242 |
|
|
2 |
Ag |
1214 |
1018 |
0.838 |
117 |
243 |
|
|
3 |
Ag |
576 |
603 |
1.047 |
117 |
244 |
|
|
4 |
Au |
310 |
364 |
1.176 |
117 |
245 |
|
|
5 |
Bu |
1286 |
991 |
0.771 |
117 |
246 |
|
|
6 |
Bu |
334 |
423 |
1.268 |
117 |
247 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1048 |
1089 |
1.039 |
118 |
248 |
|
|
2 |
A1 |
612 |
701 |
1.145 |
118 |
249 |
|
|
3 |
E |
1338 |
1260 |
0.942 |
118 |
250 |
|
|
4 |
E |
446 |
509 |
1.142 |
118 |
251 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1147 |
1032 |
0.899 |
119 |
252 |
|
|
2 |
A1 |
586 |
647 |
1.104 |
119 |
253 |
|
|
3 |
E |
1112 |
907 |
0.815 |
119 |
254 |
|
|
4 |
E |
416 |
492 |
1.184 |
119 |
255 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
722 |
690 |
0.956 |
120 |
256 |
|
|
2 |
A2" |
215 |
297 |
1.379 |
120 |
257 |
|
|
3 |
E' |
1058 |
935 |
0.884 |
120 |
258 |
|
|
4 |
E' |
219 |
263 |
1.204 |
120 |
259 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
875 |
892 |
1.019 |
121 |
260 |
|
|
2 |
A1 |
403 |
487 |
1.209 |
121 |
261 |
|
|
3 |
E |
850 |
860 |
1.012 |
121 |
262 |
|
|
4 |
E |
298 |
344 |
1.155 |
121 |
263 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
3050 |
2617 |
0.858 |
122 |
264 |
|
|
2 |
A1 |
793 |
740 |
0.933 |
122 |
265 |
|
|
4 |
B1 |
782 |
784 |
1.002 |
122 |
266 |
|
|
5 |
B2 |
1207 |
1089 |
0.902 |
122 |
267 |
|
|
6 |
B2 |
1014 |
892 |
0.879 |
122 |
268 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1310 |
1267 |
0.967 |
123 |
269 |
|
|
2 |
A1 |
703 |
793 |
1.127 |
123 |
270 |
|
|
3 |
A1 |
404 |
364 |
0.901 |
123 |
271 |
|
|
4 |
B1 |
521 |
652 |
1.251 |
123 |
272 |
|
|
5 |
B2 |
1772 |
1684 |
0.950 |
123 |
273 |
|
|
6 |
B2 |
346 |
408 |
1.180 |
123 |
274 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
625 |
752 |
1.204 |
124 |
275 |
|
|
2 |
A1 |
509 |
529 |
1.039 |
124 |
276 |
|
|
3 |
A1 |
222 |
328 |
1.476 |
124 |
277 |
|
|
4 |
B1 |
230 |
328 |
1.429 |
124 |
278 |
|
|
5 |
B2 |
793 |
702 |
0.885 |
124 |
279 |
|
|
6 |
B2 |
291 |
442 |
1.521 |
124 |
280 |
C2Cl2 |
dichloroacetylene |
4 |
Πg |
323 |
333 |
1.031 |
125 |
281 |
|
|
5 |
Πu |
171 |
172 |
1.008 |
125 |
282 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
918 |
820 |
0.893 |
126 |
283 |
|
|
2 |
A1 |
539 |
500 |
0.928 |
126 |
284 |
|
|
3 |
A1 |
216 |
250 |
1.160 |
126 |
285 |
|
|
4 |
B1 |
214 |
260 |
1.218 |
126 |
286 |
|
|
5 |
B2 |
1082 |
900 |
0.832 |
126 |
287 |
|
|
6 |
B2 |
191 |
200 |
1.047 |
126 |
288 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
503 |
471 |
0.936 |
127 |
289 |
|
|
2 |
A2" |
446 |
460 |
1.032 |
127 |
290 |
|
|
3 |
E' |
1092 |
956 |
0.875 |
127 |
291 |
|
|
4 |
E' |
261 |
243 |
0.933 |
127 |
292 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
1025 |
850 |
0.829 |
128 |
293 |
|
|
2 |
A1 |
479 |
450 |
0.939 |
128 |
294 |
|
|
3 |
A1 |
159 |
150 |
0.944 |
128 |
295 |
|
|
4 |
B1 |
210 |
220 |
1.049 |
128 |
296 |
|
|
5 |
B2 |
714 |
610 |
0.854 |
128 |
297 |
|
|
6 |
B2 |
205 |
200 |
0.977 |
128 |
298 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
429 |
375 |
0.875 |
129 |
299 |
|
|
2 |
A2" |
195 |
183 |
0.938 |
129 |
300 |
|
|
3 |
E' |
728 |
595 |
0.817 |
129 |
301 |
|
|
4 |
E' |
154 |
150 |
0.973 |
129 |
302 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
557 |
504 |
0.905 |
130 |
303 |
|
|
2 |
A1 |
236 |
252 |
1.069 |
130 |
304 |
|
|
3 |
E |
557 |
482 |
0.865 |
130 |
305 |
|
|
4 |
E |
168 |
198 |
1.181 |
130 |
306 |
ClSSCl |
Disulfur dichloride |
1 |
A |
647 |
546 |
0.845 |
131 |
307 |
|
|
2 |
A |
507 |
466 |
0.920 |
131 |
308 |
|
|
3 |
A |
194 |
202 |
1.040 |
131 |
309 |
|
|
4 |
A |
94 |
95 |
1.009 |
131 |
310 |
|
|
5 |
B |
516 |
461 |
0.894 |
131 |
311 |
|
|
6 |
B |
225 |
244 |
1.083 |
131 |
312 |
SiH4 |
Silane |
1 |
A1 |
2628 |
2187 |
0.832 |
132 |
313 |
|
|
2 |
E |
1129 |
975 |
0.864 |
132 |
314 |
|
|
3 |
T2 |
2703 |
2191 |
0.811 |
132 |
315 |
|
|
4 |
T2 |
1007 |
914 |
0.907 |
132 |
316 |
CH2NH |
Methanimine |
1 |
A' |
3434 |
3263 |
0.950 |
133 |
317 |
|
|
2 |
A' |
3397 |
3024 |
0.890 |
133 |
318 |
|
|
3 |
A' |
3260 |
2914 |
0.894 |
133 |
319 |
|
|
4 |
A' |
1735 |
1638 |
0.944 |
133 |
320 |
|
|
5 |
A' |
1533 |
1452 |
0.947 |
133 |
321 |
|
|
6 |
A' |
1430 |
1344 |
0.940 |
133 |
322 |
|
|
7 |
A' |
1086 |
1058 |
0.974 |
133 |
323 |
|
|
8 |
A" |
1209 |
1127 |
0.932 |
133 |
324 |
|
|
9 |
A" |
1047 |
1061 |
1.014 |
133 |
325 |
NH2OH |
hydroxylamine |
1 |
A' |
3631 |
3650 |
1.005 |
134 |
326 |
|
|
2 |
A' |
3280 |
3294 |
1.004 |
134 |
327 |
|
|
3 |
A' |
1784 |
1605 |
0.899 |
134 |
328 |
|
|
4 |
A' |
1494 |
1353 |
0.906 |
134 |
329 |
|
|
5 |
A' |
1220 |
1115 |
0.915 |
134 |
330 |
|
|
6 |
A' |
1077 |
895 |
0.831 |
134 |
331 |
|
|
7 |
A" |
3465 |
3359 |
0.969 |
134 |
332 |
|
|
8 |
A" |
1335 |
1295 |
0.970 |
134 |
333 |
|
|
9 |
A" |
215 |
386 |
1.792 |
134 |
334 |
CH2CO |
Ketene |
1 |
A1 |
3390 |
3070 |
0.906 |
135 |
335 |
|
|
2 |
A1 |
2320 |
2152 |
0.928 |
135 |
336 |
|
|
3 |
A1 |
1483 |
1388 |
0.936 |
135 |
337 |
|
|
4 |
A1 |
1182 |
1118 |
0.945 |
135 |
338 |
|
|
5 |
B1 |
669 |
588 |
0.878 |
135 |
339 |
|
|
6 |
B1 |
468 |
528 |
1.128 |
135 |
340 |
|
|
7 |
B2 |
3533 |
3166 |
0.896 |
135 |
341 |
|
|
8 |
B2 |
1011 |
977 |
0.966 |
135 |
342 |
|
|
9 |
B2 |
400 |
433 |
1.083 |
135 |
343 |
HCOOH |
Formic acid |
1 |
A' |
3618 |
3570 |
0.987 |
136 |
344 |
|
|
2 |
A' |
3215 |
2943 |
0.915 |
136 |
345 |
|
|
3 |
A' |
1871 |
1770 |
0.946 |
136 |
346 |
|
|
4 |
A' |
1437 |
1387 |
0.965 |
136 |
347 |
|
|
5 |
A' |
1366 |
1229 |
0.900 |
136 |
348 |
|
|
6 |
A' |
1113 |
1105 |
0.992 |
136 |
349 |
|
|
7 |
A' |
530 |
625 |
1.179 |
136 |
350 |
|
|
8 |
A" |
969 |
1033 |
1.066 |
136 |
351 |
|
|
9 |
A" |
716 |
638 |
0.892 |
136 |
352 |
HNO3 |
Nitric acid |
1 |
A' |
3560 |
3550 |
0.997 |
137 |
353 |
|
|
2 |
A' |
1752 |
1708 |
0.975 |
137 |
354 |
|
|
3 |
A' |
1321 |
1331 |
1.007 |
137 |
355 |
|
|
4 |
A' |
1253 |
1325 |
1.058 |
137 |
356 |
|
|
5 |
A' |
911 |
879 |
0.965 |
137 |
357 |
|
|
6 |
A' |
525 |
647 |
1.232 |
137 |
358 |
|
|
7 |
A' |
385 |
579 |
1.506 |
137 |
359 |
|
|
8 |
A" |
585 |
762 |
1.303 |
137 |
360 |
|
|
9 |
A" |
542 |
456 |
0.841 |
137 |
361 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2273 |
2196 |
0.966 |
138 |
362 |
|
|
2 |
Σg |
775 |
786 |
1.014 |
138 |
363 |
|
|
3 |
Σu |
2535 |
2258 |
0.891 |
138 |
364 |
|
|
4 |
Σu |
1590 |
1573 |
0.989 |
138 |
365 |
|
|
5 |
Πg |
495 |
573 |
1.157 |
138 |
366 |
|
|
6 |
Πu |
506 |
550 |
1.088 |
138 |
367 |
|
|
7 |
Πu |
133 |
61 |
0.460 |
138 |
368 |
CH3F |
Methyl fluoride |
1 |
A1 |
3153 |
2930 |
0.929 |
139 |
369 |
|
|
2 |
A1 |
1609 |
1464 |
0.910 |
139 |
370 |
|
|
3 |
A1 |
1216 |
1049 |
0.863 |
139 |
371 |
|
|
4 |
E |
3282 |
3006 |
0.916 |
139 |
372 |
|
|
5 |
E |
1623 |
1467 |
0.904 |
139 |
373 |
|
|
6 |
E |
1214 |
1182 |
0.974 |
139 |
374 |
FNO3 |
Fluorine nitrate |
1 |
A' |
1768 |
1759 |
0.995 |
140 |
375 |
|
|
2 |
A' |
1357 |
1301 |
0.959 |
140 |
376 |
|
|
3 |
A' |
1300 |
928 |
0.714 |
140 |
377 |
|
|
4 |
A' |
814 |
804 |
0.987 |
140 |
378 |
|
|
5 |
A' |
599 |
633 |
1.056 |
140 |
379 |
|
|
6 |
A' |
418 |
455 |
1.088 |
140 |
380 |
|
|
7 |
A' |
225 |
303 |
1.349 |
140 |
381 |
|
|
8 |
A" |
504 |
709 |
1.406 |
140 |
382 |
|
|
9 |
A" |
173 |
152 |
0.879 |
140 |
383 |
SiH3F |
monofluorosilane |
1 |
A1 |
2558 |
2206 |
0.862 |
141 |
384 |
|
|
2 |
A1 |
1087 |
990 |
0.911 |
141 |
385 |
|
|
3 |
A1 |
893 |
872 |
0.977 |
141 |
386 |
|
|
4 |
E |
2605 |
2196 |
0.843 |
141 |
387 |
|
|
5 |
E |
1064 |
956 |
0.899 |
141 |
388 |
|
|
6 |
E |
743 |
728 |
0.979 |
141 |
389 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
699 |
800 |
1.144 |
142 |
390 |
|
|
2 |
E |
207 |
268 |
1.292 |
142 |
391 |
|
|
3 |
T2 |
990 |
1032 |
1.042 |
142 |
392 |
|
|
4 |
T2 |
302 |
389 |
1.287 |
142 |
393 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1228 |
1417 |
1.154 |
143 |
394 |
|
|
2 |
A1 |
718 |
873 |
1.215 |
143 |
395 |
|
|
3 |
A1 |
331 |
472 |
1.427 |
143 |
396 |
|
|
4 |
E |
863 |
991 |
1.149 |
143 |
397 |
|
|
5 |
E |
293 |
482 |
1.647 |
143 |
398 |
|
|
6 |
E |
213 |
336 |
1.580 |
143 |
399 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2609 |
2201 |
0.844 |
144 |
400 |
|
|
2 |
A1 |
1008 |
949 |
0.942 |
144 |
401 |
|
|
3 |
A1 |
605 |
551 |
0.910 |
144 |
402 |
|
|
4 |
E |
2674 |
2195 |
0.821 |
144 |
403 |
|
|
5 |
E |
1044 |
954 |
0.914 |
144 |
404 |
|
|
6 |
E |
705 |
664 |
0.942 |
144 |
405 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2607 |
2224 |
0.853 |
145 |
406 |
|
|
2 |
A1 |
1006 |
954 |
0.949 |
145 |
407 |
|
|
3 |
A1 |
563 |
527 |
0.936 |
145 |
408 |
|
|
4 |
A1 |
184 |
188 |
1.022 |
145 |
409 |
|
|
5 |
A2 |
765 |
710 |
0.929 |
145 |
410 |
|
|
6 |
B1 |
2658 |
2237 |
0.842 |
145 |
411 |
|
|
7 |
B1 |
603 |
602 |
0.998 |
145 |
412 |
|
|
8 |
B2 |
911 |
876 |
0.962 |
145 |
413 |
|
|
9 |
B2 |
644 |
590 |
0.917 |
145 |
414 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
669 |
1061 |
1.585 |
146 |
415 |
|
|
2 |
A1 |
501 |
715 |
1.428 |
146 |
416 |
|
|
3 |
A1 |
199 |
549 |
2.764 |
146 |
417 |
|
|
4 |
E |
794 |
1315 |
1.655 |
146 |
418 |
|
|
5 |
E |
214 |
589 |
2.753 |
146 |
419 |
|
|
6 |
E |
138 |
405 |
2.931 |
146 |
420 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
975 |
1205 |
1.236 |
147 |
421 |
|
|
2 |
A1 |
435 |
577 |
1.325 |
147 |
422 |
|
|
3 |
A1 |
265 |
408 |
1.542 |
147 |
423 |
|
|
4 |
A1 |
110 |
218 |
1.973 |
147 |
424 |
|
|
5 |
A2 |
174 |
282 |
1.619 |
147 |
425 |
|
|
6 |
B1 |
458 |
586 |
1.280 |
147 |
426 |
|
|
7 |
B1 |
241 |
388 |
1.613 |
147 |
427 |
|
|
8 |
B2 |
1100 |
1434 |
1.304 |
147 |
428 |
|
|
9 |
B2 |
230 |
362 |
1.572 |
147 |
429 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2596 |
2261 |
0.871 |
148 |
430 |
|
|
2 |
A1 |
511 |
499 |
0.977 |
148 |
431 |
|
|
3 |
A1 |
238 |
254 |
1.068 |
148 |
432 |
|
|
4 |
E |
821 |
811 |
0.988 |
148 |
433 |
|
|
5 |
E |
644 |
600 |
0.932 |
148 |
434 |
|
|
6 |
E |
164 |
176 |
1.075 |
148 |
435 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1230 |
1322 |
1.075 |
149 |
436 |
|
|
2 |
A1 |
454 |
481 |
1.058 |
149 |
437 |
|
|
3 |
A1 |
204 |
266 |
1.306 |
149 |
438 |
|
|
4 |
E |
546 |
590 |
1.080 |
149 |
439 |
|
|
5 |
E |
249 |
333 |
1.335 |
149 |
440 |
|
|
6 |
E |
139 |
187 |
1.350 |
149 |
441 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
424 |
424 |
1.000 |
150 |
442 |
|
|
2 |
E |
133 |
150 |
1.126 |
150 |
443 |
|
|
3 |
T2 |
664 |
621 |
0.935 |
150 |
444 |
|
|
4 |
T2 |
201 |
221 |
1.097 |
150 |
445 |
C3H3 |
Propargyl radical |
1 |
A1 |
3635 |
3322 |
0.914 |
151 |
446 |
|
|
6 |
B1 |
663 |
687 |
1.036 |
151 |
447 |
|
|
7 |
B1 |
482 |
490 |
1.017 |
151 |
448 |
C4H2 |
Diacetylene |
6 |
Πg |
679 |
627 |
0.923 |
152 |
449 |
|
|
7 |
Πg |
554 |
482 |
0.871 |
152 |
450 |
|
|
8 |
Πu |
681 |
630 |
0.925 |
152 |
451 |
|
|
9 |
Πu |
233 |
231 |
0.993 |
152 |
452 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2368 |
2290 |
0.967 |
153 |
453 |
|
|
2 |
Σg |
2149 |
2119 |
0.986 |
153 |
454 |
|
|
3 |
Σg |
624 |
692 |
1.110 |
153 |
455 |
|
|
4 |
Σu |
2264 |
2241 |
0.990 |
153 |
456 |
|
|
5 |
Σu |
1199 |
1154 |
0.962 |
153 |
457 |
|
|
6 |
Πg |
572 |
504 |
0.880 |
153 |
458 |
|
|
7 |
Πg |
268 |
263 |
0.981 |
153 |
459 |
|
|
8 |
Πu |
512 |
472 |
0.922 |
153 |
460 |
|
|
9 |
Πu |
108 |
107 |
0.991 |
153 |
461 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
684 |
816 |
1.193 |
154 |
462 |
|
|
2 |
A1' |
643 |
648 |
1.008 |
154 |
463 |
|
|
3 |
A2" |
984 |
947 |
0.963 |
154 |
464 |
|
|
4 |
A2" |
411 |
575 |
1.400 |
154 |
465 |
|
|
5 |
E' |
916 |
1024 |
1.118 |
154 |
466 |
|
|
6 |
E' |
372 |
533 |
1.433 |
154 |
467 |
|
|
7 |
E' |
65 |
174 |
2.696 |
154 |
468 |
|
|
8 |
E" |
360 |
520 |
1.445 |
154 |
469 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3569 |
3602 |
1.009 |
155 |
470 |
|
|
2 |
A |
1235 |
1486 |
1.203 |
155 |
471 |
|
|
3 |
A |
1092 |
1243 |
1.139 |
155 |
472 |
|
|
4 |
A |
962 |
1150 |
1.195 |
155 |
473 |
|
|
5 |
A |
720 |
896 |
1.245 |
155 |
474 |
|
|
6 |
A |
648 |
823 |
1.271 |
155 |
475 |
|
|
7 |
A |
334 |
562 |
1.684 |
155 |
476 |
|
|
8 |
A |
288 |
551 |
1.911 |
155 |
477 |
|
|
9 |
A |
281 |
518 |
1.845 |
155 |
478 |
|
|
10 |
A |
268 |
409 |
1.525 |
155 |
479 |
|
|
11 |
A |
177 |
390 |
2.200 |
155 |
480 |
|
|
12 |
A |
170 |
266 |
1.561 |
155 |
481 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1248 |
1122 |
0.899 |
156 |
482 |
|
|
2 |
A1 |
435 |
401 |
0.921 |
156 |
483 |
|
|
3 |
A1 |
177 |
176 |
0.992 |
156 |
484 |
|
|
5 |
B2 |
797 |
728 |
0.913 |
156 |
485 |
|
|
6 |
B2 |
299 |
289 |
0.968 |
156 |
486 |
|
|
7 |
E |
1055 |
917 |
0.869 |
156 |
487 |
|
|
8 |
E |
498 |
512 |
1.028 |
156 |
488 |
|
|
9 |
E |
93 |
104 |
1.122 |
156 |
489 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
389 |
394 |
1.012 |
157 |
490 |
|
|
2 |
A1' |
340 |
264 |
0.777 |
157 |
491 |
|
|
3 |
A2" |
596 |
465 |
0.781 |
157 |
492 |
|
|
4 |
A2" |
256 |
299 |
1.166 |
157 |
493 |
|
|
5 |
E' |
585 |
592 |
1.012 |
157 |
494 |
|
|
6 |
E' |
230 |
273 |
1.188 |
157 |
495 |
|
|
7 |
E' |
62 |
100 |
1.620 |
157 |
496 |
|
|
8 |
E" |
216 |
282 |
1.303 |
157 |
497 |
CH2CCH2 |
allene |
1 |
A1 |
3347 |
3015 |
0.901 |
158 |
498 |
|
|
2 |
A1 |
1573 |
1443 |
0.917 |
158 |
499 |
|
|
3 |
A1 |
1165 |
1073 |
0.921 |
158 |
500 |
|
|
4 |
B1 |
938 |
865 |
0.923 |
158 |
501 |
|
|
5 |
B2 |
3346 |
3007 |
0.899 |
158 |
502 |
|
|
6 |
B2 |
2206 |
1957 |
0.887 |
158 |
503 |
|
|
7 |
B2 |
1506 |
1398 |
0.928 |
158 |
504 |
|
|
8 |
E |
3480 |
3086 |
0.887 |
158 |
505 |
|
|
9 |
E |
1065 |
999 |
0.938 |
158 |
506 |
|
|
10 |
E |
910 |
841 |
0.924 |
158 |
507 |
|
|
11 |
E |
367 |
355 |
0.968 |
158 |
508 |
C3H4 |
cyclopropene |
1 |
A1 |
3543 |
3158 |
0.891 |
159 |
509 |
|
|
2 |
A1 |
3314 |
2909 |
0.878 |
159 |
510 |
|
|
3 |
A1 |
1844 |
1653 |
0.896 |
159 |
511 |
|
|
4 |
A1 |
1624 |
1483 |
0.913 |
159 |
512 |
|
|
5 |
A1 |
1319 |
1110 |
0.842 |
159 |
513 |
|
|
6 |
A1 |
973 |
905 |
0.930 |
159 |
514 |
|
|
7 |
A2 |
1091 |
996 |
0.913 |
159 |
515 |
|
|
8 |
A2 |
899 |
820 |
0.913 |
159 |
516 |
|
|
9 |
B1 |
3448 |
2995 |
0.869 |
159 |
517 |
|
|
10 |
B1 |
1161 |
1088 |
0.937 |
159 |
518 |
|
|
11 |
B1 |
659 |
569 |
0.863 |
159 |
519 |
|
|
12 |
B2 |
3473 |
3124 |
0.899 |
159 |
520 |
|
|
13 |
B2 |
1181 |
1043 |
0.883 |
159 |
521 |
|
|
14 |
B2 |
1132 |
1011 |
0.893 |
159 |
522 |
|
|
15 |
B2 |
889 |
769 |
0.865 |
159 |
523 |
C2H4S |
Thiirane |
1 |
A1 |
3335 |
3014 |
0.904 |
160 |
524 |
|
|
2 |
A1 |
1599 |
1457 |
0.911 |
160 |
525 |
|
|
5 |
A1 |
814 |
627 |
0.770 |
160 |
526 |
|
|
11 |
B1 |
882 |
824 |
0.935 |
160 |
527 |
|
|
12 |
B2 |
3331 |
3013 |
0.905 |
160 |
528 |
|
|
14 |
B2 |
1166 |
1051 |
0.901 |
160 |
529 |
H2SO4 |
Sulfuric acid |
1 |
A |
3564 |
3563 |
1.000 |
161 |
530 |
|
|
2 |
A |
1178 |
1216 |
1.032 |
161 |
531 |
|
|
3 |
A |
948 |
1136 |
1.199 |
161 |
532 |
|
|
4 |
A |
633 |
831 |
1.314 |
161 |
533 |
|
|
5 |
A |
346 |
548 |
1.584 |
161 |
534 |
|
|
6 |
A |
258 |
422 |
1.637 |
161 |
535 |
|
|
7 |
A |
161 |
379 |
2.351 |
161 |
536 |
|
|
8 |
A |
145 |
224 |
1.540 |
161 |
537 |
|
|
9 |
B |
3565 |
3567 |
1.001 |
161 |
538 |
|
|
10 |
B |
1269 |
1452 |
1.145 |
161 |
539 |
|
|
11 |
B |
1063 |
1157 |
1.088 |
161 |
540 |
|
|
12 |
B |
700 |
882 |
1.259 |
161 |
541 |
|
|
13 |
B |
342 |
558 |
1.634 |
161 |
542 |
|
|
14 |
B |
283 |
506 |
1.786 |
161 |
543 |
|
|
15 |
B |
228 |
288 |
1.264 |
161 |
544 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3480 |
3043 |
0.875 |
162 |
545 |
|
|
2 |
A' |
3292 |
2955 |
0.898 |
162 |
546 |
|
|
3 |
A' |
1893 |
1870 |
0.988 |
162 |
547 |
|
|
4 |
A' |
1608 |
1440 |
0.895 |
162 |
548 |
|
|
5 |
A' |
1477 |
1378 |
0.933 |
162 |
549 |
|
|
6 |
A' |
1318 |
1188 |
0.901 |
162 |
550 |
|
|
7 |
A' |
1040 |
1000 |
0.961 |
162 |
551 |
|
|
8 |
A' |
880 |
826 |
0.939 |
162 |
552 |
|
|
9 |
A' |
551 |
598 |
1.086 |
162 |
553 |
|
|
10 |
A' |
384 |
420 |
1.094 |
162 |
554 |
|
|
11 |
A" |
3455 |
3004 |
0.869 |
162 |
555 |
|
|
12 |
A" |
1610 |
1437 |
0.892 |
162 |
556 |
|
|
13 |
A" |
1074 |
1054 |
0.982 |
162 |
557 |
|
|
14 |
A" |
532 |
567 |
1.066 |
162 |
558 |
|
|
15 |
A" |
69 |
123 |
1.778 |
162 |
559 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
633 |
774 |
1.222 |
163 |
560 |
|
|
2 |
Eg |
600 |
642 |
1.070 |
163 |
561 |
|
|
3 |
T1u |
956 |
948 |
0.991 |
163 |
562 |
|
|
4 |
T1u |
381 |
616 |
1.617 |
163 |
563 |
|
|
5 |
T2g |
316 |
525 |
1.661 |
163 |
564 |
|
|
6 |
T2u |
221 |
347 |
1.567 |
163 |
565 |
B2H6 |
Diborane |
1 |
Ag |
3000 |
2530 |
0.844 |
164 |
566 |
|
|
2 |
Ag |
2343 |
2088 |
0.891 |
164 |
567 |
|
|
3 |
Ag |
1297 |
1183 |
0.912 |
164 |
568 |
|
|
4 |
Ag |
849 |
790 |
0.930 |
164 |
569 |
|
|
5 |
Au |
926 |
833 |
0.900 |
164 |
570 |
|
|
6 |
B1g |
3149 |
2596 |
0.824 |
164 |
571 |
|
|
7 |
B1g |
1004 |
915 |
0.911 |
164 |
572 |
|
|
8 |
B1u |
2252 |
1930 |
0.857 |
164 |
573 |
|
|
9 |
B1u |
1061 |
973 |
0.917 |
164 |
574 |
|
|
10 |
B2g |
1872 |
1760 |
0.940 |
164 |
575 |
|
|
11 |
B2g |
959 |
860 |
0.897 |
164 |
576 |
|
|
12 |
B2u |
3150 |
2609 |
0.828 |
164 |
577 |
|
|
13 |
B2u |
964 |
949 |
0.984 |
164 |
578 |
|
|
14 |
B2u |
296 |
369 |
1.244 |
164 |
579 |
|
|
15 |
B3g |
1093 |
1020 |
0.934 |
164 |
580 |
|
|
16 |
B3u |
2999 |
2520 |
0.840 |
164 |
581 |
|
|
17 |
B3u |
1659 |
1603 |
0.966 |
164 |
582 |
|
|
18 |
B3u |
1297 |
1172 |
0.904 |
164 |
583 |
C3H5 |
Allyl radical |
1 |
A1 |
3544 |
3114 |
0.879 |
165 |
584 |
|
|
2 |
A1 |
3421 |
3048 |
0.891 |
165 |
585 |
|
|
4 |
A1 |
1604 |
1488 |
0.927 |
165 |
586 |
|
|
5 |
A1 |
1337 |
1245 |
0.931 |
165 |
587 |
|
|
6 |
A1 |
1087 |
1066 |
0.981 |
165 |
588 |
|
|
7 |
A1 |
425 |
427 |
1.005 |
165 |
589 |
|
|
9 |
A2 |
592 |
549 |
0.928 |
165 |
590 |
|
|
10 |
B1 |
1063 |
968 |
0.910 |
165 |
591 |
|
|
11 |
B1 |
808 |
802 |
0.992 |
165 |
592 |
|
|
12 |
B1 |
546 |
518 |
0.949 |
165 |
593 |
|
|
13 |
B2 |
3543 |
3105 |
0.876 |
165 |
594 |
|
|
14 |
B2 |
3373 |
3016 |
0.894 |
165 |
595 |
|
|
15 |
B2 |
1590 |
1463 |
0.920 |
165 |
596 |
|
|
16 |
B2 |
1494 |
1389 |
0.930 |
165 |
597 |
|
|
17 |
B2 |
1284 |
1182 |
0.921 |
165 |
598 |
Si2H6 |
disilane |
1 |
A1g |
2618 |
2152 |
0.822 |
166 |
599 |
|
|
2 |
A1g |
1043 |
909 |
0.872 |
166 |
600 |
|
|
3 |
A1g |
558 |
434 |
0.778 |
166 |
601 |
|
|
4 |
A1u |
97 |
131 |
1.346 |
166 |
602 |
|
|
5 |
A2u |
2620 |
2154 |
0.822 |
166 |
603 |
|
|
6 |
A2u |
966 |
844 |
0.873 |
166 |
604 |
|
|
7 |
Eg |
2671 |
2155 |
0.807 |
166 |
605 |
|
|
8 |
Eg |
1091 |
929 |
0.851 |
166 |
606 |
|
|
9 |
Eg |
720 |
625 |
0.868 |
166 |
607 |
|
|
10 |
Eu |
2678 |
2179 |
0.814 |
166 |
608 |
|
|
11 |
Eu |
1097 |
940 |
0.856 |
166 |
609 |
|
|
12 |
Eu |
478 |
379 |
0.794 |
166 |
610 |
CH3NO3 |
Methyl nitrate |
1 |
A' |
3424 |
3008 |
0.879 |
167 |
611 |
|
|
2 |
A' |
3229 |
2941 |
0.911 |
167 |
612 |
|
|
3 |
A' |
1727 |
1678 |
0.972 |
167 |
613 |
|
|
4 |
A' |
1603 |
1468 |
0.916 |
167 |
614 |
|
|
5 |
A' |
1494 |
1430 |
0.957 |
167 |
615 |
|
|
6 |
A' |
1302 |
1287 |
0.988 |
167 |
616 |
|
|
7 |
A' |
1173 |
1176 |
1.003 |
167 |
617 |
|
|
8 |
A' |
1095 |
1017 |
0.929 |
167 |
618 |
|
|
9 |
A' |
848 |
854 |
1.007 |
167 |
619 |
|
|
10 |
A' |
578 |
657 |
1.136 |
167 |
620 |
|
|
11 |
A' |
484 |
578 |
1.195 |
167 |
621 |
|
|
12 |
A' |
305 |
340 |
1.114 |
167 |
622 |
|
|
13 |
A" |
3377 |
3008 |
0.891 |
167 |
623 |
|
|
14 |
A" |
1561 |
1455 |
0.932 |
167 |
624 |
|
|
15 |
A" |
1150 |
1136 |
0.988 |
167 |
625 |
|
|
16 |
A" |
562 |
758 |
1.349 |
167 |
626 |
|
|
17 |
A" |
157 |
|
|
167 |
627 |
|
|
18 |
A" |
66 |
|
|
167 |
628 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3297 |
2974 |
0.902 |
168 |
629 |
|
|
2 |
A1 |
1473 |
1412 |
0.959 |
168 |
630 |
|
|
3 |
A1 |
1212 |
1278 |
1.055 |
168 |
631 |
|
|
4 |
A1 |
823 |
828 |
1.006 |
168 |
632 |
|
|
5 |
A1 |
533 |
606 |
1.137 |
168 |
633 |
|
|
6 |
A2 |
134 |
225 |
1.678 |
168 |
634 |
|
|
7 |
E |
3478 |
3042 |
0.875 |
168 |
635 |
|
|
8 |
E |
1617 |
1450 |
0.897 |
168 |
636 |
|
|
9 |
E |
1350 |
1230 |
0.911 |
168 |
637 |
|
|
10 |
E |
994 |
964 |
0.969 |
168 |
638 |
|
|
11 |
E |
479 |
540 |
1.128 |
168 |
639 |
|
|
12 |
E |
314 |
365 |
1.161 |
168 |
640 |
CH3CH2SH |
ethanethiol |
1 |
A |
3467 |
2980 |
0.860 |
169 |
641 |
|
|
2 |
A |
3456 |
2967 |
0.858 |
169 |
642 |
|
|
3 |
A |
3416 |
2930 |
0.858 |
169 |
643 |
|
|
4 |
A |
3303 |
2902 |
0.879 |
169 |
644 |
|
|
5 |
A |
3289 |
2875 |
0.874 |
169 |
645 |
|
|
6 |
A |
2944 |
2591 |
0.880 |
169 |
646 |
|
|
7 |
A |
1652 |
1462 |
0.885 |
169 |
647 |
|
|
8 |
A |
1642 |
1452 |
0.884 |
169 |
648 |
|
|
9 |
A |
1620 |
1437 |
0.887 |
169 |
649 |
|
|
10 |
A |
1529 |
1377 |
0.901 |
169 |
650 |
|
|
11 |
A |
1417 |
1269 |
0.896 |
169 |
651 |
|
|
12 |
A |
1371 |
1246 |
0.909 |
169 |
652 |
|
|
13 |
A |
1219 |
1093 |
0.897 |
169 |
653 |
|
|
14 |
A |
1137 |
1051 |
0.925 |
169 |
654 |
|
|
15 |
A |
1079 |
970 |
0.899 |
169 |
655 |
|
|
16 |
A |
986 |
867 |
0.880 |
169 |
656 |
|
|
17 |
A |
810 |
735 |
0.908 |
169 |
657 |
|
|
18 |
A |
779 |
658 |
0.845 |
169 |
658 |
|
|
19 |
A |
337 |
319 |
0.946 |
169 |
659 |
|
|
20 |
A |
251 |
|
|
169 |
660 |
|
|
21 |
A |
227 |
|
|
169 |
661 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3474 |
3061 |
0.881 |
170 |
662 |
|
|
2 |
A' |
3380 |
3010 |
0.891 |
170 |
663 |
|
|
3 |
A' |
3341 |
2965 |
0.888 |
170 |
664 |
|
|
4 |
A' |
3282 |
2905 |
0.885 |
170 |
665 |
|
|
5 |
A' |
2207 |
1970 |
0.893 |
170 |
666 |
|
|
6 |
A' |
1636 |
1453 |
0.888 |
170 |
667 |
|
|
7 |
A' |
1573 |
1437 |
0.913 |
170 |
668 |
|
|
8 |
A' |
1513 |
1389 |
0.918 |
170 |
669 |
|
|
9 |
A' |
1439 |
1330 |
0.924 |
170 |
670 |
|
|
10 |
A' |
1215 |
1132 |
0.932 |
170 |
671 |
|
|
11 |
A' |
1148 |
1074 |
0.936 |
170 |
672 |
|
|
12 |
A' |
940 |
876 |
0.932 |
170 |
673 |
|
|
13 |
A' |
916 |
859 |
0.938 |
170 |
674 |
|
|
14 |
A' |
578 |
555 |
0.959 |
170 |
675 |
|
|
15 |
A' |
206 |
210 |
1.019 |
170 |
676 |
|
|
16 |
A" |
3472 |
3061 |
0.882 |
170 |
677 |
|
|
17 |
A" |
3430 |
2965 |
0.864 |
170 |
678 |
|
|
18 |
A" |
1623 |
1453 |
0.895 |
170 |
679 |
|
|
19 |
A" |
1116 |
1110 |
0.995 |
170 |
680 |
|
|
20 |
A" |
1067 |
1011 |
0.947 |
170 |
681 |
|
|
21 |
A" |
940 |
842 |
0.896 |
170 |
682 |
|
|
22 |
A" |
555 |
523 |
0.942 |
170 |
683 |
|
|
23 |
A" |
338 |
322 |
0.953 |
170 |
684 |
C4H6 |
Cyclobutene |
1 |
A1 |
3477 |
3060 |
0.880 |
171 |
685 |
|
|
2 |
A1 |
3319 |
2935 |
0.884 |
171 |
686 |
|
|
3 |
A1 |
1759 |
1570 |
0.893 |
171 |
687 |
|
|
4 |
A1 |
1605 |
1450 |
0.903 |
171 |
688 |
|
|
5 |
A1 |
1312 |
1276 |
0.972 |
171 |
689 |
|
|
6 |
A1 |
1211 |
1186 |
0.979 |
171 |
690 |
|
|
7 |
A1 |
1065 |
1113 |
1.045 |
171 |
691 |
|
|
8 |
A1 |
1001 |
886 |
0.885 |
171 |
692 |
|
|
9 |
A2 |
3427 |
2955 |
0.862 |
171 |
693 |
|
|
10 |
A2 |
1234 |
1276 |
1.034 |
171 |
694 |
|
|
11 |
A2 |
1096 |
1081 |
0.986 |
171 |
695 |
|
|
12 |
A2 |
966 |
850 |
0.880 |
171 |
696 |
|
|
13 |
A2 |
332 |
325 |
0.980 |
171 |
697 |
|
|
14 |
B1 |
3433 |
2955 |
0.861 |
171 |
698 |
|
|
15 |
B1 |
1159 |
1074 |
0.927 |
171 |
699 |
|
|
16 |
B1 |
903 |
846 |
0.937 |
171 |
700 |
|
|
17 |
B1 |
690 |
635 |
0.920 |
171 |
701 |
|
|
18 |
B2 |
3431 |
3047 |
0.888 |
171 |
702 |
|
|
19 |
B2 |
3313 |
2916 |
0.880 |
171 |
703 |
|
|
20 |
B2 |
1593 |
1427 |
0.896 |
171 |
704 |
|
|
21 |
B2 |
1410 |
1294 |
0.918 |
171 |
705 |
|
|
22 |
B2 |
1304 |
1214 |
0.931 |
171 |
706 |
|
|
23 |
B2 |
981 |
888 |
0.906 |
171 |
707 |
|
|
24 |
B2 |
908 |
740 |
0.815 |
171 |
708 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3365 |
3010 |
0.894 |
172 |
709 |
|
|
2 |
A1 |
3360 |
3002 |
0.893 |
172 |
710 |
|
|
3 |
A1 |
1985 |
1743 |
0.878 |
172 |
711 |
|
|
4 |
A1 |
1575 |
1437 |
0.913 |
172 |
712 |
|
|
5 |
A1 |
1527 |
1410 |
0.923 |
172 |
713 |
|
|
6 |
A1 |
1201 |
1036 |
0.863 |
172 |
714 |
|
|
7 |
A1 |
1125 |
1002 |
0.891 |
172 |
715 |
|
|
8 |
A1 |
829 |
723 |
0.872 |
172 |
716 |
|
|
9 |
A2 |
3494 |
3051 |
0.873 |
172 |
717 |
|
|
10 |
A2 |
1230 |
1144 |
0.930 |
172 |
718 |
|
|
11 |
A2 |
1007 |
937 |
0.930 |
172 |
719 |
|
|
12 |
A2 |
656 |
616 |
0.940 |
172 |
720 |
|
|
13 |
B1 |
3500 |
3071 |
0.877 |
172 |
721 |
|
|
14 |
B1 |
1153 |
1072 |
0.930 |
172 |
722 |
|
|
15 |
B1 |
953 |
889 |
0.933 |
172 |
723 |
|
|
16 |
B1 |
799 |
748 |
0.936 |
172 |
724 |
|
|
17 |
B1 |
313 |
360 |
1.151 |
172 |
725 |
|
|
18 |
B2 |
3512 |
3086 |
0.879 |
172 |
726 |
|
|
19 |
B2 |
3354 |
2999 |
0.894 |
172 |
727 |
|
|
20 |
B2 |
1542 |
1353 |
0.877 |
172 |
728 |
|
|
21 |
B2 |
1234 |
1174 |
0.951 |
172 |
729 |
|
|
22 |
B2 |
1168 |
1125 |
0.963 |
172 |
730 |
|
|
23 |
B2 |
972 |
792 |
0.815 |
172 |
731 |
|
|
24 |
B2 |
362 |
290 |
0.801 |
172 |
732 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3545 |
3120 |
0.880 |
173 |
733 |
|
|
2 |
A' |
3419 |
3052 |
0.893 |
173 |
734 |
|
|
3 |
A' |
3393 |
3044 |
0.897 |
173 |
735 |
|
|
4 |
A' |
2335 |
2264 |
0.970 |
173 |
736 |
|
|
5 |
A' |
1579 |
1468 |
0.930 |
173 |
737 |
|
|
6 |
A' |
1436 |
1344 |
0.936 |
173 |
738 |
|
|
7 |
A' |
1285 |
1195 |
0.930 |
173 |
739 |
|
|
8 |
A' |
1174 |
1125 |
0.958 |
173 |
740 |
|
|
9 |
A' |
1166 |
1049 |
0.899 |
173 |
741 |
|
|
10 |
A' |
1039 |
941 |
0.906 |
173 |
742 |
|
|
11 |
A' |
836 |
808 |
0.966 |
173 |
743 |
|
|
12 |
A' |
805 |
736 |
0.914 |
173 |
744 |
|
|
13 |
A' |
526 |
527 |
1.002 |
173 |
745 |
|
|
14 |
A' |
208 |
222 |
1.065 |
173 |
746 |
|
|
15 |
A" |
3539 |
3094 |
0.874 |
173 |
747 |
|
|
16 |
A" |
3386 |
3040 |
0.898 |
173 |
748 |
|
|
17 |
A" |
1541 |
1442 |
0.936 |
173 |
749 |
|
|
18 |
A" |
1252 |
1180 |
0.943 |
173 |
750 |
|
|
19 |
A" |
1178 |
1070 |
0.908 |
173 |
751 |
|
|
20 |
A" |
1161 |
1088 |
0.937 |
173 |
752 |
|
|
21 |
A" |
1013 |
880 |
0.869 |
173 |
753 |
|
|
22 |
A" |
873 |
821 |
0.940 |
173 |
754 |
|
|
23 |
A" |
543 |
543 |
1.001 |
173 |
755 |
|
|
24 |
A" |
208 |
222 |
1.067 |
173 |
756 |
C3H6O |
Oxetane |
1 |
A1 |
3350 |
2959 |
0.883 |
174 |
757 |
|
|
2 |
A1 |
3238 |
2930 |
0.905 |
174 |
758 |
|
|
3 |
A1 |
1641 |
1473 |
0.898 |
174 |
759 |
|
|
4 |
A1 |
1602 |
1461 |
0.912 |
174 |
760 |
|
|
5 |
A1 |
1429 |
1342 |
0.939 |
174 |
761 |
|
|
6 |
A1 |
1127 |
1134 |
1.006 |
174 |
762 |
|
|
7 |
A1 |
1003 |
1018 |
1.015 |
174 |
763 |
|
|
8 |
A1 |
830 |
908 |
1.094 |
174 |
764 |
|
|
9 |
A2 |
3332 |
3000 |
0.900 |
174 |
765 |
|
|
10 |
A2 |
1282 |
1283 |
1.001 |
174 |
766 |
|
|
11 |
A2 |
1163 |
1185 |
1.019 |
174 |
767 |
|
|
12 |
A2 |
875 |
986 |
1.127 |
174 |
768 |
|
|
13 |
B1 |
3475 |
3007 |
0.865 |
174 |
769 |
|
|
14 |
B1 |
3335 |
2940 |
0.882 |
174 |
770 |
|
|
15 |
B1 |
1238 |
1225 |
0.989 |
174 |
771 |
|
|
16 |
B1 |
1127 |
1142 |
1.014 |
174 |
772 |
|
|
17 |
B1 |
799 |
836 |
1.046 |
174 |
773 |
|
|
18 |
B1 |
97 |
90 |
0.927 |
174 |
774 |
|
|
19 |
B2 |
3229 |
2966 |
0.919 |
174 |
775 |
|
|
20 |
B2 |
1616 |
1508 |
0.933 |
174 |
776 |
|
|
21 |
B2 |
1353 |
1458 |
1.078 |
174 |
777 |
|
|
22 |
B2 |
1333 |
1363 |
1.022 |
174 |
778 |
|
|
23 |
B2 |
1152 |
1228 |
1.066 |
174 |
779 |
|
|
24 |
B2 |
1043 |
936 |
0.897 |
174 |
780 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3449 |
2990 |
0.867 |
175 |
781 |
|
|
2 |
A |
3425 |
2983 |
0.871 |
175 |
782 |
|
|
3 |
A |
3263 |
2913 |
0.893 |
175 |
783 |
|
|
4 |
A |
1640 |
1426 |
0.869 |
175 |
784 |
|
|
5 |
A |
1626 |
1419 |
0.873 |
175 |
785 |
|
|
6 |
A |
1491 |
1311 |
0.879 |
175 |
786 |
|
|
7 |
A |
1046 |
955 |
0.913 |
175 |
787 |
|
|
8 |
A |
1040 |
949 |
0.912 |
175 |
788 |
|
|
9 |
A |
814 |
694 |
0.852 |
175 |
789 |
|
|
10 |
A |
597 |
509 |
0.853 |
175 |
790 |
|
|
11 |
A |
235 |
240 |
1.021 |
175 |
791 |
|
|
12 |
A |
148 |
134 |
0.907 |
175 |
792 |
|
|
13 |
A |
91 |
117 |
1.291 |
175 |
793 |
|
|
14 |
B |
3450 |
2990 |
0.867 |
175 |
794 |
|
|
15 |
B |
3428 |
2983 |
0.870 |
175 |
795 |
|
|
16 |
B |
3264 |
2915 |
0.893 |
175 |
796 |
|
|
17 |
B |
1642 |
1430 |
0.871 |
175 |
797 |
|
|
18 |
B |
1621 |
1415 |
0.873 |
175 |
798 |
|
|
19 |
B |
1480 |
1303 |
0.880 |
175 |
799 |
|
|
20 |
B |
1047 |
955 |
0.912 |
175 |
800 |
|
|
21 |
B |
1037 |
949 |
0.915 |
175 |
801 |
|
|
22 |
B |
826 |
691 |
0.837 |
175 |
802 |
|
|
23 |
B |
280 |
274 |
0.980 |
175 |
803 |
|
|
24 |
B |
150 |
134 |
0.893 |
175 |
804 |
C3H8 |
Propane |
1 |
A1 |
3469 |
2977 |
0.858 |
176 |
805 |
|
|
2 |
A1 |
3326 |
2962 |
0.890 |
176 |
806 |
|
|
3 |
A1 |
3295 |
2887 |
0.876 |
176 |
807 |
|
|
4 |
A1 |
1665 |
1476 |
0.887 |
176 |
808 |
|
|
5 |
A1 |
1630 |
1462 |
0.897 |
176 |
809 |
|
|
6 |
A1 |
1543 |
1392 |
0.902 |
176 |
810 |
|
|
7 |
A1 |
1259 |
1158 |
0.920 |
176 |
811 |
|
|
8 |
A1 |
961 |
869 |
0.904 |
176 |
812 |
|
|
9 |
A1 |
373 |
369 |
0.988 |
176 |
813 |
|
|
10 |
A2 |
3465 |
2967 |
0.856 |
176 |
814 |
|
|
11 |
A2 |
1644 |
1451 |
0.883 |
176 |
815 |
|
|
12 |
A2 |
1394 |
1278 |
0.917 |
176 |
816 |
|
|
13 |
A2 |
979 |
940 |
0.960 |
176 |
817 |
|
|
14 |
A2 |
217 |
216 |
0.996 |
176 |
818 |
|
|
15 |
B1 |
3469 |
2973 |
0.857 |
176 |
819 |
|
|
16 |
B1 |
3427 |
2968 |
0.866 |
176 |
820 |
|
|
17 |
B1 |
1651 |
1472 |
0.892 |
176 |
821 |
|
|
18 |
B1 |
1302 |
1192 |
0.915 |
176 |
822 |
|
|
19 |
B1 |
800 |
748 |
0.935 |
176 |
823 |
|
|
20 |
B1 |
257 |
268 |
1.044 |
176 |
824 |
|
|
21 |
B2 |
3467 |
2968 |
0.856 |
176 |
825 |
|
|
22 |
B2 |
3297 |
2887 |
0.876 |
176 |
826 |
|
|
23 |
B2 |
1653 |
1464 |
0.886 |
176 |
827 |
|
|
24 |
B2 |
1530 |
1378 |
0.900 |
176 |
828 |
|
|
25 |
B2 |
1470 |
1338 |
0.910 |
176 |
829 |
|
|
26 |
B2 |
1160 |
1054 |
0.909 |
176 |
830 |
|
|
27 |
B2 |
1002 |
922 |
0.920 |
176 |
831 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3492 |
3091 |
0.885 |
177 |
832 |
|
|
2 |
A1 |
3459 |
3075 |
0.889 |
177 |
833 |
|
|
3 |
A1 |
3287 |
2886 |
0.878 |
177 |
834 |
|
|
4 |
A1 |
1668 |
1500 |
0.899 |
177 |
835 |
|
|
5 |
A1 |
1544 |
1378 |
0.893 |
177 |
836 |
|
|
6 |
A1 |
1479 |
1365 |
0.923 |
177 |
837 |
|
|
7 |
A1 |
1169 |
1106 |
0.946 |
177 |
838 |
|
|
8 |
A1 |
1082 |
994 |
0.919 |
177 |
839 |
|
|
9 |
A1 |
990 |
915 |
0.924 |
177 |
840 |
|
|
10 |
A1 |
840 |
802 |
0.955 |
177 |
841 |
|
|
11 |
A2 |
1177 |
1100 |
0.935 |
177 |
842 |
|
|
12 |
A2 |
989 |
941 |
0.952 |
177 |
843 |
|
|
13 |
A2 |
744 |
700 |
0.940 |
177 |
844 |
|
|
14 |
A2 |
542 |
516 |
0.951 |
177 |
845 |
|
|
15 |
B1 |
3377 |
2900 |
0.859 |
177 |
846 |
|
|
16 |
B1 |
990 |
925 |
0.935 |
177 |
847 |
|
|
17 |
B1 |
958 |
891 |
0.930 |
177 |
848 |
|
|
18 |
B1 |
703 |
664 |
0.944 |
177 |
849 |
|
|
19 |
B1 |
359 |
350 |
0.974 |
177 |
850 |
|
|
20 |
B2 |
3481 |
3105 |
0.892 |
177 |
851 |
|
|
21 |
B2 |
3450 |
3043 |
0.882 |
177 |
852 |
|
|
22 |
B2 |
1758 |
1580 |
0.899 |
177 |
853 |
|
|
23 |
B2 |
1388 |
1292 |
0.931 |
177 |
854 |
|
|
24 |
B2 |
1328 |
1239 |
0.933 |
177 |
855 |
|
|
25 |
B2 |
1147 |
1090 |
0.950 |
177 |
856 |
|
|
26 |
B2 |
1043 |
959 |
0.920 |
177 |
857 |
|
|
27 |
B2 |
843 |
805 |
0.955 |
177 |
858 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3469 |
3058 |
0.881 |
178 |
859 |
|
|
2 |
A' |
3431 |
2995 |
0.873 |
178 |
860 |
|
|
3 |
A' |
3392 |
2963 |
0.873 |
178 |
861 |
|
|
4 |
A' |
3277 |
2938 |
0.896 |
178 |
862 |
|
|
5 |
A' |
3100 |
2805 |
0.905 |
178 |
863 |
|
|
6 |
A' |
1802 |
1720 |
0.954 |
178 |
864 |
|
|
7 |
A' |
1788 |
1649 |
0.922 |
178 |
865 |
|
|
8 |
A' |
1620 |
1455 |
0.898 |
178 |
866 |
|
|
9 |
A' |
1515 |
1391 |
0.918 |
178 |
867 |
|
|
10 |
A' |
1446 |
1375 |
0.951 |
178 |
868 |
|
|
11 |
A' |
1368 |
1304 |
0.953 |
178 |
869 |
|
|
12 |
A' |
1321 |
1253 |
0.948 |
178 |
870 |
|
|
13 |
A' |
1197 |
1147 |
0.958 |
178 |
871 |
|
|
14 |
A' |
1132 |
1074 |
0.948 |
178 |
872 |
|
|
15 |
A' |
992 |
973 |
0.981 |
178 |
873 |
|
|
16 |
A' |
527 |
539 |
1.022 |
178 |
874 |
|
|
17 |
A' |
458 |
464 |
1.012 |
178 |
875 |
|
|
18 |
A' |
193 |
230 |
1.192 |
178 |
876 |
|
|
19 |
A" |
3420 |
2980 |
0.871 |
178 |
877 |
|
|
20 |
A" |
1616 |
1455 |
0.901 |
178 |
878 |
|
|
21 |
A" |
1118 |
1042 |
0.932 |
178 |
879 |
|
|
22 |
A" |
1061 |
973 |
0.917 |
178 |
880 |
|
|
23 |
A" |
970 |
928 |
0.957 |
178 |
881 |
|
|
24 |
A" |
794 |
780 |
0.983 |
178 |
882 |
|
|
25 |
A" |
287 |
295 |
1.030 |
178 |
883 |
|
|
26 |
A" |
183 |
173 |
0.943 |
178 |
884 |
|
|
27 |
A" |
123 |
122 |
0.996 |
178 |
885 |
C2H5NO3 |
Nitric acid, ethyl ester |
1 |
A' |
3472 |
2977 |
0.857 |
179 |
886 |
|
|
2 |
A' |
3304 |
2949 |
0.892 |
179 |
887 |
|
|
3 |
A' |
3248 |
2940 |
0.905 |
179 |
888 |
|
|
4 |
A' |
1721 |
1660 |
0.965 |
179 |
889 |
|
|
5 |
A' |
1641 |
1519 |
0.926 |
179 |
890 |
|
|
6 |
A' |
1608 |
1460 |
0.908 |
179 |
891 |
|
|
7 |
A' |
1519 |
1392 |
0.916 |
179 |
892 |
|
|
8 |
A' |
1395 |
1369 |
0.982 |
179 |
893 |
|
|
9 |
A' |
1295 |
1288 |
0.994 |
179 |
894 |
|
|
10 |
A' |
1208 |
1270 |
1.051 |
179 |
895 |
|
|
11 |
A' |
1124 |
1122 |
0.998 |
179 |
896 |
|
|
12 |
A' |
982 |
1025 |
1.043 |
179 |
897 |
|
|
13 |
A' |
884 |
851 |
0.963 |
179 |
898 |
|
|
14 |
A' |
605 |
702 |
1.160 |
179 |
899 |
|
|
15 |
A' |
472 |
566 |
1.199 |
179 |
900 |
|
|
16 |
A' |
348 |
378 |
1.085 |
179 |
901 |
|
|
17 |
A' |
207 |
242 |
1.168 |
179 |
902 |
|
|
18 |
A" |
3477 |
2990 |
0.860 |
179 |
903 |
|
|
19 |
A" |
3343 |
2986 |
0.893 |
179 |
904 |
|
|
20 |
A" |
1626 |
1444 |
0.888 |
179 |
905 |
|
|
21 |
A" |
1298 |
1298 |
1.000 |
179 |
906 |
|
|
22 |
A" |
1188 |
1161 |
0.977 |
179 |
907 |
|
|
23 |
A" |
841 |
903 |
1.073 |
179 |
908 |
|
|
24 |
A" |
563 |
765 |
1.360 |
179 |
909 |
|
|
25 |
A" |
219 |
203 |
0.928 |
179 |
910 |
|
|
26 |
A" |
136 |
120 |
0.883 |
179 |
911 |
|
|
27 |
A" |
39i |
112 |
-2.883 |
179 |
912 |
C6H6 |
Fulvene |
1 |
A1 |
3498 |
3088 |
0.883 |
180 |
913 |
|
|
2 |
A1 |
3465 |
3051 |
0.880 |
180 |
914 |
|
|
3 |
A1 |
3369 |
3008 |
0.893 |
180 |
915 |
|
|
4 |
A1 |
1787 |
1632 |
0.913 |
180 |
916 |
|
|
5 |
A1 |
1640 |
1486 |
0.906 |
180 |
917 |
|
|
6 |
A1 |
1522 |
1449 |
0.952 |
180 |
918 |
|
|
7 |
A1 |
1433 |
1342 |
0.937 |
180 |
919 |
|
|
8 |
A1 |
1136 |
1082 |
0.952 |
180 |
920 |
|
|
9 |
A1 |
1067 |
986 |
0.924 |
180 |
921 |
|
|
10 |
A1 |
950 |
894 |
0.941 |
180 |
922 |
|
|
11 |
A1 |
695 |
641 |
0.922 |
180 |
923 |
|
|
12 |
A2 |
973 |
|
|
180 |
924 |
|
|
13 |
A2 |
812 |
|
|
180 |
925 |
|
|
14 |
A2 |
729 |
666 |
0.914 |
180 |
926 |
|
|
15 |
A2 |
508 |
494 |
0.972 |
180 |
927 |
|
|
16 |
B1 |
972 |
926 |
0.953 |
180 |
928 |
|
|
17 |
B1 |
965 |
907 |
0.940 |
180 |
929 |
|
|
18 |
B1 |
809 |
769 |
0.951 |
180 |
930 |
|
|
19 |
B1 |
644 |
613 |
0.951 |
180 |
931 |
|
|
20 |
B1 |
199 |
|
|
180 |
932 |
|
|
21 |
B2 |
3526 |
|
|
180 |
933 |
|
|
22 |
B2 |
3489 |
3104 |
0.890 |
180 |
934 |
|
|
23 |
B2 |
3455 |
3075 |
0.890 |
180 |
935 |
|
|
24 |
B2 |
1721 |
1550 |
0.900 |
180 |
936 |
|
|
25 |
B2 |
1402 |
1314 |
0.937 |
180 |
937 |
|
|
26 |
B2 |
1297 |
1232 |
0.950 |
180 |
938 |
|
|
27 |
B2 |
1138 |
1077 |
0.947 |
180 |
939 |
|
|
28 |
B2 |
1001 |
952 |
0.951 |
180 |
940 |
|
|
29 |
B2 |
829 |
795 |
0.959 |
180 |
941 |
|
|
30 |
B2 |
337 |
350 |
1.039 |
180 |
942 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
1 |
A' |
3466 |
2991 |
0.863 |
181 |
943 |
|
|
2 |
A' |
3456 |
2957 |
0.856 |
181 |
944 |
|
|
3 |
A' |
3299 |
2920 |
0.885 |
181 |
945 |
|
|
4 |
A' |
3278 |
2871 |
0.876 |
181 |
946 |
|
|
5 |
A' |
3260 |
2830 |
0.868 |
181 |
947 |
|
|
6 |
A' |
1655 |
1461 |
0.883 |
181 |
948 |
|
|
7 |
A' |
1651 |
1435 |
0.869 |
181 |
949 |
|
|
8 |
A' |
1635 |
1427 |
0.873 |
181 |
950 |
|
|
9 |
A' |
1532 |
1377 |
0.899 |
181 |
951 |
|
|
10 |
A' |
1503 |
1321 |
0.879 |
181 |
952 |
|
|
11 |
A' |
1398 |
1262 |
0.903 |
181 |
953 |
|
|
12 |
A' |
1168 |
1060 |
0.907 |
181 |
954 |
|
|
13 |
A' |
1096 |
|
|
181 |
955 |
|
|
14 |
A' |
1050 |
968 |
0.922 |
181 |
956 |
|
|
15 |
A' |
861 |
727 |
0.845 |
181 |
957 |
|
|
16 |
A' |
803 |
654 |
0.814 |
181 |
958 |
|
|
17 |
A' |
365 |
353 |
0.968 |
181 |
959 |
|
|
18 |
A' |
215 |
227 |
1.058 |
181 |
960 |
|
|
19 |
A" |
3468 |
2991 |
0.862 |
181 |
961 |
|
|
20 |
A" |
3411 |
2957 |
0.867 |
181 |
962 |
|
|
21 |
A" |
3380 |
2920 |
0.864 |
181 |
963 |
|
|
22 |
A" |
1642 |
1449 |
0.882 |
181 |
964 |
|
|
23 |
A" |
1628 |
1435 |
0.881 |
181 |
965 |
|
|
24 |
A" |
1343 |
1239 |
0.923 |
181 |
966 |
|
|
25 |
A" |
1123 |
|
|
181 |
967 |
|
|
26 |
A" |
1053 |
954 |
0.906 |
181 |
968 |
|
|
27 |
A" |
840 |
757 |
0.901 |
181 |
969 |
|
|
28 |
A" |
226 |
|
|
181 |
970 |
|
|
29 |
A" |
178 |
|
|
181 |
971 |
|
|
30 |
A" |
75 |
|
|
181 |
972 |
C5H6S |
Thiophene, 3-methyl- |
1 |
A' |
3493 |
3111 |
0.891 |
182 |
973 |
|
|
2 |
A' |
3483 |
3104 |
0.891 |
182 |
974 |
|
|
3 |
A' |
3467 |
3062 |
0.883 |
182 |
975 |
|
|
4 |
A' |
3461 |
2971 |
0.858 |
182 |
976 |
|
|
5 |
A' |
3284 |
2923 |
0.890 |
182 |
977 |
|
|
6 |
A' |
1717 |
1543 |
0.898 |
182 |
978 |
|
|
7 |
A' |
1637 |
1447 |
0.884 |
182 |
979 |
|
|
8 |
A' |
1593 |
1407 |
0.883 |
182 |
980 |
|
|
9 |
A' |
1525 |
1385 |
0.908 |
182 |
981 |
|
|
10 |
A' |
1506 |
1373 |
0.912 |
182 |
982 |
|
|
11 |
A' |
1316 |
1234 |
0.937 |
182 |
983 |
|
|
12 |
A' |
1254 |
1154 |
0.920 |
182 |
984 |
|
|
13 |
A' |
1147 |
1080 |
0.942 |
182 |
985 |
|
|
14 |
A' |
1072 |
993 |
0.927 |
182 |
986 |
|
|
15 |
A' |
999 |
931 |
0.932 |
182 |
987 |
|
|
16 |
A' |
961 |
857 |
0.892 |
182 |
988 |
|
|
17 |
A' |
922 |
830 |
0.901 |
182 |
989 |
|
|
18 |
A' |
712 |
659 |
0.926 |
182 |
990 |
|
|
19 |
A' |
579 |
542 |
0.936 |
182 |
991 |
|
|
20 |
A' |
317 |
329 |
1.037 |
182 |
992 |
|
|
21 |
A" |
3434 |
2945 |
0.858 |
182 |
993 |
|
|
22 |
A" |
1628 |
1452 |
0.892 |
182 |
994 |
|
|
23 |
A" |
1122 |
1036 |
0.924 |
182 |
995 |
|
|
24 |
A" |
939 |
874 |
0.931 |
182 |
996 |
|
|
25 |
A" |
809 |
762 |
0.942 |
182 |
997 |
|
|
26 |
A" |
747 |
685 |
0.917 |
182 |
998 |
|
|
27 |
A" |
625 |
594 |
0.951 |
182 |
999 |
|
|
28 |
A" |
472 |
464 |
0.984 |
182 |
1000 |
|
|
29 |
A" |
241 |
238 |
0.987 |
182 |
1001 |
|
|
30 |
A" |
92 |
|
|
182 |
1002 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3531 |
3088 |
0.875 |
183 |
1003 |
|
|
2 |
A |
3481 |
3017 |
0.867 |
183 |
1004 |
|
|
3 |
A |
3465 |
3011 |
0.869 |
183 |
1005 |
|
|
4 |
A |
3437 |
2990 |
0.870 |
183 |
1006 |
|
|
5 |
A |
3375 |
2974 |
0.881 |
183 |
1007 |
|
|
6 |
A |
3364 |
2967 |
0.882 |
183 |
1008 |
|
|
7 |
A |
3299 |
2927 |
0.887 |
183 |
1009 |
|
|
8 |
A |
1814 |
1645 |
0.907 |
183 |
1010 |
|
|
9 |
A |
1625 |
1452 |
0.894 |
183 |
1011 |
|
|
10 |
A |
1617 |
1447 |
0.895 |
183 |
1012 |
|
|
11 |
A |
1528 |
1424 |
0.932 |
183 |
1013 |
|
|
12 |
A |
1511 |
1375 |
0.910 |
183 |
1014 |
|
|
13 |
A |
1397 |
1297 |
0.928 |
183 |
1015 |
|
|
14 |
A |
1360 |
1283 |
0.944 |
183 |
1016 |
|
|
15 |
A |
1301 |
1233 |
0.948 |
183 |
1017 |
|
|
16 |
A |
1251 |
1174 |
0.938 |
183 |
1018 |
|
|
17 |
A |
1178 |
1090 |
0.925 |
183 |
1019 |
|
|
18 |
A |
1101 |
1025 |
0.931 |
183 |
1020 |
|
|
19 |
A |
1071 |
988 |
0.922 |
183 |
1021 |
|
|
20 |
A |
1031 |
966 |
0.937 |
183 |
1022 |
|
|
21 |
A |
984 |
931 |
0.946 |
183 |
1023 |
|
|
22 |
A |
928 |
864 |
0.931 |
183 |
1024 |
|
|
23 |
A |
776 |
708 |
0.912 |
183 |
1025 |
|
|
24 |
A |
674 |
625 |
0.927 |
183 |
1026 |
|
|
25 |
A |
478 |
456 |
0.955 |
183 |
1027 |
|
|
26 |
A |
308 |
319 |
1.037 |
183 |
1028 |
|
|
27 |
A |
296 |
305 |
1.032 |
183 |
1029 |
|
|
28 |
A |
263 |
283 |
1.076 |
183 |
1030 |
|
|
29 |
A |
227 |
245 |
1.078 |
183 |
1031 |
|
|
30 |
A |
98 |
92 |
0.941 |
183 |
1032 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3475 |
2987 |
0.860 |
184 |
1033 |
|
|
2 |
A1 |
3336 |
2941 |
0.882 |
184 |
1034 |
|
|
3 |
A1 |
3281 |
2916 |
0.889 |
184 |
1035 |
|
|
4 |
A1 |
2207 |
1996 |
0.904 |
184 |
1036 |
|
|
5 |
A1 |
1644 |
1470 |
0.894 |
184 |
1037 |
|
|
6 |
A1 |
1577 |
1438 |
0.912 |
184 |
1038 |
|
|
7 |
A1 |
1518 |
1369 |
0.902 |
184 |
1039 |
|
|
8 |
A1 |
1406 |
1286 |
0.915 |
184 |
1040 |
|
|
9 |
A1 |
1075 |
973 |
0.905 |
184 |
1041 |
|
|
10 |
A1 |
783 |
726 |
0.928 |
184 |
1042 |
|
|
11 |
A1 |
333 |
349 |
1.047 |
184 |
1043 |
|
|
12 |
A2 |
3430 |
2941 |
0.857 |
184 |
1044 |
|
|
13 |
A2 |
1618 |
1470 |
0.908 |
184 |
1045 |
|
|
14 |
A2 |
1063 |
985 |
0.927 |
184 |
1046 |
|
|
15 |
A2 |
646 |
617 |
0.955 |
184 |
1047 |
|
|
17 |
B1 |
3466 |
3051 |
0.880 |
184 |
1048 |
|
|
18 |
B1 |
3430 |
2941 |
0.857 |
184 |
1049 |
|
|
19 |
B1 |
1624 |
1470 |
0.905 |
184 |
1050 |
|
|
20 |
B1 |
1159 |
1068 |
0.922 |
184 |
1051 |
|
|
21 |
B1 |
1070 |
1004 |
0.938 |
184 |
1052 |
|
|
22 |
B1 |
452 |
443 |
0.980 |
184 |
1053 |
|
|
23 |
B1 |
256 |
187 |
0.729 |
184 |
1054 |
|
|
25 |
B2 |
3474 |
2941 |
0.847 |
184 |
1055 |
|
|
26 |
B2 |
3280 |
2916 |
0.889 |
184 |
1056 |
|
|
27 |
B2 |
1628 |
1470 |
0.903 |
184 |
1057 |
|
|
28 |
B2 |
1504 |
1369 |
0.910 |
184 |
1058 |
|
|
29 |
B2 |
1306 |
1191 |
0.912 |
184 |
1059 |
|
|
30 |
B2 |
1031 |
968 |
0.939 |
184 |
1060 |
|
|
31 |
B2 |
918 |
848 |
0.924 |
184 |
1061 |
|
|
32 |
B2 |
607 |
554 |
0.913 |
184 |
1062 |
|
|
33 |
B2 |
177 |
187 |
1.057 |
184 |
1063 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
434 |
1442 |
3.320 |
185 |
1064 |
|
|
|
Ag |
919 |
1151 |
1.252 |
185 |
1065 |
|
|
|
Au |
1371 |
1257 |
0.917 |
185 |
1066 |
|
|
|
Bg |
1648 |
1180 |
0.716 |
185 |
1067 |
|
|
|
Bu |
3296 |
2870 |
0.871 |
185 |
1068 |
|
|
|
Bu |
3328 |
1461 |
0.439 |
185 |
1069 |
|
|
|
Bu |
3468 |
271 |
0.078 |
185 |
1070 |
C6H8 |
(E)-hexa-1,3,5-triene |
1 |
Ag |
3536 |
3085 |
0.872 |
186 |
1071 |
|
|
2 |
Ag |
3428 |
3054 |
0.891 |
186 |
1072 |
|
|
3 |
Ag |
3420 |
3054 |
0.893 |
186 |
1073 |
|
|
4 |
Ag |
3378 |
2989 |
0.885 |
186 |
1074 |
|
|
5 |
Ag |
1767 |
1627 |
0.921 |
186 |
1075 |
|
|
6 |
Ag |
1739 |
1579 |
0.908 |
186 |
1076 |
|
|
7 |
Ag |
1508 |
1400 |
0.928 |
186 |
1077 |
|
|
8 |
Ag |
1367 |
1288 |
0.943 |
186 |
1078 |
|
|
9 |
Ag |
1362 |
1220 |
0.896 |
186 |
1079 |
|
|
10 |
Ag |
1265 |
1192 |
0.942 |
186 |
1080 |
|
|
11 |
Ag |
980 |
934 |
0.953 |
186 |
1081 |
|
|
12 |
Ag |
452 |
444 |
0.983 |
186 |
1082 |
|
|
13 |
Ag |
347 |
355 |
1.024 |
186 |
1083 |
|
|
14 |
Au |
1105 |
1013 |
0.917 |
186 |
1084 |
|
|
15 |
Au |
1022 |
941 |
0.921 |
186 |
1085 |
|
|
16 |
Au |
948 |
901 |
0.950 |
186 |
1086 |
|
|
17 |
Au |
728 |
683 |
0.938 |
186 |
1087 |
|
|
18 |
Au |
259 |
|
|
186 |
1088 |
|
|
19 |
Au |
99 |
90 |
0.912 |
186 |
1089 |
|
|
20 |
Bg |
1080 |
988 |
0.915 |
186 |
1090 |
|
|
21 |
Bg |
950 |
928 |
0.977 |
186 |
1091 |
|
|
22 |
Bg |
912 |
872 |
0.956 |
186 |
1092 |
|
|
23 |
Bg |
633 |
|
|
186 |
1093 |
|
|
24 |
Bg |
226 |
217 |
0.960 |
186 |
1094 |
|
|
25 |
Bu |
3536 |
3099 |
0.876 |
186 |
1095 |
|
|
26 |
Bu |
3426 |
3045 |
0.889 |
186 |
1096 |
|
|
27 |
Bu |
3420 |
3019 |
0.883 |
186 |
1097 |
|
|
28 |
Bu |
3376 |
2953 |
0.875 |
186 |
1098 |
|
|
29 |
Bu |
1787 |
1629 |
0.912 |
186 |
1099 |
|
|
30 |
Bu |
1540 |
1432 |
0.930 |
186 |
1100 |
|
|
31 |
Bu |
1372 |
1295 |
0.944 |
186 |
1101 |
|
|
32 |
Bu |
1317 |
1255 |
0.953 |
186 |
1102 |
|
|
33 |
Bu |
1220 |
1186 |
0.973 |
186 |
1103 |
|
|
34 |
Bu |
1020 |
963 |
0.944 |
186 |
1104 |
|
|
35 |
Bu |
538 |
590 |
1.096 |
186 |
1105 |
|
|
36 |
Bu |
144 |
170 |
1.179 |
186 |
1106 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3471 |
3345 |
0.964 |
187 |
1107 |
|
|
2 |
A' |
3461 |
2975 |
0.860 |
187 |
1108 |
|
|
3 |
A' |
3438 |
2950 |
0.858 |
187 |
1109 |
|
|
4 |
A' |
3346 |
2918 |
0.872 |
187 |
1110 |
|
|
5 |
A' |
3339 |
2905 |
0.870 |
187 |
1111 |
|
|
6 |
A' |
3253 |
2887 |
0.887 |
187 |
1112 |
|
|
7 |
A' |
1798 |
1614 |
0.898 |
187 |
1113 |
|
|
8 |
A' |
1614 |
1467 |
0.909 |
187 |
1114 |
|
|
9 |
A' |
1592 |
1443 |
0.906 |
187 |
1115 |
|
|
10 |
A' |
1458 |
1390 |
0.953 |
187 |
1116 |
|
|
11 |
A' |
1384 |
1291 |
0.933 |
187 |
1117 |
|
|
12 |
A' |
1299 |
1237 |
0.953 |
187 |
1118 |
|
|
13 |
A' |
1207 |
1137 |
0.942 |
187 |
1119 |
|
|
14 |
A' |
1179 |
1120 |
0.950 |
187 |
1120 |
|
|
15 |
A' |
1065 |
1050 |
0.986 |
187 |
1121 |
|
|
16 |
A' |
953 |
965 |
1.013 |
187 |
1122 |
|
|
17 |
A' |
886 |
788 |
0.890 |
187 |
1123 |
|
|
18 |
A' |
820 |
752 |
0.917 |
187 |
1124 |
|
|
19 |
A' |
743 |
606 |
0.815 |
187 |
1125 |
|
|
20 |
A' |
385 |
448 |
1.163 |
187 |
1126 |
|
|
21 |
A' |
31 |
174 |
5.672 |
187 |
1127 |
|
|
22 |
A" |
3627 |
3411 |
0.940 |
187 |
1128 |
|
|
23 |
A" |
3464 |
2970 |
0.857 |
187 |
1129 |
|
|
24 |
A" |
3338 |
2957 |
0.886 |
187 |
1130 |
|
|
25 |
A" |
1584 |
1452 |
0.917 |
187 |
1131 |
|
|
26 |
A" |
1453 |
1213 |
0.835 |
187 |
1132 |
|
|
27 |
A" |
1364 |
1185 |
0.869 |
187 |
1133 |
|
|
28 |
A" |
1339 |
1168 |
0.873 |
187 |
1134 |
|
|
29 |
A" |
1312 |
1036 |
0.789 |
187 |
1135 |
|
|
30 |
A" |
1258 |
|
|
187 |
1136 |
|
|
31 |
A" |
1102 |
925 |
0.840 |
187 |
1137 |
|
|
32 |
A" |
1069 |
912 |
0.853 |
187 |
1138 |
|
|
33 |
A" |
1017 |
883 |
0.868 |
187 |
1139 |
|
|
34 |
A" |
816 |
788 |
0.966 |
187 |
1140 |
|
|
35 |
A" |
371 |
354 |
0.954 |
187 |
1141 |
|
|
36 |
A" |
245 |
240 |
0.981 |
187 |
1142 |
CH3C(SCH3)HCH3 |
Propane, 2-(methylthio)- |
1 |
A |
3468 |
2971 |
0.857 |
188 |
1143 |
|
|
2 |
A |
3466 |
2971 |
0.857 |
188 |
1144 |
|
|
3 |
A |
3462 |
2971 |
0.858 |
188 |
1145 |
|
|
4 |
A |
3456 |
2971 |
0.860 |
188 |
1146 |
|
|
5 |
A |
3453 |
2971 |
0.860 |
188 |
1147 |
|
|
6 |
A |
3410 |
2971 |
0.871 |
188 |
1148 |
|
|
7 |
A |
3312 |
2918 |
0.881 |
188 |
1149 |
|
|
8 |
A |
3294 |
2899 |
0.880 |
188 |
1150 |
|
|
9 |
A |
3289 |
2867 |
0.872 |
188 |
1151 |
|
|
10 |
A |
3259 |
2867 |
0.880 |
188 |
1152 |
|
|
11 |
A |
1651 |
1448 |
0.877 |
188 |
1153 |
|
|
12 |
A |
1649 |
1448 |
0.878 |
188 |
1154 |
|
|
13 |
A |
1645 |
1448 |
0.880 |
188 |
1155 |
|
|
14 |
A |
1639 |
1448 |
0.884 |
188 |
1156 |
|
|
15 |
A |
1637 |
1448 |
0.885 |
188 |
1157 |
|
|
16 |
A |
1626 |
1448 |
0.891 |
188 |
1158 |
|
|
17 |
A |
1532 |
1386 |
0.904 |
188 |
1159 |
|
|
18 |
A |
1517 |
1364 |
0.899 |
188 |
1160 |
|
|
19 |
A |
1499 |
1339 |
0.893 |
188 |
1161 |
|
|
20 |
A |
1436 |
1315 |
0.916 |
188 |
1162 |
|
|
21 |
A |
1379 |
1244 |
0.902 |
188 |
1163 |
|
|
22 |
A |
1266 |
1154 |
0.912 |
188 |
1164 |
|
|
23 |
A |
1218 |
1110 |
0.911 |
188 |
1165 |
|
|
24 |
A |
1155 |
1058 |
0.916 |
188 |
1166 |
|
|
25 |
A |
1054 |
|
|
188 |
1167 |
|
|
26 |
A |
1051 |
954 |
0.907 |
188 |
1168 |
|
|
27 |
A |
1032 |
|
|
188 |
1169 |
|
|
28 |
A |
994 |
924 |
0.930 |
188 |
1170 |
|
|
29 |
A |
976 |
882 |
0.903 |
188 |
1171 |
|
|
30 |
A |
858 |
724 |
0.843 |
188 |
1172 |
|
|
31 |
A |
743 |
632 |
0.851 |
188 |
1173 |
|
|
32 |
A |
436 |
427 |
0.980 |
188 |
1174 |
|
|
33 |
A |
350 |
336 |
0.959 |
188 |
1175 |
|
|
34 |
A |
328 |
|
|
188 |
1176 |
|
|
35 |
A |
238 |
|
|
188 |
1177 |
|
|
36 |
A |
218 |
|
|
188 |
1178 |
|
|
37 |
A |
213 |
215 |
1.011 |
188 |
1179 |
|
|
38 |
A |
152 |
|
|
188 |
1180 |
|
|
39 |
A |
76 |
|
|
188 |
1181 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3291 |
2909 |
0.884 |
189 |
1182 |
|
|
2 |
A1 |
1547 |
1381 |
0.893 |
189 |
1183 |
|
|
3 |
A1 |
786 |
733 |
0.932 |
189 |
1184 |
|
|
4 |
A2 |
251 |
198 |
0.789 |
189 |
1185 |
|
|
5 |
E |
3469 |
2955 |
0.852 |
189 |
1186 |
|
|
6 |
E |
1646 |
1451 |
0.882 |
189 |
1187 |
|
|
7 |
E |
1157 |
999 |
0.863 |
189 |
1188 |
|
|
8 |
E |
332 |
335 |
1.010 |
189 |
1189 |
|
|
9 |
T1 |
3467 |
2975 |
0.858 |
189 |
1190 |
|
|
10 |
T1 |
1641 |
1461 |
0.890 |
189 |
1191 |
|
|
11 |
T1 |
1036 |
932 |
0.900 |
189 |
1192 |
|
|
12 |
T1 |
297 |
203 |
0.684 |
189 |
1193 |
|
|
13 |
T2 |
3467 |
2959 |
0.854 |
189 |
1194 |
|
|
14 |
T2 |
3293 |
2876 |
0.873 |
189 |
1195 |
|
|
15 |
T2 |
1661 |
1475 |
0.888 |
189 |
1196 |
|
|
16 |
T2 |
1518 |
1372 |
0.904 |
189 |
1197 |
|
|
17 |
T2 |
1399 |
1256 |
0.898 |
189 |
1198 |
|
|
18 |
T2 |
1017 |
925 |
0.909 |
189 |
1199 |
|
|
19 |
T2 |
416 |
418 |
1.004 |
189 |
1200 |