H2 |
Hydrogen diatomic |
1 |
Σg |
4454 |
4161 |
0.934 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1386 |
1360 |
0.981 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
341 |
346 |
1.017 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1126 |
1133 |
1.007 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
155 |
158 |
1.017 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
2037 |
1987 |
0.976 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1467 |
1432 |
0.976 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2266 |
2269 |
1.001 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1622 |
1625 |
1.002 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2658 |
2733 |
1.028 |
10 |
10 |
|
|
1 |
Σ |
3116 |
|
|
10 |
11 |
C2 |
Carbon diatomic |
1 |
Σg |
1867 |
1827 |
0.979 |
11 |
12 |
SiH |
Silylidyne |
1 |
Σ |
1917 |
1971 |
1.028 |
12 |
13 |
Si2 |
Silicon diatomic |
1 |
Σg |
514 |
507 |
0.986 |
13 |
14 |
NH |
Imidogen |
1 |
Σ |
2949 |
3126 |
1.060 |
14 |
15 |
CN |
Cyano radical |
1 |
Σ |
2098 |
2042 |
0.974 |
15 |
16 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2294 |
2330 |
1.015 |
16 |
17 |
|
|
1 |
Σg |
1638 |
1733 |
1.058 |
16 |
18 |
SiN |
Silicon nitride |
1 |
Σ |
1111 |
1138 |
1.024 |
17 |
19 |
PH |
phosphorus monohydride |
1 |
Σ |
2173 |
2276 |
1.048 |
18 |
20 |
|
|
1 |
Σ |
2175 |
2319 |
1.066 |
18 |
21 |
PN |
Phosphorus mononitride |
1 |
Σ |
1286 |
1323 |
1.029 |
19 |
22 |
P2 |
Phosphorus diatomic |
1 |
Σg |
719 |
775 |
1.079 |
20 |
23 |
OH |
Hydroxyl radical |
1 |
Σ |
3309 |
3570 |
1.079 |
21 |
24 |
LiO |
lithium oxide |
1 |
Σ |
998 |
799 |
0.801 |
22 |
25 |
BeO |
beryllium oxide |
1 |
Σ |
1548 |
1435 |
0.926 |
23 |
26 |
BO |
boron monoxide |
1 |
Σ |
1841 |
1862 |
1.011 |
24 |
27 |
CO |
Carbon monoxide |
1 |
Σ |
2090 |
2143 |
1.025 |
25 |
28 |
|
|
1 |
Σ |
1667 |
|
|
25 |
29 |
NaO |
sodium monoxide |
1 |
Σ |
582 |
|
|
26 |
30 |
MgO |
magnesium oxide |
1 |
Σ |
839 |
775 |
0.923 |
27 |
31 |
SiO |
Silicon monoxide |
1 |
Σ |
1197 |
1230 |
1.027 |
28 |
32 |
HS |
Mercapto radical |
1 |
Σ |
2454 |
2599 |
1.059 |
29 |
33 |
BeS |
beryllium sulfide |
1 |
Σ |
996 |
986 |
0.989 |
30 |
34 |
BS |
boron sulfide |
1 |
Σ |
1143 |
1167 |
1.022 |
31 |
35 |
CS |
carbon monosulfide |
1 |
Σ |
1172 |
1272 |
1.085 |
32 |
36 |
SO |
Sulfur monoxide |
1 |
Σ |
1021 |
1138 |
1.115 |
33 |
37 |
|
|
1 |
Σ |
1016 |
1054 |
1.037 |
33 |
38 |
MgS |
magnesium sulfide |
1 |
Σ |
516 |
523 |
1.015 |
34 |
39 |
AlS |
Aluminum sulfide |
1 |
Σ |
564 |
610 |
1.083 |
35 |
40 |
SiS |
silicon monosulfide |
1 |
Σ |
670 |
744 |
1.112 |
36 |
41 |
S2 |
Sulfur diatomic |
1 |
Σg |
570 |
720 |
1.262 |
37 |
42 |
HF |
Hydrogen fluoride |
1 |
Σ |
3694 |
3961 |
1.072 |
38 |
43 |
LiF |
lithium fluoride |
1 |
Σ |
1024 |
896 |
0.875 |
39 |
44 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1353 |
|
|
40 |
45 |
CF |
Fluoromethylidyne |
1 |
Σ |
1261 |
1286 |
1.020 |
41 |
46 |
NF |
nitrogen fluoride |
1 |
Σ |
1100 |
1123 |
1.021 |
42 |
47 |
F2 |
Fluorine diatomic |
1 |
Σg |
1127 |
894 |
0.793 |
43 |
48 |
NaF |
sodium fluoride |
1 |
Σ |
559 |
529 |
0.946 |
44 |
49 |
MgF |
Magnesium monofluoride |
1 |
Σ |
739 |
|
|
45 |
50 |
AlF |
Aluminum monofluoride |
1 |
Σ |
822 |
793 |
0.965 |
46 |
51 |
SiF |
silicon monofluoride |
1 |
Σ |
855 |
848 |
0.992 |
47 |
52 |
PF |
phosphorus monofluoride |
1 |
Σ |
831 |
838 |
1.008 |
48 |
53 |
SF |
Monosulfur monofluoride |
1 |
Σ |
811 |
829 |
1.022 |
49 |
54 |
HCl |
Hydrogen chloride |
1 |
Σ |
2702 |
2886 |
1.068 |
50 |
55 |
LiCl |
lithium chloride |
1 |
Σ |
619 |
634 |
1.024 |
51 |
56 |
BeCl |
beryllium monochloride |
1 |
Σ |
798 |
847 |
1.061 |
52 |
57 |
BCl |
boron monochloride |
1 |
Σ |
692 |
829 |
1.199 |
53 |
58 |
CCl |
carbon monochloride |
1 |
Σ |
676 |
866 |
1.281 |
54 |
59 |
ClO |
Monochlorine monoxide |
1 |
Σ |
753 |
843 |
1.119 |
55 |
60 |
ClF |
Chlorine monofluoride |
1 |
Σ |
755 |
773 |
1.025 |
56 |
61 |
NaCl |
Sodium Chloride |
1 |
Σ |
339 |
361 |
1.066 |
57 |
62 |
MgCl |
magnesium monochloride |
1 |
Σ |
429 |
|
|
58 |
63 |
AlCl |
Aluminum monochloride |
1 |
Σ |
430 |
478 |
1.110 |
59 |
64 |
SiCl |
Clorosilylidyne |
1 |
Σ |
448 |
531 |
1.187 |
60 |
65 |
PCl |
phosphorus chloride |
1 |
Σ |
442 |
547 |
1.237 |
61 |
66 |
SCl |
sulfur monochloride |
1 |
Σ |
470 |
577 |
1.229 |
62 |
67 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
478 |
554 |
1.159 |
63 |
68 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2254 |
2159 |
0.958 |
64 |
69 |
|
|
3 |
Πu |
729 |
698 |
0.958 |
64 |
70 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1634 |
1572 |
0.962 |
65 |
71 |
|
|
3 |
Πu |
474 |
440 |
0.928 |
65 |
72 |
BH2 |
boron dihydride |
2 |
A1 |
992 |
954 |
0.961 |
66 |
73 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1797 |
1770 |
0.985 |
67 |
74 |
|
|
2 |
A1 |
726 |
760 |
1.047 |
67 |
75 |
|
|
3 |
B2 |
1844 |
1807 |
0.980 |
67 |
76 |
SiH2 |
silicon dihydride |
1 |
A1 |
1955 |
1996 |
1.021 |
68 |
77 |
|
|
2 |
A1 |
1014 |
999 |
0.986 |
68 |
78 |
|
|
3 |
B2 |
1959 |
1993 |
1.017 |
68 |
79 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3499 |
3312 |
0.947 |
69 |
80 |
|
|
2 |
Σ |
2175 |
2089 |
0.961 |
69 |
81 |
|
|
3 |
Π |
902 |
712 |
0.789 |
69 |
82 |
PH2 |
Phosphino radical |
1 |
A1 |
2200 |
2310 |
1.050 |
70 |
83 |
|
|
2 |
A1 |
1124 |
1102 |
0.981 |
70 |
84 |
HCP |
Phosphaethyne |
1 |
Σ |
3390 |
3217 |
0.949 |
71 |
85 |
|
|
2 |
Σ |
1286 |
1278 |
0.994 |
71 |
86 |
|
|
3 |
Π |
745 |
674 |
0.905 |
71 |
87 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
1938 |
2095 |
1.081 |
72 |
88 |
|
|
2 |
A' |
1089 |
1188 |
1.091 |
72 |
89 |
|
|
3 |
A' |
971 |
986 |
1.015 |
72 |
90 |
H2O |
Water |
1 |
A1 |
3474 |
3657 |
1.053 |
73 |
91 |
|
|
2 |
A1 |
1692 |
1595 |
0.942 |
73 |
92 |
|
|
3 |
B2 |
3619 |
3756 |
1.038 |
73 |
93 |
HBO |
Boron hydride oxide |
1 |
Σ |
2952 |
2850 |
0.965 |
74 |
94 |
|
|
2 |
Σ |
1813 |
1826 |
1.007 |
74 |
95 |
|
|
3 |
Π |
802 |
756 |
0.942 |
74 |
96 |
HCO |
Formyl radical |
1 |
A' |
2685 |
2434 |
0.907 |
75 |
97 |
|
|
2 |
A' |
1839 |
1868 |
1.016 |
75 |
98 |
|
|
3 |
A' |
1114 |
1081 |
0.970 |
75 |
99 |
HNO |
Nitrosyl hydride |
1 |
A' |
2688 |
2684 |
0.998 |
76 |
100 |
|
|
2 |
A' |
1544 |
1565 |
1.014 |
76 |
101 |
|
|
3 |
A' |
1377 |
1501 |
1.090 |
76 |
102 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3346 |
3436 |
1.027 |
77 |
103 |
|
|
2 |
A' |
1355 |
1392 |
1.027 |
77 |
104 |
|
|
3 |
A' |
1113 |
1098 |
0.986 |
77 |
105 |
CO2 |
Carbon dioxide |
1 |
Σg |
1303 |
1333 |
1.023 |
78 |
106 |
|
|
2 |
Σu |
2365 |
2349 |
0.993 |
78 |
107 |
|
|
3 |
Πu |
590 |
667 |
1.131 |
78 |
108 |
N2O |
Nitrous oxide |
1 |
Σ |
2140 |
2224 |
1.039 |
79 |
109 |
|
|
2 |
Σ |
1148 |
1285 |
1.119 |
79 |
110 |
|
|
3 |
Π |
548 |
589 |
1.074 |
79 |
111 |
NaOH |
sodium hydroxide |
1 |
Σ |
3655 |
3637 |
0.995 |
80 |
112 |
|
|
2 |
Σ |
645 |
540 |
0.837 |
80 |
113 |
|
|
3 |
Π |
269 |
300 |
1.114 |
80 |
114 |
SiO2 |
silicon dioxide |
2 |
Σu |
1342 |
1416 |
1.055 |
81 |
115 |
|
|
3 |
Πu |
126 |
273 |
2.159 |
81 |
116 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2491 |
2615 |
1.050 |
82 |
117 |
|
|
2 |
A1 |
1222 |
1183 |
0.968 |
82 |
118 |
|
|
3 |
B2 |
2517 |
2626 |
1.043 |
82 |
119 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2889 |
2736 |
0.947 |
83 |
120 |
|
|
2 |
Σ |
1159 |
1172 |
1.011 |
83 |
121 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2085 |
2062 |
0.989 |
84 |
122 |
|
|
2 |
Σ |
820 |
859 |
1.048 |
84 |
123 |
|
|
3 |
Π |
537 |
520 |
0.968 |
84 |
124 |
SO2 |
Sulfur dioxide |
1 |
A1 |
970 |
1151 |
1.187 |
85 |
125 |
|
|
2 |
A1 |
432 |
518 |
1.198 |
85 |
126 |
|
|
3 |
B2 |
1124 |
1362 |
1.211 |
85 |
127 |
SSO |
Disulfur monoxide |
1 |
A' |
994 |
1166 |
1.174 |
86 |
128 |
|
|
2 |
A' |
493 |
679 |
1.378 |
86 |
129 |
|
|
3 |
A' |
285 |
380 |
1.334 |
86 |
130 |
HCF |
Fluoromethylene |
1 |
A' |
2625 |
2643 |
1.007 |
87 |
131 |
|
|
2 |
A' |
1406 |
1403 |
0.998 |
87 |
132 |
|
|
3 |
A' |
1182 |
1189 |
1.006 |
87 |
133 |
HOF |
Hypofluorous acid |
1 |
A' |
3405 |
3578 |
1.051 |
88 |
134 |
|
|
2 |
A' |
1323 |
1362 |
1.030 |
88 |
135 |
|
|
3 |
A' |
1047 |
893 |
0.853 |
88 |
136 |
CF2 |
Difluoromethylene |
1 |
A1 |
1193 |
1225 |
1.026 |
89 |
137 |
|
|
2 |
A1 |
604 |
667 |
1.104 |
89 |
138 |
|
|
3 |
B2 |
1141 |
1114 |
0.977 |
89 |
139 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1561 |
1844 |
1.181 |
90 |
140 |
|
|
2 |
A' |
886 |
766 |
0.865 |
90 |
141 |
|
|
3 |
A' |
567 |
520 |
0.917 |
90 |
142 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1050 |
1075 |
1.024 |
91 |
143 |
|
|
2 |
A1 |
476 |
573 |
1.203 |
91 |
144 |
|
|
3 |
B2 |
967 |
942 |
0.975 |
91 |
145 |
F2O |
Difluorine monoxide |
1 |
A1 |
1035 |
928 |
0.897 |
92 |
146 |
|
|
2 |
A1 |
403 |
461 |
1.144 |
92 |
147 |
|
|
3 |
B2 |
994 |
831 |
0.836 |
92 |
148 |
HOCl |
hypochlorous acid |
1 |
A' |
3413 |
3609 |
1.058 |
93 |
149 |
|
|
2 |
A' |
1265 |
1239 |
0.979 |
93 |
150 |
|
|
3 |
A' |
705 |
724 |
1.028 |
93 |
151 |
ClCN |
chlorocyanogen |
1 |
Σ |
2309 |
2216 |
0.960 |
94 |
152 |
|
|
2 |
Σ |
678 |
744 |
1.097 |
94 |
153 |
|
|
3 |
Π |
481 |
378 |
0.786 |
94 |
154 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1619 |
1800 |
1.111 |
95 |
155 |
|
|
2 |
A' |
608 |
596 |
0.980 |
95 |
156 |
|
|
3 |
A' |
345 |
332 |
0.961 |
95 |
157 |
OClO |
Chlorine dioxide |
1 |
A1 |
706 |
946 |
1.339 |
96 |
158 |
|
|
2 |
A1 |
320 |
448 |
1.401 |
96 |
159 |
|
|
3 |
B2 |
761 |
1110 |
1.459 |
96 |
160 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
634 |
639 |
1.008 |
97 |
161 |
|
|
2 |
A1 |
264 |
296 |
1.121 |
97 |
162 |
|
|
3 |
B2 |
667 |
686 |
1.029 |
97 |
163 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
442 |
522 |
1.181 |
98 |
164 |
|
|
2 |
A1 |
157 |
201 |
1.274 |
98 |
165 |
|
|
3 |
B2 |
441 |
509 |
1.156 |
98 |
166 |
BH3 |
boron trihydride |
2 |
A2" |
1133 |
1148 |
1.013 |
99 |
167 |
|
|
3 |
E' |
2720 |
2602 |
0.956 |
99 |
168 |
|
|
4 |
E' |
1197 |
1197 |
1.000 |
99 |
169 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1895 |
1900 |
1.002 |
100 |
170 |
|
|
2 |
A2" |
683 |
698 |
1.022 |
100 |
171 |
|
|
3 |
E' |
1916 |
1883 |
0.983 |
100 |
172 |
|
|
4 |
E' |
739 |
783 |
1.060 |
100 |
173 |
C2H2 |
Acetylene |
1 |
Σg |
3549 |
3374 |
0.951 |
101 |
174 |
|
|
2 |
Σg |
2088 |
1974 |
0.945 |
101 |
175 |
|
|
3 |
Σu |
3437 |
3289 |
0.957 |
101 |
176 |
|
|
4 |
Πg |
725 |
612 |
0.845 |
101 |
177 |
|
|
5 |
Πu |
793 |
730 |
0.921 |
101 |
178 |
SiH3 |
Silyl radical |
1 |
A1 |
2162 |
2136 |
0.988 |
102 |
179 |
|
|
2 |
A1 |
683 |
728 |
1.066 |
102 |
180 |
|
|
3 |
E |
2209 |
2185 |
0.989 |
102 |
181 |
|
|
4 |
E |
906 |
922 |
1.017 |
102 |
182 |
NH3 |
Ammonia |
1 |
A1 |
3434 |
3337 |
0.972 |
103 |
183 |
|
|
2 |
A1 |
719 |
950 |
1.322 |
103 |
184 |
|
|
3 |
E |
3597 |
3444 |
0.957 |
103 |
185 |
|
|
4 |
E |
1739 |
1627 |
0.935 |
103 |
186 |
C2N2 |
Cyanogen |
1 |
Σg |
2454 |
2330 |
0.950 |
104 |
187 |
|
|
2 |
Σg |
900 |
846 |
0.940 |
104 |
188 |
|
|
3 |
Σu |
2251 |
2158 |
0.959 |
104 |
189 |
|
|
4 |
Πg |
792 |
503 |
0.635 |
104 |
190 |
|
|
5 |
Πu |
322 |
234 |
0.727 |
104 |
191 |
PH3 |
Phosphine |
1 |
A1 |
2253 |
2323 |
1.031 |
105 |
192 |
|
|
2 |
A1 |
1020 |
992 |
0.972 |
105 |
193 |
|
|
3 |
E |
2270 |
2328 |
1.025 |
105 |
194 |
|
|
4 |
E |
1179 |
1118 |
0.948 |
105 |
195 |
P4 |
Phosphorus tetramer |
1 |
A1 |
519 |
601 |
1.156 |
106 |
196 |
|
|
2 |
E |
307 |
361 |
1.175 |
106 |
197 |
|
|
3 |
T2 |
389 |
467 |
1.199 |
106 |
198 |
H2CO |
Formaldehyde |
1 |
A1 |
2918 |
2782 |
0.953 |
107 |
199 |
|
|
2 |
A1 |
1764 |
1746 |
0.990 |
107 |
200 |
|
|
3 |
A1 |
1575 |
1500 |
0.952 |
107 |
201 |
|
|
4 |
B1 |
1219 |
1167 |
0.957 |
107 |
202 |
|
|
5 |
B2 |
2967 |
2843 |
0.958 |
107 |
203 |
|
|
6 |
B2 |
1279 |
1249 |
0.976 |
107 |
204 |
HNCO |
Isocyanic acid |
1 |
A' |
3779 |
3538 |
0.936 |
108 |
205 |
|
|
2 |
A' |
2407 |
2269 |
0.943 |
108 |
206 |
|
|
3 |
A' |
1327 |
1327 |
1.000 |
108 |
207 |
|
|
4 |
A' |
600 |
777 |
1.295 |
108 |
208 |
|
|
5 |
A' |
464 |
577 |
1.245 |
108 |
209 |
|
|
6 |
A" |
601 |
656 |
1.091 |
108 |
210 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2093 |
2060 |
0.984 |
109 |
211 |
|
|
2 |
Σg |
635 |
585 |
0.922 |
109 |
212 |
|
|
3 |
Σu |
1889 |
1898 |
1.005 |
109 |
213 |
|
|
4 |
Πg |
576 |
410 |
0.711 |
109 |
214 |
|
|
5 |
Πu |
248 |
213 |
0.857 |
109 |
215 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3118 |
2971 |
0.953 |
110 |
216 |
|
|
2 |
A1 |
1528 |
1456 |
0.952 |
110 |
217 |
|
|
3 |
A1 |
1028 |
1059 |
1.030 |
110 |
218 |
|
|
4 |
B1 |
1035 |
990 |
0.956 |
110 |
219 |
|
|
5 |
B2 |
3219 |
3025 |
0.940 |
110 |
220 |
|
|
6 |
B2 |
1025 |
991 |
0.966 |
110 |
221 |
H2S2 |
Disulfane |
1 |
A |
2466 |
2556 |
1.036 |
111 |
222 |
|
|
2 |
A |
833 |
882 |
1.058 |
111 |
223 |
|
|
3 |
A |
435 |
515 |
1.182 |
111 |
224 |
|
|
4 |
A |
338 |
417 |
1.235 |
111 |
225 |
|
|
5 |
B |
2467 |
2559 |
1.037 |
111 |
226 |
|
|
6 |
B |
814 |
878 |
1.078 |
111 |
227 |
SO3 |
Sulfur trioxide |
1 |
A1' |
859 |
1065 |
1.240 |
112 |
228 |
|
|
2 |
A2" |
319 |
498 |
1.563 |
112 |
229 |
|
|
3 |
E' |
1135 |
1391 |
1.225 |
112 |
230 |
|
|
4 |
E' |
407 |
530 |
1.304 |
112 |
231 |
BHF2 |
Difluoroborane |
1 |
A1 |
2797 |
2621 |
0.937 |
113 |
232 |
|
|
2 |
A1 |
1195 |
1164 |
0.975 |
113 |
233 |
|
|
3 |
A1 |
535 |
542 |
1.012 |
113 |
234 |
|
|
4 |
B1 |
956 |
924 |
0.966 |
113 |
235 |
|
|
5 |
B2 |
1545 |
1402 |
0.908 |
113 |
236 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1953 |
1928 |
0.987 |
114 |
237 |
|
|
2 |
A1 |
955 |
965 |
1.011 |
114 |
238 |
|
|
3 |
A1 |
551 |
584 |
1.061 |
114 |
239 |
|
|
4 |
B1 |
744 |
774 |
1.040 |
114 |
240 |
|
|
5 |
B2 |
1297 |
1249 |
0.963 |
114 |
241 |
|
|
6 |
B2 |
612 |
626 |
1.022 |
114 |
242 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
897 |
888 |
0.990 |
115 |
243 |
|
|
2 |
A2" |
647 |
691 |
1.069 |
115 |
244 |
|
|
3 |
E' |
1567 |
1449 |
0.925 |
115 |
245 |
|
|
4 |
E' |
471 |
480 |
1.020 |
115 |
246 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1292 |
1523 |
1.179 |
116 |
247 |
|
|
2 |
Ag |
1009 |
1018 |
1.009 |
116 |
248 |
|
|
3 |
Ag |
574 |
603 |
1.051 |
116 |
249 |
|
|
4 |
Au |
336 |
364 |
1.083 |
116 |
250 |
|
|
5 |
Bu |
1024 |
991 |
0.968 |
116 |
251 |
|
|
6 |
Bu |
373 |
423 |
1.133 |
116 |
252 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1041 |
1089 |
1.046 |
117 |
253 |
|
|
2 |
A1 |
652 |
701 |
1.075 |
117 |
254 |
|
|
3 |
E |
1300 |
1260 |
0.969 |
117 |
255 |
|
|
4 |
E |
472 |
509 |
1.078 |
117 |
256 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
547 |
1032 |
1.886 |
118 |
257 |
|
|
2 |
A1 |
996 |
647 |
0.649 |
118 |
258 |
|
|
3 |
E |
404 |
907 |
2.246 |
118 |
259 |
|
|
4 |
E |
926 |
492 |
0.531 |
118 |
260 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
701 |
690 |
0.984 |
119 |
261 |
|
|
2 |
A2" |
256 |
297 |
1.158 |
119 |
262 |
|
|
3 |
E' |
1008 |
935 |
0.927 |
119 |
263 |
|
|
4 |
E' |
267 |
263 |
0.984 |
119 |
264 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
863 |
892 |
1.033 |
120 |
265 |
|
|
2 |
A1 |
411 |
487 |
1.185 |
120 |
266 |
|
|
3 |
E |
881 |
860 |
0.976 |
120 |
267 |
|
|
4 |
E |
294 |
344 |
1.169 |
120 |
268 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2784 |
2617 |
0.940 |
121 |
269 |
|
|
2 |
A1 |
680 |
740 |
1.088 |
121 |
270 |
|
|
4 |
B1 |
779 |
784 |
1.006 |
121 |
271 |
|
|
5 |
B2 |
1093 |
1089 |
0.996 |
121 |
272 |
|
|
6 |
B2 |
859 |
892 |
1.039 |
121 |
273 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1146 |
1267 |
1.106 |
122 |
274 |
|
|
2 |
A1 |
755 |
793 |
1.050 |
122 |
275 |
|
|
3 |
A1 |
371 |
364 |
0.980 |
122 |
276 |
|
|
4 |
B1 |
593 |
652 |
1.099 |
122 |
277 |
|
|
5 |
B2 |
1511 |
1684 |
1.115 |
122 |
278 |
|
|
6 |
B2 |
353 |
408 |
1.157 |
122 |
279 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
633 |
752 |
1.188 |
123 |
280 |
|
|
2 |
A1 |
474 |
529 |
1.115 |
123 |
281 |
|
|
3 |
A1 |
216 |
328 |
1.521 |
123 |
282 |
|
|
4 |
B1 |
252 |
328 |
1.301 |
123 |
283 |
|
|
5 |
B2 |
699 |
702 |
1.004 |
123 |
284 |
|
|
6 |
B2 |
296 |
442 |
1.493 |
123 |
285 |
CCl2O |
Phosgene |
1 |
A1 |
1878 |
1827 |
0.973 |
124 |
286 |
|
|
2 |
A1 |
485 |
567 |
1.170 |
124 |
287 |
|
|
3 |
A1 |
273 |
285 |
1.043 |
124 |
288 |
|
|
4 |
B1 |
543 |
580 |
1.069 |
124 |
289 |
|
|
5 |
B2 |
709 |
849 |
1.197 |
124 |
290 |
|
|
6 |
B2 |
389 |
440 |
1.131 |
124 |
291 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
852 |
820 |
0.962 |
125 |
292 |
|
|
2 |
A1 |
480 |
500 |
1.042 |
125 |
293 |
|
|
3 |
A1 |
252 |
250 |
0.991 |
125 |
294 |
|
|
4 |
B1 |
238 |
260 |
1.093 |
125 |
295 |
|
|
5 |
B2 |
985 |
900 |
0.914 |
125 |
296 |
|
|
6 |
B2 |
198 |
200 |
1.009 |
125 |
297 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
446 |
471 |
1.057 |
126 |
298 |
|
|
2 |
A2" |
460 |
460 |
0.999 |
126 |
299 |
|
|
3 |
E' |
902 |
956 |
1.060 |
126 |
300 |
|
|
4 |
E' |
262 |
243 |
0.926 |
126 |
301 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
912 |
850 |
0.932 |
127 |
302 |
|
|
2 |
A1 |
406 |
450 |
1.110 |
127 |
303 |
|
|
3 |
A1 |
145 |
150 |
1.036 |
127 |
304 |
|
|
4 |
B1 |
209 |
220 |
1.051 |
127 |
305 |
|
|
5 |
B2 |
604 |
610 |
1.009 |
127 |
306 |
|
|
6 |
B2 |
212 |
200 |
0.942 |
127 |
307 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
353 |
375 |
1.062 |
128 |
308 |
|
|
2 |
A2" |
184 |
183 |
0.994 |
128 |
309 |
|
|
3 |
E' |
593 |
595 |
1.003 |
128 |
310 |
|
|
4 |
E' |
133 |
150 |
1.130 |
128 |
311 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
429 |
504 |
1.176 |
129 |
312 |
|
|
2 |
A1 |
191 |
252 |
1.316 |
129 |
313 |
|
|
3 |
E |
420 |
482 |
1.147 |
129 |
314 |
|
|
4 |
E |
144 |
198 |
1.374 |
129 |
315 |
CH4 |
Methane |
1 |
A1 |
3052 |
2917 |
0.956 |
130 |
316 |
|
|
2 |
E |
1635 |
1534 |
0.938 |
130 |
317 |
|
|
3 |
T2 |
3165 |
3019 |
0.954 |
130 |
318 |
|
|
4 |
T2 |
1405 |
1306 |
0.929 |
130 |
319 |
SiH4 |
Silane |
1 |
A1 |
2186 |
2187 |
1.001 |
131 |
320 |
|
|
2 |
E |
962 |
975 |
1.013 |
131 |
321 |
|
|
3 |
T2 |
2207 |
2191 |
0.993 |
131 |
322 |
|
|
4 |
T2 |
865 |
914 |
1.057 |
131 |
323 |
CH2NH |
Methanimine |
1 |
A' |
3290 |
3263 |
0.992 |
132 |
324 |
|
|
2 |
A' |
3136 |
3024 |
0.964 |
132 |
325 |
|
|
3 |
A' |
3018 |
2914 |
0.966 |
132 |
326 |
|
|
4 |
A' |
1701 |
1638 |
0.963 |
132 |
327 |
|
|
5 |
A' |
1530 |
1452 |
0.949 |
132 |
328 |
|
|
6 |
A' |
1365 |
1344 |
0.985 |
132 |
329 |
|
|
7 |
A' |
1095 |
1058 |
0.966 |
132 |
330 |
|
|
8 |
A" |
1185 |
1127 |
0.951 |
132 |
331 |
|
|
9 |
A" |
1113 |
1061 |
0.953 |
132 |
332 |
CH2CO |
Ketene |
1 |
A1 |
3208 |
3070 |
0.957 |
133 |
333 |
|
|
2 |
A1 |
2219 |
2152 |
0.970 |
133 |
334 |
|
|
3 |
A1 |
1454 |
1388 |
0.955 |
133 |
335 |
|
|
4 |
A1 |
1190 |
1118 |
0.939 |
133 |
336 |
|
|
5 |
B1 |
732 |
588 |
0.804 |
133 |
337 |
|
|
6 |
B1 |
601 |
528 |
0.879 |
133 |
338 |
|
|
7 |
B2 |
3292 |
3166 |
0.962 |
133 |
339 |
|
|
8 |
B2 |
1047 |
977 |
0.932 |
133 |
340 |
|
|
9 |
B2 |
490 |
433 |
0.883 |
133 |
341 |
HCOOH |
Formic acid |
3 |
A' |
3498 |
1770 |
0.506 |
134 |
342 |
|
|
4 |
A' |
3102 |
1387 |
0.447 |
134 |
343 |
|
|
5 |
A' |
1775 |
1229 |
0.692 |
134 |
344 |
|
|
6 |
A' |
1425 |
1105 |
0.775 |
134 |
345 |
|
|
7 |
A' |
1333 |
625 |
0.469 |
134 |
346 |
|
|
9 |
A" |
697 |
638 |
0.916 |
134 |
347 |
HNO3 |
Nitric acid |
1 |
A' |
3446 |
3550 |
1.030 |
135 |
348 |
|
|
2 |
A' |
1558 |
1708 |
1.097 |
135 |
349 |
|
|
3 |
A' |
1233 |
1331 |
1.079 |
135 |
350 |
|
|
4 |
A' |
1166 |
1325 |
1.136 |
135 |
351 |
|
|
5 |
A' |
859 |
879 |
1.023 |
135 |
352 |
|
|
6 |
A' |
602 |
647 |
1.074 |
135 |
353 |
|
|
7 |
A' |
500 |
579 |
1.159 |
135 |
354 |
|
|
8 |
A" |
681 |
762 |
1.118 |
135 |
355 |
|
|
9 |
A" |
486 |
456 |
0.938 |
135 |
356 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2231 |
2196 |
0.984 |
136 |
357 |
|
|
2 |
Σg |
785 |
786 |
1.001 |
136 |
358 |
|
|
3 |
Σu |
2456 |
2258 |
0.919 |
136 |
359 |
|
|
4 |
Σu |
1614 |
1573 |
0.975 |
136 |
360 |
|
|
5 |
Πg |
643 |
573 |
0.891 |
136 |
361 |
|
|
6 |
Πu |
812 |
550 |
0.677 |
136 |
362 |
|
|
7 |
Πu |
153 |
61 |
0.399 |
136 |
363 |
CH3F |
Methyl fluoride |
1 |
A1 |
3036 |
2930 |
0.965 |
137 |
364 |
|
|
2 |
A1 |
1556 |
1464 |
0.941 |
137 |
365 |
|
|
3 |
A1 |
1071 |
1049 |
0.980 |
137 |
366 |
|
|
4 |
E |
3099 |
3006 |
0.970 |
137 |
367 |
|
|
5 |
E |
1563 |
1467 |
0.939 |
137 |
368 |
|
|
6 |
E |
1186 |
1182 |
0.996 |
137 |
369 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3059 |
2948 |
0.964 |
138 |
370 |
|
|
2 |
A1 |
1597 |
1508 |
0.944 |
138 |
371 |
|
|
3 |
A1 |
1093 |
1111 |
1.017 |
138 |
372 |
|
|
4 |
A1 |
496 |
529 |
1.066 |
138 |
373 |
|
|
5 |
A2 |
1275 |
1262 |
0.990 |
138 |
374 |
|
|
6 |
B1 |
3111 |
3014 |
0.969 |
138 |
375 |
|
|
7 |
B1 |
1167 |
1178 |
1.010 |
138 |
376 |
|
|
8 |
B2 |
1507 |
1435 |
0.952 |
138 |
377 |
|
|
9 |
B2 |
1138 |
1090 |
0.958 |
138 |
378 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3154 |
3036 |
0.963 |
139 |
379 |
|
|
2 |
A1 |
1118 |
1117 |
0.999 |
139 |
380 |
|
|
3 |
A1 |
657 |
700 |
1.066 |
139 |
381 |
|
|
4 |
E |
1441 |
1372 |
0.952 |
139 |
382 |
|
|
5 |
E |
1197 |
1152 |
0.962 |
139 |
383 |
|
|
6 |
E |
475 |
507 |
1.066 |
139 |
384 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
882 |
909 |
1.030 |
140 |
385 |
|
|
2 |
E |
407 |
435 |
1.068 |
140 |
386 |
|
|
3 |
T2 |
1352 |
1283 |
0.949 |
140 |
387 |
|
|
4 |
T2 |
596 |
631 |
1.058 |
140 |
388 |
SiH3F |
monofluorosilane |
1 |
A1 |
2222 |
2206 |
0.993 |
141 |
389 |
|
|
2 |
A1 |
1055 |
990 |
0.938 |
141 |
390 |
|
|
3 |
A1 |
871 |
872 |
1.001 |
141 |
391 |
|
|
4 |
E |
2226 |
2196 |
0.987 |
141 |
392 |
|
|
6 |
E |
890 |
956 |
1.074 |
141 |
393 |
|
|
8 |
E |
754 |
728 |
0.965 |
141 |
394 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
770 |
800 |
1.039 |
142 |
395 |
|
|
2 |
E |
252 |
268 |
1.065 |
142 |
396 |
|
|
3 |
T2 |
1071 |
1032 |
0.964 |
142 |
397 |
|
|
4 |
T2 |
359 |
389 |
1.084 |
142 |
398 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1303 |
1417 |
1.088 |
143 |
399 |
|
|
2 |
A1 |
800 |
873 |
1.092 |
143 |
400 |
|
|
3 |
A1 |
405 |
472 |
1.167 |
143 |
401 |
|
|
4 |
E |
984 |
991 |
1.008 |
143 |
402 |
|
|
5 |
E |
380 |
482 |
1.267 |
143 |
403 |
|
|
6 |
E |
276 |
336 |
1.216 |
143 |
404 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3117 |
2966 |
0.951 |
144 |
405 |
|
|
2 |
A1 |
1395 |
1355 |
0.971 |
144 |
406 |
|
|
3 |
A1 |
654 |
732 |
1.119 |
144 |
407 |
|
|
4 |
E |
3236 |
3042 |
0.940 |
144 |
408 |
|
|
5 |
E |
1528 |
1455 |
0.952 |
144 |
409 |
|
|
6 |
E |
1021 |
1015 |
0.994 |
144 |
410 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2222 |
2201 |
0.991 |
145 |
411 |
|
|
2 |
A1 |
914 |
949 |
1.039 |
145 |
412 |
|
|
3 |
A1 |
470 |
551 |
1.172 |
145 |
413 |
|
|
4 |
E |
2250 |
2195 |
0.976 |
145 |
414 |
|
|
5 |
E |
918 |
954 |
1.039 |
145 |
415 |
|
|
6 |
E |
629 |
664 |
1.056 |
145 |
416 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3180 |
2999 |
0.943 |
146 |
417 |
|
|
2 |
A1 |
1476 |
1467 |
0.994 |
146 |
418 |
|
|
3 |
A1 |
649 |
717 |
1.105 |
146 |
419 |
|
|
4 |
A1 |
261 |
282 |
1.079 |
146 |
420 |
|
|
5 |
A2 |
1168 |
1153 |
0.988 |
146 |
421 |
|
|
6 |
B1 |
3283 |
3040 |
0.926 |
146 |
422 |
|
|
7 |
B1 |
876 |
898 |
1.026 |
146 |
423 |
|
|
8 |
B2 |
1287 |
1268 |
0.985 |
146 |
424 |
|
|
9 |
B2 |
676 |
758 |
1.122 |
146 |
425 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1052 |
1105 |
1.050 |
147 |
426 |
|
|
2 |
A1 |
715 |
781 |
1.093 |
147 |
427 |
|
|
3 |
A1 |
396 |
476 |
1.203 |
147 |
428 |
|
|
4 |
E |
1314 |
1212 |
0.922 |
147 |
429 |
|
|
5 |
E |
525 |
563 |
1.073 |
147 |
430 |
|
|
6 |
E |
307 |
350 |
1.142 |
147 |
431 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2252 |
2224 |
0.988 |
148 |
432 |
|
|
2 |
A1 |
899 |
954 |
1.061 |
148 |
433 |
|
|
3 |
A1 |
455 |
527 |
1.158 |
148 |
434 |
|
|
4 |
A1 |
166 |
188 |
1.133 |
148 |
435 |
|
|
5 |
A2 |
688 |
710 |
1.031 |
148 |
436 |
|
|
6 |
B1 |
2285 |
2237 |
0.979 |
148 |
437 |
|
|
7 |
B1 |
530 |
602 |
1.135 |
148 |
438 |
|
|
8 |
B2 |
835 |
876 |
1.049 |
148 |
439 |
|
|
9 |
B2 |
517 |
590 |
1.141 |
148 |
440 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
752 |
1061 |
1.410 |
149 |
441 |
|
|
2 |
A1 |
562 |
715 |
1.271 |
149 |
442 |
|
|
3 |
A1 |
336 |
549 |
1.633 |
149 |
443 |
|
|
4 |
E |
910 |
1315 |
1.445 |
149 |
444 |
|
|
5 |
E |
360 |
589 |
1.635 |
149 |
445 |
|
|
6 |
E |
234 |
405 |
1.728 |
149 |
446 |
CHCl3 |
Chloroform |
1 |
A1 |
3250 |
3034 |
0.934 |
150 |
447 |
|
|
2 |
A1 |
613 |
680 |
1.109 |
150 |
448 |
|
|
3 |
A1 |
336 |
366 |
1.089 |
150 |
449 |
|
|
4 |
E |
1220 |
1220 |
1.000 |
150 |
450 |
|
|
5 |
E |
700 |
774 |
1.105 |
150 |
451 |
|
|
6 |
E |
243 |
260 |
1.069 |
150 |
452 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1128 |
1101 |
0.976 |
151 |
453 |
|
|
2 |
A1 |
608 |
667 |
1.098 |
151 |
454 |
|
|
3 |
A1 |
393 |
458 |
1.165 |
151 |
455 |
|
|
4 |
A1 |
236 |
262 |
1.111 |
151 |
456 |
|
|
5 |
A2 |
284 |
322 |
1.134 |
151 |
457 |
|
|
6 |
B1 |
777 |
902 |
1.160 |
151 |
458 |
|
|
7 |
B1 |
378 |
437 |
1.155 |
151 |
459 |
|
|
8 |
B2 |
1280 |
1159 |
0.905 |
151 |
460 |
|
|
9 |
B2 |
378 |
446 |
1.179 |
151 |
461 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1170 |
1085 |
0.927 |
152 |
462 |
|
|
2 |
A1 |
461 |
535 |
1.161 |
152 |
463 |
|
|
3 |
A1 |
313 |
350 |
1.117 |
152 |
464 |
|
|
4 |
E |
747 |
847 |
1.133 |
152 |
465 |
|
|
5 |
E |
353 |
394 |
1.115 |
152 |
466 |
|
|
6 |
E |
223 |
241 |
1.080 |
152 |
467 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
964 |
1205 |
1.250 |
153 |
468 |
|
|
2 |
A1 |
442 |
577 |
1.305 |
153 |
469 |
|
|
3 |
A1 |
274 |
408 |
1.486 |
153 |
470 |
|
|
4 |
A1 |
121 |
218 |
1.802 |
153 |
471 |
|
|
5 |
A2 |
163 |
282 |
1.728 |
153 |
472 |
|
|
6 |
B1 |
419 |
586 |
1.398 |
153 |
473 |
|
|
7 |
B1 |
243 |
388 |
1.594 |
153 |
474 |
|
|
8 |
B2 |
1149 |
1434 |
1.248 |
153 |
475 |
|
|
9 |
B2 |
222 |
362 |
1.627 |
153 |
476 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2298 |
2261 |
0.984 |
154 |
477 |
|
|
2 |
A1 |
428 |
499 |
1.165 |
154 |
478 |
|
|
3 |
A1 |
212 |
254 |
1.199 |
154 |
479 |
|
|
4 |
E |
743 |
811 |
1.091 |
154 |
480 |
|
|
5 |
E |
533 |
600 |
1.125 |
154 |
481 |
|
|
6 |
E |
156 |
176 |
1.127 |
154 |
482 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
416 |
459 |
1.104 |
155 |
483 |
|
|
2 |
E |
204 |
217 |
1.062 |
155 |
484 |
|
|
3 |
T2 |
721 |
776 |
1.077 |
155 |
485 |
|
|
4 |
T2 |
294 |
314 |
1.068 |
155 |
486 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1176 |
1322 |
1.124 |
156 |
487 |
|
|
2 |
A1 |
366 |
481 |
1.314 |
156 |
488 |
|
|
3 |
A1 |
194 |
266 |
1.374 |
156 |
489 |
|
|
4 |
E |
453 |
590 |
1.302 |
156 |
490 |
|
|
5 |
E |
257 |
333 |
1.294 |
156 |
491 |
|
|
6 |
E |
139 |
187 |
1.341 |
156 |
492 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
361 |
424 |
1.174 |
157 |
493 |
|
|
2 |
E |
133 |
150 |
1.130 |
157 |
494 |
|
|
3 |
T2 |
558 |
621 |
1.113 |
157 |
495 |
|
|
4 |
T2 |
189 |
221 |
1.168 |
157 |
496 |
C2H4 |
Ethylene |
1 |
Ag |
3168 |
3026 |
0.955 |
158 |
497 |
|
|
2 |
Ag |
1710 |
1623 |
0.949 |
158 |
498 |
|
|
3 |
Ag |
1425 |
1342 |
0.942 |
158 |
499 |
|
|
4 |
Au |
1080 |
1023 |
0.948 |
158 |
500 |
|
|
5 |
B1u |
3151 |
2989 |
0.948 |
158 |
501 |
|
|
6 |
B1u |
1525 |
1444 |
0.946 |
158 |
502 |
|
|
7 |
B2g |
1003 |
940 |
0.937 |
158 |
503 |
|
|
8 |
B2u |
3254 |
3105 |
0.954 |
158 |
504 |
|
|
9 |
B2u |
874 |
826 |
0.946 |
158 |
505 |
|
|
10 |
B3g |
3222 |
3086 |
0.958 |
158 |
506 |
|
|
11 |
B3g |
1281 |
1217 |
0.950 |
158 |
507 |
|
|
12 |
B3u |
992 |
949 |
0.957 |
158 |
508 |
C3H3 |
Propargyl radical |
1 |
A1 |
3487 |
3322 |
0.953 |
159 |
509 |
|
|
6 |
B1 |
708 |
687 |
0.970 |
159 |
510 |
|
|
7 |
B1 |
528 |
490 |
0.928 |
159 |
511 |
N2H4 |
Hydrazine |
1 |
A |
3506 |
3398 |
0.969 |
160 |
512 |
|
|
2 |
A |
3371 |
3329 |
0.988 |
160 |
513 |
|
|
3 |
A |
1740 |
1642 |
0.944 |
160 |
514 |
|
|
4 |
A |
1311 |
1275 |
0.973 |
160 |
515 |
|
|
5 |
A |
1123 |
1076 |
0.958 |
160 |
516 |
|
|
6 |
A |
626 |
780 |
1.245 |
160 |
517 |
|
|
7 |
A |
473 |
377 |
0.796 |
160 |
518 |
|
|
8 |
B |
3513 |
3350 |
0.954 |
160 |
519 |
|
|
9 |
B |
3357 |
3314 |
0.987 |
160 |
520 |
|
|
10 |
B |
1724 |
1628 |
0.944 |
160 |
521 |
|
|
11 |
B |
1292 |
1275 |
0.987 |
160 |
522 |
|
|
12 |
B |
834 |
966 |
1.159 |
160 |
523 |
CH3CN |
Acetonitrile |
1 |
A1 |
3067 |
2954 |
0.963 |
161 |
524 |
|
|
2 |
A1 |
2363 |
2267 |
0.959 |
161 |
525 |
|
|
3 |
A1 |
1474 |
1385 |
0.940 |
161 |
526 |
|
|
4 |
A1 |
939 |
920 |
0.980 |
161 |
527 |
|
|
5 |
E |
3139 |
3009 |
0.958 |
161 |
528 |
|
|
6 |
E |
1537 |
1448 |
0.942 |
161 |
529 |
|
|
7 |
E |
1118 |
1041 |
0.931 |
161 |
530 |
|
|
8 |
E |
461 |
362 |
0.785 |
161 |
531 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2424 |
2290 |
0.945 |
162 |
532 |
|
|
2 |
Σg |
2216 |
2119 |
0.956 |
162 |
533 |
|
|
3 |
Σg |
625 |
692 |
1.107 |
162 |
534 |
|
|
4 |
Σu |
2348 |
2241 |
0.954 |
162 |
535 |
|
|
5 |
Σu |
1202 |
1154 |
0.960 |
162 |
536 |
|
|
6 |
Πg |
948 |
504 |
0.532 |
162 |
537 |
|
|
7 |
Πg |
350 |
263 |
0.751 |
162 |
538 |
|
|
8 |
Πu |
716 |
472 |
0.659 |
162 |
539 |
|
|
9 |
Πu |
121 |
107 |
0.886 |
162 |
540 |
CH3OH |
Methyl alcohol |
1 |
A' |
3520 |
3681 |
1.046 |
163 |
541 |
|
|
2 |
A' |
3135 |
3000 |
0.957 |
163 |
542 |
|
|
3 |
A' |
2991 |
2844 |
0.951 |
163 |
543 |
|
|
4 |
A' |
1580 |
1477 |
0.935 |
163 |
544 |
|
|
5 |
A' |
1521 |
1455 |
0.956 |
163 |
545 |
|
|
6 |
A' |
1399 |
1345 |
0.961 |
163 |
546 |
|
|
7 |
A' |
1087 |
1060 |
0.975 |
163 |
547 |
|
|
8 |
A' |
1005 |
1033 |
1.028 |
163 |
548 |
|
|
9 |
A" |
3030 |
2960 |
0.977 |
163 |
549 |
|
|
10 |
A" |
1562 |
1477 |
0.946 |
163 |
550 |
|
|
11 |
A" |
1155 |
1165 |
1.008 |
163 |
551 |
|
|
12 |
A" |
387 |
200 |
0.517 |
163 |
552 |
C2H2O2 |
Ethanedial |
1 |
Ag |
2982 |
2843 |
0.953 |
164 |
553 |
|
|
2 |
Ag |
1736 |
1745 |
1.005 |
164 |
554 |
|
|
3 |
Ag |
1391 |
1338 |
0.962 |
164 |
555 |
|
|
4 |
Ag |
1024 |
1065 |
1.040 |
164 |
556 |
|
|
5 |
Ag |
550 |
551 |
1.002 |
164 |
557 |
|
|
6 |
Au |
868 |
801 |
0.923 |
164 |
558 |
|
|
7 |
Au |
203 |
127 |
0.626 |
164 |
559 |
|
|
8 |
Bg |
1118 |
1048 |
0.937 |
164 |
560 |
|
|
9 |
Bu |
2982 |
2835 |
0.951 |
164 |
561 |
|
|
10 |
Bu |
1729 |
1732 |
1.002 |
164 |
562 |
|
|
11 |
Bu |
1351 |
1312 |
0.971 |
164 |
563 |
|
|
12 |
Bu |
315 |
339 |
1.077 |
164 |
564 |
CH3SH |
Methanethiol |
1 |
A' |
3203 |
3000 |
0.937 |
165 |
565 |
|
|
2 |
A' |
3099 |
2931 |
0.946 |
165 |
566 |
|
|
3 |
A' |
2486 |
2597 |
1.045 |
165 |
567 |
|
|
4 |
A' |
1537 |
1475 |
0.960 |
165 |
568 |
|
|
5 |
A' |
1397 |
1335 |
0.956 |
165 |
569 |
|
|
6 |
A' |
1101 |
1074 |
0.975 |
165 |
570 |
|
|
7 |
A' |
794 |
803 |
1.011 |
165 |
571 |
|
|
8 |
A' |
657 |
708 |
1.077 |
165 |
572 |
|
|
9 |
A" |
3201 |
3000 |
0.937 |
165 |
573 |
|
|
10 |
A" |
1537 |
1430 |
0.931 |
165 |
574 |
|
|
11 |
A" |
987 |
976 |
0.989 |
165 |
575 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3296 |
3115 |
0.945 |
166 |
576 |
|
|
2 |
A' |
3221 |
3080 |
0.956 |
166 |
577 |
|
|
3 |
A' |
3199 |
3052 |
0.954 |
166 |
578 |
|
|
4 |
A' |
1741 |
1654 |
0.950 |
166 |
579 |
|
|
5 |
A' |
1476 |
1380 |
0.935 |
166 |
580 |
|
|
6 |
A' |
1382 |
1306 |
0.945 |
166 |
581 |
|
|
7 |
A' |
1195 |
1156 |
0.967 |
166 |
582 |
|
|
8 |
A' |
964 |
929 |
0.964 |
166 |
583 |
|
|
9 |
A' |
482 |
483 |
1.002 |
166 |
584 |
|
|
10 |
A" |
1016 |
940 |
0.925 |
166 |
585 |
|
|
11 |
A" |
940 |
863 |
0.918 |
166 |
586 |
|
|
12 |
A" |
742 |
711 |
0.958 |
166 |
587 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3242 |
3070 |
0.947 |
167 |
588 |
|
|
2 |
A1 |
1807 |
1728 |
0.956 |
167 |
589 |
|
|
3 |
A1 |
1474 |
1360 |
0.923 |
167 |
590 |
|
|
4 |
A1 |
939 |
926 |
0.986 |
167 |
591 |
|
|
5 |
A1 |
525 |
550 |
1.048 |
167 |
592 |
|
|
6 |
A2 |
734 |
714 |
0.973 |
167 |
593 |
|
|
7 |
B1 |
910 |
803 |
0.883 |
167 |
594 |
|
|
8 |
B1 |
650 |
611 |
0.940 |
167 |
595 |
|
|
9 |
B2 |
3340 |
3154 |
0.944 |
167 |
596 |
|
|
10 |
B2 |
1371 |
1302 |
0.949 |
167 |
597 |
|
|
11 |
B2 |
990 |
955 |
0.964 |
167 |
598 |
|
|
12 |
B2 |
434 |
438 |
1.009 |
167 |
599 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2393 |
2275 |
0.951 |
168 |
600 |
|
|
2 |
A1 |
1228 |
1227 |
0.999 |
168 |
601 |
|
|
3 |
A1 |
783 |
802 |
1.024 |
168 |
602 |
|
|
4 |
A1 |
501 |
522 |
1.042 |
168 |
603 |
|
|
5 |
E |
1258 |
1214 |
0.965 |
168 |
604 |
|
|
6 |
E |
646 |
618 |
0.956 |
168 |
605 |
|
|
7 |
E |
458 |
463 |
1.010 |
168 |
606 |
|
|
8 |
E |
201 |
196 |
0.976 |
168 |
607 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1922 |
1872 |
0.974 |
169 |
608 |
|
|
2 |
Ag |
781 |
778 |
0.996 |
169 |
609 |
|
|
3 |
Ag |
384 |
394 |
1.026 |
169 |
610 |
|
|
4 |
Au |
194 |
190 |
0.978 |
169 |
611 |
|
|
5 |
B1u |
1202 |
1186 |
0.987 |
169 |
612 |
|
|
6 |
B1u |
529 |
558 |
1.055 |
169 |
613 |
|
|
7 |
B2g |
577 |
508 |
0.880 |
169 |
614 |
|
|
8 |
B2u |
1381 |
1337 |
0.968 |
169 |
615 |
|
|
9 |
B2u |
209 |
218 |
1.041 |
169 |
616 |
|
|
10 |
B3g |
1352 |
1340 |
0.991 |
169 |
617 |
|
|
11 |
B3g |
532 |
551 |
1.036 |
169 |
618 |
|
|
12 |
B3u |
441 |
406 |
0.920 |
169 |
619 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
756 |
816 |
1.079 |
170 |
620 |
|
|
2 |
A1' |
709 |
648 |
0.914 |
170 |
621 |
|
|
3 |
A2" |
1042 |
947 |
0.909 |
170 |
622 |
|
|
4 |
A2" |
474 |
575 |
1.214 |
170 |
623 |
|
|
5 |
E' |
1053 |
1024 |
0.973 |
170 |
624 |
|
|
6 |
E' |
439 |
533 |
1.213 |
170 |
625 |
|
|
7 |
E' |
161 |
174 |
1.078 |
170 |
626 |
|
|
8 |
E" |
407 |
520 |
1.277 |
170 |
627 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3441 |
3602 |
1.047 |
171 |
628 |
|
|
2 |
A |
1254 |
1486 |
1.185 |
171 |
629 |
|
|
3 |
A |
1117 |
1243 |
1.113 |
171 |
630 |
|
|
4 |
A |
1031 |
1150 |
1.116 |
171 |
631 |
|
|
5 |
A |
800 |
896 |
1.120 |
171 |
632 |
|
|
6 |
A |
709 |
823 |
1.161 |
171 |
633 |
|
|
7 |
A |
411 |
562 |
1.368 |
171 |
634 |
|
|
8 |
A |
383 |
551 |
1.439 |
171 |
635 |
|
|
9 |
A |
372 |
518 |
1.394 |
171 |
636 |
|
|
10 |
A |
305 |
409 |
1.342 |
171 |
637 |
|
|
11 |
A |
264 |
390 |
1.476 |
171 |
638 |
|
|
12 |
A |
195 |
266 |
1.366 |
171 |
639 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3282 |
3121 |
0.951 |
172 |
640 |
|
|
2 |
A' |
3266 |
3086 |
0.945 |
172 |
641 |
|
|
3 |
A' |
3179 |
3030 |
0.953 |
172 |
642 |
|
|
4 |
A' |
1695 |
1608 |
0.949 |
172 |
643 |
|
|
5 |
A' |
1455 |
1368 |
0.940 |
172 |
644 |
|
|
6 |
A' |
1305 |
1279 |
0.980 |
172 |
645 |
|
|
7 |
A' |
1062 |
1030 |
0.970 |
172 |
646 |
|
|
8 |
A' |
641 |
720 |
1.123 |
172 |
647 |
|
|
9 |
A' |
390 |
395 |
1.012 |
172 |
648 |
|
|
10 |
A" |
984 |
941 |
0.957 |
172 |
649 |
|
|
11 |
A" |
976 |
896 |
0.918 |
172 |
650 |
|
|
12 |
A" |
637 |
620 |
0.974 |
172 |
651 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3197 |
3035 |
0.949 |
173 |
652 |
|
|
2 |
A1 |
1709 |
1627 |
0.952 |
173 |
653 |
|
|
3 |
A1 |
1460 |
1400 |
0.959 |
173 |
654 |
|
|
4 |
A1 |
550 |
603 |
1.097 |
173 |
655 |
|
|
5 |
A1 |
272 |
299 |
1.099 |
173 |
656 |
|
|
6 |
A2 |
710 |
686 |
0.967 |
173 |
657 |
|
|
7 |
B1 |
970 |
875 |
0.902 |
173 |
658 |
|
|
8 |
B1 |
452 |
460 |
1.017 |
173 |
659 |
|
|
9 |
B2 |
3291 |
3130 |
0.951 |
173 |
660 |
|
|
10 |
B2 |
1128 |
1095 |
0.970 |
173 |
661 |
|
|
11 |
B2 |
723 |
800 |
1.106 |
173 |
662 |
|
|
12 |
B2 |
372 |
372 |
1.000 |
173 |
663 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3285 |
3077 |
0.937 |
174 |
664 |
|
|
2 |
A1 |
1693 |
1587 |
0.938 |
174 |
665 |
|
|
3 |
A1 |
1217 |
1179 |
0.968 |
174 |
666 |
|
|
4 |
A1 |
650 |
711 |
1.094 |
174 |
667 |
|
|
5 |
A1 |
166 |
173 |
1.044 |
174 |
668 |
|
|
6 |
A2 |
949 |
876 |
0.923 |
174 |
669 |
|
|
7 |
A2 |
407 |
406 |
0.998 |
174 |
670 |
|
|
8 |
B1 |
743 |
697 |
0.938 |
174 |
671 |
|
|
9 |
B2 |
3259 |
3072 |
0.942 |
174 |
672 |
|
|
10 |
B2 |
1316 |
1303 |
0.990 |
174 |
673 |
|
|
11 |
B2 |
789 |
857 |
1.086 |
174 |
674 |
|
|
12 |
B2 |
539 |
571 |
1.060 |
174 |
675 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3293 |
3073 |
0.933 |
175 |
676 |
|
|
2 |
Ag |
1687 |
1578 |
0.935 |
175 |
677 |
|
|
3 |
Ag |
1301 |
1274 |
0.979 |
175 |
678 |
|
|
4 |
Ag |
779 |
846 |
1.086 |
175 |
679 |
|
|
5 |
Ag |
331 |
350 |
1.057 |
175 |
680 |
|
|
6 |
Au |
951 |
900 |
0.947 |
175 |
681 |
|
|
7 |
Au |
207 |
227 |
1.097 |
175 |
682 |
|
|
8 |
Bg |
830 |
763 |
0.919 |
175 |
683 |
|
|
9 |
Bu |
3288 |
3090 |
0.940 |
175 |
684 |
|
|
10 |
Bu |
1223 |
1200 |
0.981 |
175 |
685 |
|
|
11 |
Bu |
740 |
828 |
1.118 |
175 |
686 |
|
|
12 |
Bu |
225 |
250 |
1.111 |
175 |
687 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3291 |
3082 |
0.936 |
176 |
688 |
|
|
2 |
A' |
1706 |
1586 |
0.929 |
176 |
689 |
|
|
3 |
A' |
1278 |
1247 |
0.976 |
176 |
690 |
|
|
4 |
A' |
863 |
931 |
1.079 |
176 |
691 |
|
|
5 |
A' |
768 |
840 |
1.093 |
176 |
692 |
|
|
6 |
A' |
587 |
630 |
1.074 |
176 |
693 |
|
|
7 |
A' |
362 |
384 |
1.060 |
176 |
694 |
|
|
8 |
A' |
256 |
277 |
1.083 |
176 |
695 |
|
|
9 |
A' |
166 |
178 |
1.075 |
176 |
696 |
|
|
10 |
A" |
856 |
780 |
0.911 |
176 |
697 |
|
|
11 |
A" |
466 |
451 |
0.969 |
176 |
698 |
|
|
12 |
A" |
198 |
215 |
1.087 |
176 |
699 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1153 |
1122 |
0.973 |
177 |
700 |
|
|
2 |
A1 |
389 |
401 |
1.031 |
177 |
701 |
|
|
3 |
A1 |
175 |
176 |
1.004 |
177 |
702 |
|
|
5 |
B2 |
688 |
728 |
1.058 |
177 |
703 |
|
|
6 |
B2 |
293 |
289 |
0.986 |
177 |
704 |
|
|
7 |
E |
853 |
917 |
1.075 |
177 |
705 |
|
|
8 |
E |
490 |
512 |
1.046 |
177 |
706 |
|
|
9 |
E |
95 |
104 |
1.095 |
177 |
707 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1706 |
1571 |
0.921 |
178 |
708 |
|
|
2 |
Ag |
410 |
447 |
1.089 |
178 |
709 |
|
|
3 |
Ag |
222 |
237 |
1.070 |
178 |
710 |
|
|
4 |
Au |
98 |
110 |
1.124 |
178 |
711 |
|
|
5 |
B1u |
721 |
777 |
1.078 |
178 |
712 |
|
|
6 |
B1u |
288 |
310 |
1.078 |
178 |
713 |
|
|
7 |
B2g |
554 |
512 |
0.924 |
178 |
714 |
|
|
8 |
B2u |
840 |
908 |
1.082 |
178 |
715 |
|
|
9 |
B2u |
169 |
176 |
1.042 |
178 |
716 |
|
|
10 |
B3g |
922 |
1000 |
1.085 |
178 |
717 |
|
|
11 |
B3g |
339 |
347 |
1.025 |
178 |
718 |
|
|
12 |
B3u |
281 |
288 |
1.026 |
178 |
719 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
306 |
394 |
1.287 |
179 |
720 |
|
|
2 |
A1' |
254 |
264 |
1.039 |
179 |
721 |
|
|
3 |
A2" |
425 |
465 |
1.095 |
179 |
722 |
|
|
4 |
A2" |
226 |
299 |
1.322 |
179 |
723 |
|
|
5 |
E' |
467 |
592 |
1.268 |
179 |
724 |
|
|
6 |
E' |
201 |
273 |
1.362 |
179 |
725 |
|
|
7 |
E' |
59 |
100 |
1.699 |
179 |
726 |
|
|
8 |
E" |
195 |
282 |
1.449 |
179 |
727 |
CH3CCH |
propyne |
1 |
A1 |
3500 |
3334 |
0.953 |
180 |
728 |
|
|
2 |
A1 |
3050 |
2918 |
0.957 |
180 |
729 |
|
|
3 |
A1 |
2252 |
2124 |
0.943 |
180 |
730 |
|
|
4 |
A1 |
1465 |
1382 |
0.943 |
180 |
731 |
|
|
5 |
A1 |
936 |
931 |
0.995 |
180 |
732 |
|
|
6 |
E |
3116 |
3008 |
0.965 |
180 |
733 |
|
|
7 |
E |
1543 |
1452 |
0.941 |
180 |
734 |
|
|
8 |
E |
1100 |
1053 |
0.957 |
180 |
735 |
|
|
9 |
E |
725 |
633 |
0.873 |
180 |
736 |
|
|
10 |
E |
356 |
328 |
0.922 |
180 |
737 |
CH2CCH2 |
allene |
1 |
A1 |
3147 |
3015 |
0.958 |
181 |
738 |
|
|
2 |
A1 |
1522 |
1443 |
0.948 |
181 |
739 |
|
|
3 |
A1 |
1129 |
1073 |
0.951 |
181 |
740 |
|
|
4 |
B1 |
903 |
865 |
0.958 |
181 |
741 |
|
|
5 |
B2 |
3145 |
3007 |
0.956 |
181 |
742 |
|
|
6 |
B2 |
2085 |
1957 |
0.939 |
181 |
743 |
|
|
7 |
B2 |
1478 |
1398 |
0.946 |
181 |
744 |
|
|
8 |
E |
3219 |
3086 |
0.959 |
181 |
745 |
|
|
9 |
E |
1063 |
999 |
0.940 |
181 |
746 |
|
|
10 |
E |
907 |
841 |
0.927 |
181 |
747 |
|
|
11 |
E |
365 |
355 |
0.973 |
181 |
748 |
C3H4 |
cyclopropene |
1 |
A1 |
3358 |
3158 |
0.940 |
182 |
749 |
|
|
2 |
A1 |
3101 |
2909 |
0.938 |
182 |
750 |
|
|
3 |
A1 |
1714 |
1653 |
0.965 |
182 |
751 |
|
|
4 |
A1 |
1555 |
1483 |
0.954 |
182 |
752 |
|
|
5 |
A1 |
1130 |
1110 |
0.982 |
182 |
753 |
|
|
6 |
A1 |
931 |
905 |
0.972 |
182 |
754 |
|
|
7 |
A2 |
1040 |
996 |
0.957 |
182 |
755 |
|
|
8 |
A2 |
905 |
820 |
0.906 |
182 |
756 |
|
|
9 |
B1 |
3180 |
2995 |
0.942 |
182 |
757 |
|
|
10 |
B1 |
1118 |
1088 |
0.974 |
182 |
758 |
|
|
11 |
B1 |
663 |
569 |
0.858 |
182 |
759 |
|
|
12 |
B2 |
3306 |
3124 |
0.945 |
182 |
760 |
|
|
13 |
B2 |
1102 |
1043 |
0.947 |
182 |
761 |
|
|
14 |
B2 |
1060 |
1011 |
0.954 |
182 |
762 |
|
|
15 |
B2 |
753 |
769 |
1.021 |
182 |
763 |
CH3NH2 |
methyl amine |
1 |
A' |
3442 |
3361 |
0.977 |
183 |
764 |
|
|
2 |
A' |
3076 |
2961 |
0.963 |
183 |
765 |
|
|
3 |
A' |
2940 |
2820 |
0.959 |
183 |
766 |
|
|
4 |
A' |
1727 |
1623 |
0.940 |
183 |
767 |
|
|
5 |
A' |
1562 |
1473 |
0.943 |
183 |
768 |
|
|
6 |
A' |
1498 |
1430 |
0.955 |
183 |
769 |
|
|
7 |
A' |
1166 |
1130 |
0.969 |
183 |
770 |
|
|
8 |
A' |
1059 |
1044 |
0.986 |
183 |
771 |
|
|
9 |
A' |
686 |
780 |
1.137 |
183 |
772 |
|
|
10 |
A" |
3542 |
3427 |
0.967 |
183 |
773 |
|
|
11 |
A" |
3119 |
2985 |
0.957 |
183 |
774 |
|
|
12 |
A" |
1586 |
1485 |
0.936 |
183 |
775 |
|
|
13 |
A" |
1362 |
1335 |
0.980 |
183 |
776 |
|
|
14 |
A" |
993 |
|
|
183 |
777 |
|
|
15 |
A" |
326 |
268 |
0.821 |
183 |
778 |
C3H3N |
acrylonitrile |
1 |
A' |
3273 |
3125 |
0.955 |
184 |
779 |
|
|
2 |
A' |
3192 |
3078 |
0.964 |
184 |
780 |
|
|
3 |
A' |
3179 |
3042 |
0.957 |
184 |
781 |
|
|
4 |
A' |
2338 |
2239 |
0.958 |
184 |
782 |
|
|
5 |
A' |
1688 |
1615 |
0.957 |
184 |
783 |
|
|
6 |
A' |
1492 |
1416 |
0.949 |
184 |
784 |
|
|
7 |
A' |
1358 |
1282 |
0.944 |
184 |
785 |
|
|
8 |
A' |
1149 |
1096 |
0.954 |
184 |
786 |
|
|
9 |
A' |
894 |
869 |
0.972 |
184 |
787 |
|
|
10 |
A' |
627 |
570 |
0.909 |
184 |
788 |
|
|
11 |
A' |
268 |
242 |
0.905 |
184 |
789 |
|
|
12 |
A" |
1029 |
972 |
0.944 |
184 |
790 |
|
|
13 |
A" |
1008 |
954 |
0.947 |
184 |
791 |
|
|
14 |
A" |
770 |
683 |
0.887 |
184 |
792 |
|
|
15 |
A" |
403 |
362 |
0.898 |
184 |
793 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3062 |
2935 |
0.959 |
185 |
794 |
|
|
2 |
A1 |
2373 |
2275 |
0.959 |
185 |
795 |
|
|
3 |
A1 |
1493 |
1395 |
0.934 |
185 |
796 |
|
|
4 |
A1 |
919 |
890 |
0.969 |
185 |
797 |
|
|
5 |
A1 |
633 |
582 |
0.920 |
185 |
798 |
|
|
6 |
A1 |
173 |
167 |
0.967 |
185 |
799 |
|
|
7 |
A2 |
1326 |
1220 |
0.920 |
185 |
800 |
|
|
8 |
A2 |
462 |
367 |
0.795 |
185 |
801 |
|
|
9 |
B1 |
3102 |
2968 |
0.957 |
185 |
802 |
|
|
10 |
B1 |
975 |
933 |
0.957 |
185 |
803 |
|
|
11 |
B1 |
420 |
337 |
0.803 |
185 |
804 |
|
|
12 |
B2 |
2367 |
2275 |
0.961 |
185 |
805 |
|
|
13 |
B2 |
1389 |
1318 |
0.949 |
185 |
806 |
|
|
14 |
B2 |
1001 |
982 |
0.981 |
185 |
807 |
|
|
15 |
B2 |
457 |
366 |
0.800 |
185 |
808 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3617 |
3447 |
0.953 |
186 |
809 |
|
|
2 |
A' |
3332 |
3102 |
0.931 |
186 |
810 |
|
|
3 |
A' |
1441 |
1441 |
1.000 |
186 |
811 |
|
|
4 |
A' |
1373 |
1384 |
1.008 |
186 |
812 |
|
|
5 |
A' |
1220 |
1259 |
1.032 |
186 |
813 |
|
|
6 |
A' |
1152 |
1159 |
1.006 |
186 |
814 |
|
|
7 |
A' |
1085 |
1084 |
0.999 |
186 |
815 |
|
|
8 |
A' |
1015 |
1015 |
1.000 |
186 |
816 |
|
|
9 |
A' |
986 |
1002 |
1.016 |
186 |
817 |
|
|
10 |
A' |
877 |
969 |
1.105 |
186 |
818 |
|
|
11 |
A' |
795 |
925 |
1.164 |
186 |
819 |
|
|
12 |
A" |
920 |
906 |
0.984 |
186 |
820 |
|
|
13 |
A" |
691 |
663 |
0.959 |
186 |
821 |
|
|
14 |
A" |
686 |
658 |
0.959 |
186 |
822 |
|
|
15 |
A" |
645 |
578 |
0.896 |
186 |
823 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3175 |
3014 |
0.949 |
187 |
824 |
|
|
2 |
A' |
3051 |
2923 |
0.958 |
187 |
825 |
|
|
3 |
A' |
2905 |
2716 |
0.935 |
187 |
826 |
|
|
4 |
A' |
1762 |
1743 |
0.989 |
187 |
827 |
|
|
5 |
A' |
1512 |
1433 |
0.948 |
187 |
828 |
|
|
6 |
A' |
1454 |
1395 |
0.960 |
187 |
829 |
|
|
7 |
A' |
1423 |
1352 |
0.950 |
187 |
830 |
|
|
8 |
A' |
1135 |
1114 |
0.981 |
187 |
831 |
|
|
9 |
A' |
887 |
867 |
0.978 |
187 |
832 |
|
|
10 |
A' |
494 |
509 |
1.030 |
187 |
833 |
|
|
11 |
A" |
3110 |
2964 |
0.953 |
187 |
834 |
|
|
12 |
A" |
1532 |
1431 |
0.934 |
187 |
835 |
|
|
13 |
A" |
1160 |
1102 |
0.950 |
187 |
836 |
|
|
14 |
A" |
816 |
764 |
0.936 |
187 |
837 |
|
|
15 |
A" |
165 |
150 |
0.909 |
187 |
838 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3139 |
3006 |
0.958 |
188 |
839 |
|
|
2 |
A1 |
1565 |
1467 |
0.937 |
188 |
840 |
|
|
3 |
A1 |
1235 |
1267 |
1.026 |
188 |
841 |
|
|
4 |
A1 |
1131 |
1146 |
1.013 |
188 |
842 |
|
|
5 |
A1 |
846 |
857 |
1.013 |
188 |
843 |
|
|
6 |
A2 |
3217 |
3063 |
0.952 |
188 |
844 |
|
|
7 |
A2 |
1194 |
1050 |
0.880 |
188 |
845 |
|
|
8 |
A2 |
994 |
1020 |
1.026 |
188 |
846 |
|
|
9 |
B1 |
3236 |
3065 |
0.947 |
188 |
847 |
|
|
10 |
B1 |
1114 |
1146 |
1.029 |
188 |
848 |
|
|
11 |
B1 |
843 |
797 |
0.946 |
188 |
849 |
|
|
12 |
B2 |
3129 |
3006 |
0.961 |
188 |
850 |
|
|
13 |
B2 |
1543 |
1459 |
0.945 |
188 |
851 |
|
|
14 |
B2 |
1126 |
1159 |
1.030 |
188 |
852 |
|
|
15 |
B2 |
802 |
824 |
1.028 |
188 |
853 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3204 |
3043 |
0.950 |
189 |
854 |
|
|
2 |
A' |
3082 |
2955 |
0.959 |
189 |
855 |
|
|
3 |
A' |
1879 |
1870 |
0.995 |
189 |
856 |
|
|
4 |
A' |
1522 |
1440 |
0.946 |
189 |
857 |
|
|
5 |
A' |
1447 |
1378 |
0.952 |
189 |
858 |
|
|
6 |
A' |
1241 |
1188 |
0.957 |
189 |
859 |
|
|
7 |
A' |
1029 |
1000 |
0.972 |
189 |
860 |
|
|
8 |
A' |
847 |
826 |
0.976 |
189 |
861 |
|
|
9 |
A' |
589 |
598 |
1.015 |
189 |
862 |
|
|
10 |
A' |
391 |
420 |
1.075 |
189 |
863 |
|
|
11 |
A" |
3144 |
3004 |
0.955 |
189 |
864 |
|
|
12 |
A" |
1533 |
1437 |
0.937 |
189 |
865 |
|
|
13 |
A" |
1107 |
1054 |
0.952 |
189 |
866 |
|
|
14 |
A" |
579 |
567 |
0.979 |
189 |
867 |
|
|
15 |
A" |
142 |
123 |
0.869 |
189 |
868 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
668 |
774 |
1.158 |
190 |
869 |
|
|
2 |
Eg |
658 |
642 |
0.975 |
190 |
870 |
|
|
3 |
T1u |
982 |
948 |
0.965 |
190 |
871 |
|
|
4 |
T1u |
443 |
616 |
1.390 |
190 |
872 |
|
|
5 |
T2g |
372 |
525 |
1.412 |
190 |
873 |
|
|
6 |
T2u |
239 |
347 |
1.452 |
190 |
874 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3176 |
3027 |
0.953 |
191 |
875 |
|
|
2 |
A' |
3080 |
2948 |
0.957 |
191 |
876 |
|
|
3 |
A' |
1906 |
1818 |
0.954 |
191 |
877 |
|
|
4 |
A' |
1510 |
1415 |
0.937 |
191 |
878 |
|
|
5 |
A' |
1442 |
1368 |
0.949 |
191 |
879 |
|
|
6 |
A' |
1120 |
1108 |
0.989 |
191 |
880 |
|
|
7 |
A' |
943 |
956 |
1.014 |
191 |
881 |
|
|
8 |
A' |
548 |
604 |
1.102 |
191 |
882 |
|
|
9 |
A' |
386 |
445 |
1.153 |
191 |
883 |
|
|
10 |
A' |
333 |
348 |
1.046 |
191 |
884 |
|
|
11 |
A" |
3158 |
2990 |
0.947 |
191 |
885 |
|
|
12 |
A" |
1520 |
1431 |
0.942 |
191 |
886 |
|
|
13 |
A" |
1090 |
1032 |
0.947 |
191 |
887 |
|
|
14 |
A" |
518 |
518 |
0.999 |
191 |
888 |
|
|
15 |
A" |
172 |
166 |
0.968 |
191 |
889 |
C2H6 |
Ethane |
1 |
A1g |
3055 |
2954 |
0.967 |
192 |
890 |
|
|
2 |
A1g |
1455 |
1388 |
0.954 |
192 |
891 |
|
|
3 |
A1g |
991 |
995 |
1.004 |
192 |
892 |
|
|
4 |
A1u |
306 |
289 |
0.943 |
192 |
893 |
|
|
5 |
A2u |
3056 |
2896 |
0.948 |
192 |
894 |
|
|
6 |
A2u |
1462 |
1379 |
0.943 |
192 |
895 |
|
|
7 |
Eg |
3110 |
2969 |
0.955 |
192 |
896 |
|
|
8 |
Eg |
1567 |
1468 |
0.937 |
192 |
897 |
|
|
9 |
Eg |
1252 |
1190 |
0.951 |
192 |
898 |
|
|
10 |
Eu |
3138 |
2985 |
0.951 |
192 |
899 |
|
|
11 |
Eu |
1566 |
1469 |
0.938 |
192 |
900 |
|
|
12 |
Eu |
861 |
822 |
0.954 |
192 |
901 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3062 |
2898 |
0.947 |
193 |
902 |
|
|
2 |
A1 |
2174 |
2166 |
0.996 |
193 |
903 |
|
|
3 |
A1 |
1364 |
1260 |
0.924 |
193 |
904 |
|
|
4 |
A1 |
909 |
940 |
1.034 |
193 |
905 |
|
|
5 |
A1 |
695 |
700 |
1.008 |
193 |
906 |
|
|
6 |
A2 |
177 |
187 |
1.056 |
193 |
907 |
|
|
7 |
E |
3148 |
2982 |
0.947 |
193 |
908 |
|
|
8 |
E |
2183 |
2169 |
0.993 |
193 |
909 |
|
|
9 |
E |
1529 |
1403 |
0.918 |
193 |
910 |
|
|
10 |
E |
952 |
980 |
1.029 |
193 |
911 |
|
|
11 |
E |
928 |
868 |
0.936 |
193 |
912 |
|
|
12 |
E |
529 |
540 |
1.020 |
193 |
913 |
Si2H6 |
disilane |
1 |
A1g |
2184 |
2152 |
0.985 |
194 |
914 |
|
|
2 |
A1g |
877 |
909 |
1.037 |
194 |
915 |
|
|
3 |
A1g |
409 |
434 |
1.063 |
194 |
916 |
|
|
4 |
A1u |
136 |
131 |
0.960 |
194 |
917 |
|
|
5 |
A2u |
2175 |
2154 |
0.991 |
194 |
918 |
|
|
6 |
A2u |
818 |
844 |
1.032 |
194 |
919 |
|
|
7 |
Eg |
2194 |
2155 |
0.982 |
194 |
920 |
|
|
8 |
Eg |
929 |
929 |
1.000 |
194 |
921 |
|
|
9 |
Eg |
624 |
625 |
1.001 |
194 |
922 |
|
|
10 |
Eu |
2204 |
2179 |
0.988 |
194 |
923 |
|
|
11 |
Eu |
936 |
940 |
1.004 |
194 |
924 |
|
|
12 |
Eu |
395 |
379 |
0.960 |
194 |
925 |
C2H5N |
Aziridine |
1 |
A' |
3360 |
3338 |
0.993 |
195 |
926 |
|
|
2 |
A' |
3253 |
3079 |
0.946 |
195 |
927 |
|
|
3 |
A' |
3154 |
3015 |
0.956 |
195 |
928 |
|
|
4 |
A' |
1548 |
1482 |
0.957 |
195 |
929 |
|
|
5 |
A' |
1306 |
1237 |
0.947 |
195 |
930 |
|
|
6 |
A' |
1177 |
1211 |
1.029 |
195 |
931 |
|
|
7 |
A' |
1100 |
1090 |
0.991 |
195 |
932 |
|
|
8 |
A' |
998 |
998 |
1.000 |
195 |
933 |
|
|
9 |
A' |
849 |
856 |
1.009 |
195 |
934 |
|
|
10 |
A' |
719 |
773 |
1.075 |
195 |
935 |
|
|
11 |
A" |
3238 |
3079 |
0.951 |
195 |
936 |
|
|
12 |
A" |
3146 |
3015 |
0.958 |
195 |
937 |
|
|
13 |
A" |
1531 |
1463 |
0.956 |
195 |
938 |
|
|
14 |
A" |
1280 |
1268 |
0.991 |
195 |
939 |
|
|
15 |
A" |
1168 |
1131 |
0.968 |
195 |
940 |
|
|
16 |
A" |
1112 |
1095 |
0.984 |
195 |
941 |
|
|
17 |
A" |
901 |
904 |
1.003 |
195 |
942 |
|
|
18 |
A" |
808 |
817 |
1.012 |
195 |
943 |
CH3COOH |
Acetic acid |
1 |
A' |
3519 |
3583 |
1.018 |
196 |
944 |
|
|
2 |
A' |
3200 |
3051 |
0.953 |
196 |
945 |
|
|
3 |
A' |
3084 |
2944 |
0.954 |
196 |
946 |
|
|
4 |
A' |
1808 |
1788 |
0.989 |
196 |
947 |
|
|
5 |
A' |
1523 |
1430 |
0.939 |
196 |
948 |
|
|
6 |
A' |
1441 |
1382 |
0.959 |
196 |
949 |
|
|
7 |
A' |
1381 |
1264 |
0.915 |
196 |
950 |
|
|
8 |
A' |
1180 |
1182 |
1.002 |
196 |
951 |
|
|
9 |
A' |
1002 |
989 |
0.987 |
196 |
952 |
|
|
10 |
A' |
849 |
847 |
0.998 |
196 |
953 |
|
|
11 |
A' |
567 |
657 |
1.159 |
196 |
954 |
|
|
12 |
A' |
407 |
|
|
196 |
955 |
|
|
13 |
A" |
3148 |
2996 |
0.952 |
196 |
956 |
|
|
14 |
A" |
1535 |
1430 |
0.931 |
196 |
957 |
|
|
15 |
A" |
1102 |
1048 |
0.951 |
196 |
958 |
|
|
16 |
A" |
679 |
642 |
0.945 |
196 |
959 |
|
|
17 |
A" |
558 |
534 |
0.958 |
196 |
960 |
|
|
18 |
A" |
92 |
93 |
1.014 |
196 |
961 |
CH3OCHO |
methyl formate |
1 |
A' |
3200 |
3045 |
0.952 |
197 |
962 |
|
|
2 |
A' |
3086 |
2969 |
0.962 |
197 |
963 |
|
|
3 |
A' |
3077 |
2943 |
0.956 |
197 |
964 |
|
|
4 |
A' |
1750 |
1754 |
1.002 |
197 |
965 |
|
|
5 |
A' |
1556 |
1454 |
0.934 |
197 |
966 |
|
|
6 |
A' |
1483 |
1445 |
0.974 |
197 |
967 |
|
|
7 |
A' |
1399 |
1371 |
0.980 |
197 |
968 |
|
|
8 |
A' |
1195 |
1207 |
1.010 |
197 |
969 |
|
|
9 |
A' |
1162 |
1166 |
1.004 |
197 |
970 |
|
|
10 |
A' |
911 |
925 |
1.015 |
197 |
971 |
|
|
11 |
A' |
759 |
767 |
1.010 |
197 |
972 |
|
|
12 |
A' |
286 |
318 |
1.114 |
197 |
973 |
|
|
13 |
A" |
3151 |
3012 |
0.956 |
197 |
974 |
|
|
14 |
A" |
1543 |
1443 |
0.935 |
197 |
975 |
|
|
15 |
A" |
1164 |
1168 |
1.004 |
197 |
976 |
|
|
16 |
A" |
1048 |
1032 |
0.985 |
197 |
977 |
|
|
17 |
A" |
342 |
332 |
0.971 |
197 |
978 |
|
|
18 |
A" |
76 |
130 |
1.705 |
197 |
979 |
C3H3NO |
Isoxazole |
1 |
A' |
3334 |
3160 |
0.948 |
198 |
980 |
|
|
2 |
A' |
3305 |
3128 |
0.946 |
198 |
981 |
|
|
3 |
A' |
3283 |
3086 |
0.940 |
198 |
982 |
|
|
4 |
A' |
1567 |
1561 |
0.996 |
198 |
983 |
|
|
5 |
A' |
1415 |
1433 |
1.013 |
198 |
984 |
|
|
6 |
A' |
1376 |
1371 |
0.996 |
198 |
985 |
|
|
7 |
A' |
1229 |
1218 |
0.991 |
198 |
986 |
|
|
8 |
A' |
1152 |
1130 |
0.981 |
198 |
987 |
|
|
9 |
A' |
1084 |
1096 |
1.010 |
198 |
988 |
|
|
10 |
A' |
1036 |
1024 |
0.989 |
198 |
989 |
|
|
11 |
A' |
944 |
920 |
0.974 |
198 |
990 |
|
|
12 |
A' |
906 |
900 |
0.994 |
198 |
991 |
|
|
13 |
A' |
817 |
857 |
1.049 |
198 |
992 |
|
|
14 |
A" |
953 |
890 |
0.934 |
198 |
993 |
|
|
15 |
A" |
909 |
866 |
0.953 |
198 |
994 |
|
|
16 |
A" |
808 |
765 |
0.946 |
198 |
995 |
|
|
17 |
A" |
640 |
631 |
0.985 |
198 |
996 |
|
|
18 |
A" |
589 |
592 |
1.004 |
198 |
997 |
C3H3NO |
Oxazole |
1 |
A' |
3359 |
3170 |
0.944 |
199 |
998 |
|
|
2 |
A' |
3339 |
3144 |
0.941 |
199 |
999 |
|
|
3 |
A' |
3322 |
3141 |
0.946 |
199 |
1000 |
|
|
4 |
A' |
1535 |
1537 |
1.001 |
199 |
1001 |
|
|
5 |
A' |
1484 |
1504 |
1.014 |
199 |
1002 |
|
|
6 |
A' |
1335 |
1324 |
0.992 |
199 |
1003 |
|
|
7 |
A' |
1268 |
1252 |
0.987 |
199 |
1004 |
|
|
8 |
A' |
1158 |
1139 |
0.984 |
199 |
1005 |
|
|
9 |
A' |
1067 |
1086 |
1.018 |
199 |
1006 |
|
|
10 |
A' |
1041 |
1078 |
1.035 |
199 |
1007 |
|
|
11 |
A' |
1017 |
1046 |
1.029 |
199 |
1008 |
|
|
12 |
A' |
909 |
899 |
0.989 |
199 |
1009 |
|
|
13 |
A' |
898 |
854 |
0.951 |
199 |
1010 |
|
|
14 |
A" |
932 |
907 |
0.973 |
199 |
1011 |
|
|
15 |
A" |
864 |
830 |
0.960 |
199 |
1012 |
|
|
16 |
A" |
804 |
750 |
0.933 |
199 |
1013 |
|
|
17 |
A" |
667 |
647 |
0.970 |
199 |
1014 |
|
|
18 |
A" |
626 |
607 |
0.969 |
199 |
1015 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3112 |
2974 |
0.956 |
200 |
1016 |
|
|
2 |
A1 |
1487 |
1412 |
0.949 |
200 |
1017 |
|
|
3 |
A1 |
1299 |
1278 |
0.984 |
200 |
1018 |
|
|
4 |
A1 |
818 |
828 |
1.012 |
200 |
1019 |
|
|
5 |
A1 |
566 |
606 |
1.071 |
200 |
1020 |
|
|
6 |
A2 |
266 |
225 |
0.845 |
200 |
1021 |
|
|
7 |
E |
3195 |
3042 |
0.952 |
200 |
1022 |
|
|
8 |
E |
1548 |
1450 |
0.937 |
200 |
1023 |
|
|
9 |
E |
1316 |
1230 |
0.934 |
200 |
1024 |
|
|
10 |
E |
1024 |
964 |
0.941 |
200 |
1025 |
|
|
11 |
E |
515 |
540 |
1.049 |
200 |
1026 |
|
|
12 |
E |
340 |
365 |
1.074 |
200 |
1027 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1371 |
1420 |
1.036 |
201 |
1028 |
|
|
2 |
A1g |
771 |
809 |
1.049 |
201 |
1029 |
|
|
3 |
A1g |
343 |
349 |
1.017 |
201 |
1030 |
|
|
4 |
A1u |
63 |
68 |
1.072 |
201 |
1031 |
|
|
5 |
A2u |
1129 |
1117 |
0.990 |
201 |
1032 |
|
|
6 |
A2u |
662 |
714 |
1.079 |
201 |
1033 |
|
|
7 |
Eg |
1271 |
1237 |
0.973 |
201 |
1034 |
|
|
8 |
Eg |
597 |
620 |
1.038 |
201 |
1035 |
|
|
9 |
Eg |
357 |
380 |
1.064 |
201 |
1036 |
|
|
10 |
Eu |
1309 |
1251 |
0.955 |
201 |
1037 |
|
|
11 |
Eu |
492 |
523 |
1.061 |
201 |
1038 |
|
|
12 |
Eu |
205 |
216 |
1.055 |
201 |
1039 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3143 |
2967 |
0.944 |
202 |
1040 |
|
|
2 |
A' |
3129 |
2946 |
0.942 |
202 |
1041 |
|
|
3 |
A' |
3059 |
2881 |
0.942 |
202 |
1042 |
|
|
4 |
A' |
1558 |
1463 |
0.939 |
202 |
1043 |
|
|
5 |
A' |
1531 |
1448 |
0.946 |
202 |
1044 |
|
|
6 |
A' |
1464 |
1385 |
0.946 |
202 |
1045 |
|
|
7 |
A' |
1321 |
1289 |
0.976 |
202 |
1046 |
|
|
8 |
A' |
1104 |
1081 |
0.980 |
202 |
1047 |
|
|
9 |
A' |
994 |
974 |
0.980 |
202 |
1048 |
|
|
10 |
A' |
615 |
677 |
1.100 |
202 |
1049 |
|
|
11 |
A' |
327 |
336 |
1.029 |
202 |
1050 |
|
|
12 |
A" |
3212 |
3014 |
0.938 |
202 |
1051 |
|
|
13 |
A" |
3158 |
2986 |
0.946 |
202 |
1052 |
|
|
14 |
A" |
1543 |
1448 |
0.938 |
202 |
1053 |
|
|
15 |
A" |
1302 |
1251 |
0.961 |
202 |
1054 |
|
|
16 |
A" |
1076 |
974 |
0.905 |
202 |
1055 |
|
|
17 |
A" |
812 |
786 |
0.968 |
202 |
1056 |
|
|
18 |
A" |
259 |
251 |
0.968 |
202 |
1057 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
A |
3202 |
3005 |
0.938 |
203 |
1058 |
|
|
1 |
Ag |
3153 |
2957 |
0.938 |
203 |
1059 |
|
|
2 |
Ag |
1528 |
1445 |
0.946 |
203 |
1060 |
|
|
2 |
A |
3132 |
2957 |
0.944 |
203 |
1061 |
|
|
3 |
A |
1506 |
1433 |
0.952 |
203 |
1062 |
|
|
3 |
Ag |
1327 |
1304 |
0.983 |
203 |
1063 |
|
|
4 |
Ag |
1074 |
1052 |
0.979 |
203 |
1064 |
|
|
4 |
A |
1349 |
1315 |
0.975 |
203 |
1065 |
|
|
5 |
A |
1235 |
1207 |
0.977 |
203 |
1066 |
|
|
5 |
Ag |
696 |
754 |
1.084 |
203 |
1067 |
|
|
6 |
A |
1053 |
1027 |
0.975 |
203 |
1068 |
|
|
6 |
Ag |
287 |
300 |
1.047 |
203 |
1069 |
|
|
7 |
Au |
3249 |
3005 |
0.925 |
203 |
1070 |
|
|
7 |
A |
939 |
948 |
1.009 |
203 |
1071 |
|
|
8 |
A |
619 |
669 |
1.081 |
203 |
1072 |
|
|
8 |
Au |
1148 |
1123 |
0.978 |
203 |
1073 |
|
|
9 |
Au |
794 |
773 |
0.973 |
203 |
1074 |
|
|
9 |
A |
264 |
272 |
1.032 |
203 |
1075 |
|
|
10 |
A |
106 |
125 |
1.176 |
203 |
1076 |
|
|
10 |
Au |
114 |
123 |
1.076 |
203 |
1077 |
|
|
11 |
Bg |
3224 |
3005 |
0.932 |
203 |
1078 |
|
|
11 |
B |
3217 |
3005 |
0.934 |
203 |
1079 |
|
|
12 |
B |
3124 |
2957 |
0.947 |
203 |
1080 |
|
|
12 |
Bg |
1326 |
1264 |
0.953 |
203 |
1081 |
|
|
13 |
Bg |
979 |
989 |
1.010 |
203 |
1082 |
|
|
13 |
B |
1509 |
1436 |
0.951 |
203 |
1083 |
|
|
14 |
B |
1329 |
1292 |
0.972 |
203 |
1084 |
|
|
14 |
Bu |
3162 |
2983 |
0.943 |
203 |
1085 |
|
|
15 |
Bu |
1526 |
1461 |
0.957 |
203 |
1086 |
|
|
15 |
B |
1176 |
1146 |
0.975 |
203 |
1087 |
|
|
16 |
B |
887 |
890 |
1.003 |
203 |
1088 |
|
|
16 |
Bu |
1266 |
1232 |
0.973 |
203 |
1089 |
|
|
17 |
Bu |
664 |
728 |
1.097 |
203 |
1090 |
|
|
17 |
B |
639 |
693 |
1.085 |
203 |
1091 |
|
|
18 |
B |
404 |
410 |
1.016 |
203 |
1092 |
|
|
18 |
Bu |
206 |
222 |
1.079 |
203 |
1093 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3083 |
2951 |
0.957 |
204 |
1094 |
|
|
2 |
A1 |
1472 |
1386 |
0.942 |
204 |
1095 |
|
|
3 |
A1 |
1095 |
1075 |
0.982 |
204 |
1096 |
|
|
4 |
A1 |
492 |
526 |
1.068 |
204 |
1097 |
|
|
5 |
A1 |
323 |
344 |
1.066 |
204 |
1098 |
|
|
6 |
A2 |
311 |
214 |
0.688 |
204 |
1099 |
|
|
7 |
E |
3171 |
3014 |
0.951 |
204 |
1100 |
|
|
8 |
E |
1531 |
1457 |
0.952 |
204 |
1101 |
|
|
9 |
E |
1142 |
1088 |
0.952 |
204 |
1102 |
|
|
10 |
E |
681 |
724 |
1.064 |
204 |
1103 |
|
|
11 |
E |
338 |
351 |
1.038 |
204 |
1104 |
|
|
12 |
E |
228 |
239 |
1.050 |
204 |
1105 |
C3H6 |
Cyclopropane |
1 |
A1' |
3181 |
3038 |
0.955 |
205 |
1106 |
|
|
2 |
A1' |
1538 |
1479 |
0.961 |
205 |
1107 |
|
|
3 |
A1' |
1176 |
1188 |
1.010 |
205 |
1108 |
|
|
4 |
A1" |
1165 |
1126 |
0.966 |
205 |
1109 |
|
|
5 |
A2' |
1131 |
1070 |
0.946 |
205 |
1110 |
|
|
6 |
A2" |
3278 |
3103 |
0.947 |
205 |
1111 |
|
|
7 |
A2" |
866 |
854 |
0.986 |
205 |
1112 |
|
|
8 |
E' |
3171 |
3025 |
0.954 |
205 |
1113 |
|
|
9 |
E' |
1510 |
1438 |
0.952 |
205 |
1114 |
|
|
10 |
E' |
1083 |
1029 |
0.950 |
205 |
1115 |
|
|
11 |
E' |
871 |
866 |
0.994 |
205 |
1116 |
|
|
12 |
E" |
3253 |
3082 |
0.947 |
205 |
1117 |
|
|
13 |
E" |
1227 |
1188 |
0.968 |
205 |
1118 |
|
|
14 |
E" |
765 |
739 |
0.966 |
205 |
1119 |
CH2CHCH3 |
Propene |
1 |
A' |
3240 |
3090 |
0.954 |
206 |
1120 |
|
|
2 |
A' |
3160 |
3013 |
0.954 |
206 |
1121 |
|
|
3 |
A' |
3151 |
2991 |
0.949 |
206 |
1122 |
|
|
4 |
A' |
3125 |
2954 |
0.945 |
206 |
1123 |
|
|
5 |
A' |
3039 |
2871 |
0.945 |
206 |
1124 |
|
|
6 |
A' |
1727 |
1650 |
0.955 |
206 |
1125 |
|
|
7 |
A' |
1553 |
1470 |
0.947 |
206 |
1126 |
|
|
8 |
A' |
1494 |
1420 |
0.950 |
206 |
1127 |
|
|
9 |
A' |
1456 |
1378 |
0.946 |
206 |
1128 |
|
|
10 |
A' |
1366 |
1297 |
0.950 |
206 |
1129 |
|
|
11 |
A' |
1221 |
1171 |
0.959 |
206 |
1130 |
|
|
12 |
A' |
989 |
963 |
0.974 |
206 |
1131 |
|
|
13 |
A' |
926 |
920 |
0.994 |
206 |
1132 |
|
|
14 |
A' |
439 |
428 |
0.975 |
206 |
1133 |
|
|
15 |
A" |
3091 |
2954 |
0.956 |
206 |
1134 |
|
|
16 |
A" |
1543 |
1443 |
0.935 |
206 |
1135 |
|
|
17 |
A" |
1105 |
1045 |
0.945 |
206 |
1136 |
|
|
18 |
A" |
1045 |
991 |
0.948 |
206 |
1137 |
|
|
19 |
A" |
966 |
912 |
0.944 |
206 |
1138 |
|
|
20 |
A" |
598 |
578 |
0.967 |
206 |
1139 |
|
|
21 |
A" |
199 |
174 |
0.872 |
206 |
1140 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3648 |
3523 |
0.966 |
207 |
1141 |
|
|
2 |
A' |
3324 |
3155 |
0.949 |
207 |
1142 |
|
|
3 |
A' |
3297 |
3137 |
0.951 |
207 |
1143 |
|
|
4 |
A' |
3291 |
3126 |
0.950 |
207 |
1144 |
|
|
5 |
A' |
1543 |
1531 |
0.992 |
207 |
1145 |
|
|
6 |
A' |
1447 |
1447 |
1.000 |
207 |
1146 |
|
|
7 |
A' |
1404 |
1395 |
0.993 |
207 |
1147 |
|
|
8 |
A' |
1360 |
1358 |
0.998 |
207 |
1148 |
|
|
9 |
A' |
1255 |
1254 |
0.999 |
207 |
1149 |
|
|
10 |
A' |
1156 |
1159 |
1.002 |
207 |
1150 |
|
|
11 |
A' |
1136 |
1121 |
0.987 |
207 |
1151 |
|
|
12 |
A' |
1073 |
1054 |
0.983 |
207 |
1152 |
|
|
13 |
A' |
995 |
1009 |
1.014 |
207 |
1153 |
|
|
14 |
A' |
954 |
924 |
0.968 |
207 |
1154 |
|
|
15 |
A' |
935 |
908 |
0.971 |
207 |
1155 |
|
|
16 |
A" |
950 |
879 |
0.925 |
207 |
1156 |
|
|
17 |
A" |
886 |
833 |
0.940 |
207 |
1157 |
|
|
18 |
A" |
789 |
745 |
0.945 |
207 |
1158 |
|
|
19 |
A" |
686 |
674 |
0.983 |
207 |
1159 |
|
|
20 |
A" |
658 |
623 |
0.947 |
207 |
1160 |
|
|
21 |
A" |
604 |
516 |
0.854 |
207 |
1161 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3615 |
3517 |
0.973 |
208 |
1162 |
|
|
2 |
A' |
3327 |
3143 |
0.945 |
208 |
1163 |
|
|
3 |
A' |
3303 |
3123 |
0.946 |
208 |
1164 |
|
|
4 |
A' |
3300 |
3110 |
0.942 |
208 |
1165 |
|
|
5 |
A' |
1538 |
1448 |
0.941 |
208 |
1166 |
|
|
6 |
A' |
1470 |
1404 |
0.955 |
208 |
1167 |
|
|
7 |
A' |
1402 |
1328 |
0.947 |
208 |
1168 |
|
|
8 |
A' |
1333 |
1265 |
0.949 |
208 |
1169 |
|
|
9 |
A' |
1282 |
1188 |
0.927 |
208 |
1170 |
|
|
10 |
A' |
1160 |
1098 |
0.946 |
208 |
1171 |
|
|
11 |
A' |
1120 |
1062 |
0.949 |
208 |
1172 |
|
|
12 |
A' |
1097 |
1013 |
0.923 |
208 |
1173 |
|
|
13 |
A' |
1059 |
988 |
0.933 |
208 |
1174 |
|
|
14 |
A' |
964 |
923 |
0.957 |
208 |
1175 |
|
|
15 |
A' |
921 |
898 |
0.975 |
208 |
1176 |
|
|
16 |
A" |
922 |
831 |
0.902 |
208 |
1177 |
|
|
17 |
A" |
856 |
758 |
0.886 |
208 |
1178 |
|
|
18 |
A" |
780 |
674 |
0.865 |
208 |
1179 |
|
|
19 |
A" |
688 |
663 |
0.964 |
208 |
1180 |
|
|
20 |
A" |
666 |
621 |
0.932 |
208 |
1181 |
|
|
21 |
A" |
648 |
539 |
0.832 |
208 |
1182 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3234 |
3042 |
0.941 |
209 |
1183 |
|
|
2 |
A1' |
1180 |
1132 |
0.959 |
209 |
1184 |
|
|
3 |
A1' |
966 |
992 |
1.027 |
209 |
1185 |
|
|
4 |
A2' |
1409 |
1278 |
0.907 |
209 |
1186 |
|
|
5 |
A2' |
1068 |
1068 |
1.000 |
209 |
1187 |
|
|
6 |
A2" |
964 |
925 |
0.959 |
209 |
1188 |
|
|
7 |
A2" |
779 |
737 |
0.946 |
209 |
1189 |
|
|
8 |
E' |
3224 |
3056 |
0.948 |
209 |
1190 |
|
|
9 |
E' |
1508 |
1555 |
1.031 |
209 |
1191 |
|
|
10 |
E' |
1424 |
1410 |
0.991 |
209 |
1192 |
|
|
11 |
E' |
1152 |
1176 |
1.021 |
209 |
1193 |
|
|
12 |
E' |
692 |
657 |
0.949 |
209 |
1194 |
|
|
13 |
E" |
1049 |
830 |
0.791 |
209 |
1195 |
|
|
14 |
E" |
363 |
340 |
0.938 |
209 |
1196 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3142 |
2996 |
0.954 |
210 |
1197 |
|
|
2 |
A1 |
2995 |
2817 |
0.941 |
210 |
1198 |
|
|
3 |
A1 |
1584 |
1464 |
0.924 |
210 |
1199 |
|
|
4 |
A1 |
1522 |
1452 |
0.954 |
210 |
1200 |
|
|
5 |
A1 |
1247 |
1244 |
0.998 |
210 |
1201 |
|
|
6 |
A1 |
900 |
928 |
1.031 |
210 |
1202 |
|
|
7 |
A1 |
402 |
418 |
1.041 |
210 |
1203 |
|
|
8 |
A2 |
3033 |
2952 |
0.973 |
210 |
1204 |
|
|
9 |
A2 |
1541 |
1464 |
0.950 |
210 |
1205 |
|
|
10 |
A2 |
1150 |
1150 |
1.000 |
210 |
1206 |
|
|
11 |
A2 |
248 |
203 |
0.818 |
210 |
1207 |
|
|
12 |
B1 |
3031 |
2925 |
0.965 |
210 |
1208 |
|
|
13 |
B1 |
1550 |
1464 |
0.945 |
210 |
1209 |
|
|
14 |
B1 |
1183 |
1179 |
0.997 |
210 |
1210 |
|
|
15 |
B1 |
247 |
242 |
0.981 |
210 |
1211 |
|
|
16 |
B2 |
3139 |
2996 |
0.955 |
210 |
1212 |
|
|
17 |
B2 |
2983 |
2817 |
0.944 |
210 |
1213 |
|
|
18 |
B2 |
1564 |
1464 |
0.936 |
210 |
1214 |
|
|
19 |
B2 |
1480 |
1452 |
0.981 |
210 |
1215 |
|
|
20 |
B2 |
1159 |
1227 |
1.059 |
210 |
1216 |
|
|
21 |
B2 |
1095 |
1102 |
1.006 |
210 |
1217 |
C4H4O |
Furan |
1 |
A1 |
3341 |
3161 |
0.946 |
211 |
1218 |
|
|
2 |
A1 |
3302 |
3140 |
0.951 |
211 |
1219 |
|
|
3 |
A1 |
1492 |
1491 |
0.999 |
211 |
1220 |
|
|
4 |
A1 |
1404 |
1384 |
0.986 |
211 |
1221 |
|
|
5 |
A1 |
1166 |
1140 |
0.978 |
211 |
1222 |
|
|
6 |
A1 |
1079 |
1066 |
0.988 |
211 |
1223 |
|
|
7 |
A1 |
1009 |
995 |
0.986 |
211 |
1224 |
|
|
8 |
A1 |
885 |
871 |
0.985 |
211 |
1225 |
|
|
9 |
A2 |
924 |
838 |
0.907 |
211 |
1226 |
|
|
10 |
A2 |
767 |
728 |
0.950 |
211 |
1227 |
|
|
11 |
A2 |
625 |
603 |
0.964 |
211 |
1228 |
|
|
12 |
B1 |
895 |
863 |
0.964 |
211 |
1229 |
|
|
13 |
B1 |
776 |
745 |
0.960 |
211 |
1230 |
|
|
14 |
B1 |
620 |
613 |
0.989 |
211 |
1231 |
|
|
15 |
B2 |
3330 |
3154 |
0.947 |
211 |
1232 |
|
|
16 |
B2 |
3290 |
3129 |
0.951 |
211 |
1233 |
|
|
17 |
B2 |
1584 |
1556 |
0.982 |
211 |
1234 |
|
|
18 |
B2 |
1296 |
1267 |
0.978 |
211 |
1235 |
|
|
19 |
B2 |
1185 |
1180 |
0.996 |
211 |
1236 |
|
|
20 |
B2 |
1044 |
1040 |
0.996 |
211 |
1237 |
|
|
21 |
B2 |
910 |
873 |
0.959 |
211 |
1238 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3133 |
3001 |
0.958 |
212 |
1239 |
|
|
2 |
A' |
3121 |
2935 |
0.941 |
212 |
1240 |
|
|
3 |
A' |
1921 |
1882 |
0.980 |
212 |
1241 |
|
|
4 |
A' |
1554 |
1475 |
0.949 |
212 |
1242 |
|
|
5 |
A' |
1488 |
1427 |
0.959 |
212 |
1243 |
|
|
6 |
A' |
1316 |
1319 |
1.003 |
212 |
1244 |
|
|
7 |
A' |
1257 |
1199 |
0.954 |
212 |
1245 |
|
|
8 |
A' |
1038 |
1093 |
1.053 |
212 |
1246 |
|
|
9 |
A' |
991 |
1005 |
1.014 |
212 |
1247 |
|
|
10 |
A' |
892 |
924 |
1.036 |
212 |
1248 |
|
|
11 |
A' |
870 |
891 |
1.024 |
212 |
1249 |
|
|
12 |
A' |
731 |
746 |
1.020 |
212 |
1250 |
|
|
13 |
A' |
478 |
513 |
1.074 |
212 |
1251 |
|
|
14 |
A" |
3205 |
3028 |
0.945 |
212 |
1252 |
|
|
15 |
A" |
3181 |
3000 |
0.943 |
212 |
1253 |
|
|
16 |
A" |
1229 |
1184 |
0.963 |
212 |
1254 |
|
|
17 |
A" |
1126 |
1139 |
1.011 |
212 |
1255 |
|
|
18 |
A" |
1063 |
1046 |
0.984 |
212 |
1256 |
|
|
19 |
A" |
809 |
790 |
0.977 |
212 |
1257 |
|
|
20 |
A" |
517 |
490 |
0.947 |
212 |
1258 |
|
|
21 |
A" |
168 |
113 |
0.672 |
212 |
1259 |
CH3CH2SH |
ethanethiol |
1 |
A |
3175 |
2980 |
0.939 |
213 |
1260 |
|
|
1 |
A' |
3135 |
2966 |
0.946 |
213 |
1261 |
|
|
2 |
A' |
3105 |
2872 |
0.925 |
213 |
1262 |
|
|
2 |
A |
3143 |
2967 |
0.944 |
213 |
1263 |
|
|
3 |
A |
3123 |
2930 |
0.938 |
213 |
1264 |
|
|
3 |
A' |
3063 |
2872 |
0.938 |
213 |
1265 |
|
|
4 |
A' |
2477 |
2580 |
1.041 |
213 |
1266 |
|
|
4 |
A |
3107 |
2902 |
0.934 |
213 |
1267 |
|
|
5 |
A |
3054 |
2875 |
0.942 |
213 |
1268 |
|
|
5 |
A' |
1562 |
1453 |
0.930 |
213 |
1269 |
|
|
6 |
A' |
1530 |
1453 |
0.949 |
213 |
1270 |
|
|
6 |
A |
2478 |
2591 |
1.046 |
213 |
1271 |
|
|
7 |
A |
1558 |
1462 |
0.938 |
213 |
1272 |
|
|
7 |
A' |
1463 |
1385 |
0.947 |
213 |
1273 |
|
|
8 |
A' |
1323 |
1309 |
0.989 |
213 |
1274 |
|
|
8 |
A |
1552 |
1452 |
0.935 |
213 |
1275 |
|
|
9 |
A |
1528 |
1437 |
0.940 |
213 |
1276 |
|
|
9 |
A' |
1122 |
1097 |
0.977 |
213 |
1277 |
|
|
10 |
A' |
1005 |
978 |
0.973 |
213 |
1278 |
|
|
10 |
A |
1462 |
1377 |
0.942 |
213 |
1279 |
|
|
11 |
A |
1327 |
1269 |
0.956 |
213 |
1280 |
|
|
11 |
A' |
838 |
870 |
1.038 |
213 |
1281 |
|
|
12 |
A' |
632 |
660 |
1.044 |
213 |
1282 |
|
|
12 |
A |
1311 |
1246 |
0.950 |
213 |
1283 |
|
|
13 |
A |
1134 |
1093 |
0.964 |
213 |
1284 |
|
|
13 |
A' |
306 |
332 |
1.085 |
213 |
1285 |
|
|
14 |
A" |
3176 |
2966 |
0.934 |
213 |
1286 |
|
|
14 |
A |
1085 |
1051 |
0.969 |
213 |
1287 |
|
|
15 |
A |
996 |
970 |
0.974 |
213 |
1288 |
|
|
15 |
A" |
3140 |
2930 |
0.933 |
213 |
1289 |
|
|
16 |
A" |
1554 |
1453 |
0.935 |
213 |
1290 |
|
|
16 |
A |
884 |
867 |
0.981 |
213 |
1291 |
|
|
17 |
A |
748 |
735 |
0.983 |
213 |
1292 |
|
|
17 |
A" |
1309 |
1269 |
0.970 |
213 |
1293 |
|
|
18 |
A" |
1065 |
1049 |
0.985 |
213 |
1294 |
|
|
18 |
A |
624 |
658 |
1.054 |
213 |
1295 |
|
|
19 |
A" |
810 |
745 |
0.920 |
213 |
1296 |
|
|
19 |
A |
328 |
319 |
0.972 |
213 |
1297 |
|
|
20 |
A |
265 |
|
|
213 |
1298 |
|
|
21 |
A |
208 |
|
|
213 |
1299 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3187 |
2997 |
0.940 |
214 |
1300 |
|
|
2 |
A1 |
3078 |
2925 |
0.950 |
214 |
1301 |
|
|
3 |
A1 |
1540 |
1447 |
0.940 |
214 |
1302 |
|
|
4 |
A1 |
1405 |
1337 |
0.952 |
214 |
1303 |
|
|
5 |
A1 |
1073 |
1030 |
0.960 |
214 |
1304 |
|
|
6 |
A1 |
642 |
695 |
1.083 |
214 |
1305 |
|
|
7 |
A1 |
243 |
280 |
1.150 |
214 |
1306 |
|
|
8 |
A2 |
3178 |
2970 |
0.935 |
214 |
1307 |
|
|
9 |
A2 |
1525 |
1427 |
0.936 |
214 |
1308 |
|
|
10 |
A2 |
968 |
946 |
0.977 |
214 |
1309 |
|
|
11 |
A2 |
163 |
175 |
1.076 |
214 |
1310 |
|
|
12 |
B1 |
3174 |
2970 |
0.936 |
214 |
1311 |
|
|
13 |
B1 |
1535 |
1439 |
0.937 |
214 |
1312 |
|
|
14 |
B1 |
1003 |
973 |
0.970 |
214 |
1313 |
|
|
15 |
B1 |
163 |
183 |
1.120 |
214 |
1314 |
|
|
16 |
B2 |
3187 |
2999 |
0.941 |
214 |
1315 |
|
|
17 |
B2 |
3081 |
2919 |
0.947 |
214 |
1316 |
|
|
18 |
B2 |
1529 |
1442 |
0.943 |
214 |
1317 |
|
|
19 |
B2 |
1378 |
1315 |
0.954 |
214 |
1318 |
|
|
20 |
B2 |
947 |
903 |
0.954 |
214 |
1319 |
|
|
21 |
B2 |
685 |
742 |
1.083 |
214 |
1320 |
C4H4S |
Thiophene |
1 |
A1 |
3310 |
3126 |
0.944 |
215 |
1321 |
|
|
2 |
A1 |
3254 |
3098 |
0.952 |
215 |
1322 |
|
|
3 |
A1 |
1480 |
1409 |
0.952 |
215 |
1323 |
|
|
4 |
A1 |
1398 |
1360 |
0.973 |
215 |
1324 |
|
|
5 |
A1 |
1143 |
1083 |
0.948 |
215 |
1325 |
|
|
6 |
A1 |
1041 |
1036 |
0.995 |
215 |
1326 |
|
|
7 |
A1 |
796 |
872 |
1.096 |
215 |
1327 |
|
|
8 |
A1 |
609 |
608 |
0.999 |
215 |
1328 |
|
|
9 |
A2 |
968 |
867 |
0.896 |
215 |
1329 |
|
|
10 |
A2 |
741 |
688 |
0.929 |
215 |
1330 |
|
|
11 |
A2 |
590 |
567 |
0.961 |
215 |
1331 |
|
|
12 |
B1 |
938 |
839 |
0.895 |
215 |
1332 |
|
|
13 |
B1 |
753 |
712 |
0.946 |
215 |
1333 |
|
|
14 |
B1 |
446 |
452 |
1.013 |
215 |
1334 |
|
|
15 |
B2 |
3305 |
3125 |
0.945 |
215 |
1335 |
|
|
16 |
B2 |
3240 |
3086 |
0.953 |
215 |
1336 |
|
|
17 |
B2 |
1586 |
1504 |
0.948 |
215 |
1337 |
|
|
18 |
B2 |
1302 |
1256 |
0.965 |
215 |
1338 |
|
|
19 |
B2 |
1138 |
1085 |
0.954 |
215 |
1339 |
|
|
20 |
B2 |
884 |
903 |
1.021 |
215 |
1340 |
|
|
21 |
B2 |
696 |
751 |
1.079 |
215 |
1341 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3251 |
3087 |
0.950 |
216 |
1342 |
|
|
2 |
Ag |
3165 |
3003 |
0.949 |
216 |
1343 |
|
|
3 |
Ag |
3152 |
2992 |
0.949 |
216 |
1344 |
|
|
4 |
Ag |
1714 |
1630 |
0.951 |
216 |
1345 |
|
|
5 |
Ag |
1519 |
1438 |
0.947 |
216 |
1346 |
|
|
6 |
Ag |
1351 |
1280 |
0.947 |
216 |
1347 |
|
|
7 |
Ag |
1254 |
1196 |
0.953 |
216 |
1348 |
|
|
8 |
Ag |
908 |
894 |
0.984 |
216 |
1349 |
|
|
9 |
Ag |
538 |
512 |
0.952 |
216 |
1350 |
|
|
10 |
Au |
1068 |
1013 |
0.949 |
216 |
1351 |
|
|
11 |
Au |
960 |
908 |
0.946 |
216 |
1352 |
|
|
12 |
Au |
535 |
522 |
0.976 |
216 |
1353 |
|
|
13 |
Au |
171 |
162 |
0.945 |
216 |
1354 |
|
|
14 |
Bg |
1017 |
976 |
0.960 |
216 |
1355 |
|
|
15 |
Bg |
959 |
912 |
0.951 |
216 |
1356 |
|
|
16 |
Bg |
788 |
770 |
0.977 |
216 |
1357 |
|
|
17 |
Bu |
3251 |
3101 |
0.954 |
216 |
1358 |
|
|
18 |
Bu |
3168 |
3055 |
0.964 |
216 |
1359 |
|
|
19 |
Bu |
3161 |
2984 |
0.944 |
216 |
1360 |
|
|
20 |
Bu |
1671 |
1596 |
0.955 |
216 |
1361 |
|
|
21 |
Bu |
1463 |
1381 |
0.944 |
216 |
1362 |
|
|
22 |
Bu |
1365 |
1294 |
0.948 |
216 |
1363 |
|
|
23 |
Bu |
1045 |
990 |
0.947 |
216 |
1364 |
|
|
24 |
Bu |
308 |
301 |
0.976 |
216 |
1365 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3155 |
3061 |
0.970 |
217 |
1366 |
|
|
2 |
A' |
3138 |
3010 |
0.959 |
217 |
1367 |
|
|
3 |
A' |
3136 |
2965 |
0.945 |
217 |
1368 |
|
|
4 |
A' |
3047 |
2905 |
0.953 |
217 |
1369 |
|
|
5 |
A' |
2089 |
1970 |
0.943 |
217 |
1370 |
|
|
6 |
A' |
1556 |
1453 |
0.934 |
217 |
1371 |
|
|
7 |
A' |
1515 |
1437 |
0.948 |
217 |
1372 |
|
|
8 |
A' |
1451 |
1389 |
0.957 |
217 |
1373 |
|
|
9 |
A' |
1395 |
1330 |
0.954 |
217 |
1374 |
|
|
10 |
A' |
1171 |
1132 |
0.967 |
217 |
1375 |
|
|
11 |
A' |
1118 |
1074 |
0.961 |
217 |
1376 |
|
|
12 |
A' |
909 |
876 |
0.963 |
217 |
1377 |
|
|
13 |
A' |
885 |
859 |
0.971 |
217 |
1378 |
|
|
14 |
A' |
578 |
555 |
0.961 |
217 |
1379 |
|
|
15 |
A' |
209 |
210 |
1.003 |
217 |
1380 |
|
|
16 |
A" |
3209 |
3061 |
0.954 |
217 |
1381 |
|
|
17 |
A" |
3101 |
2965 |
0.956 |
217 |
1382 |
|
|
18 |
A" |
1546 |
1453 |
0.940 |
217 |
1383 |
|
|
19 |
A" |
1096 |
1110 |
1.013 |
217 |
1384 |
|
|
20 |
A" |
1065 |
1011 |
0.950 |
217 |
1385 |
|
|
21 |
A" |
916 |
842 |
0.919 |
217 |
1386 |
|
|
22 |
A" |
547 |
523 |
0.956 |
217 |
1387 |
|
|
23 |
A" |
334 |
322 |
0.965 |
217 |
1388 |
C4H6 |
Cyclobutene |
1 |
A1 |
3263 |
3060 |
0.938 |
218 |
1389 |
|
|
2 |
A1 |
3091 |
2935 |
0.950 |
218 |
1390 |
|
|
3 |
A1 |
1623 |
1570 |
0.967 |
218 |
1391 |
|
|
4 |
A1 |
1519 |
1450 |
0.955 |
218 |
1392 |
|
|
5 |
A1 |
1217 |
1276 |
1.048 |
218 |
1393 |
|
|
6 |
A1 |
1131 |
1186 |
1.049 |
218 |
1394 |
|
|
7 |
A1 |
989 |
1113 |
1.126 |
218 |
1395 |
|
|
8 |
A1 |
866 |
886 |
1.024 |
218 |
1396 |
|
|
9 |
A2 |
3136 |
2955 |
0.942 |
218 |
1397 |
|
|
10 |
A2 |
1191 |
1276 |
1.071 |
218 |
1398 |
|
|
11 |
A2 |
1041 |
1081 |
1.039 |
218 |
1399 |
|
|
12 |
A2 |
963 |
850 |
0.882 |
218 |
1400 |
|
|
13 |
A2 |
318 |
325 |
1.022 |
218 |
1401 |
|
|
14 |
B1 |
3152 |
2955 |
0.937 |
218 |
1402 |
|
|
15 |
B1 |
1131 |
1074 |
0.950 |
218 |
1403 |
|
|
16 |
B1 |
881 |
846 |
0.960 |
218 |
1404 |
|
|
17 |
B1 |
669 |
635 |
0.950 |
218 |
1405 |
|
|
18 |
B2 |
3225 |
3047 |
0.945 |
218 |
1406 |
|
|
19 |
B2 |
3084 |
2916 |
0.946 |
218 |
1407 |
|
|
20 |
B2 |
1502 |
1427 |
0.950 |
218 |
1408 |
|
|
21 |
B2 |
1314 |
1294 |
0.985 |
218 |
1409 |
|
|
22 |
B2 |
1257 |
1214 |
0.966 |
218 |
1410 |
|
|
23 |
B2 |
898 |
888 |
0.989 |
218 |
1411 |
|
|
24 |
B2 |
872 |
740 |
0.848 |
218 |
1412 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3153 |
3010 |
0.955 |
219 |
1413 |
|
|
2 |
A1 |
3151 |
3002 |
0.953 |
219 |
1414 |
|
|
3 |
A1 |
1856 |
1743 |
0.939 |
219 |
1415 |
|
|
4 |
A1 |
1521 |
1437 |
0.945 |
219 |
1416 |
|
|
5 |
A1 |
1491 |
1410 |
0.945 |
219 |
1417 |
|
|
6 |
A1 |
1070 |
1036 |
0.968 |
219 |
1418 |
|
|
7 |
A1 |
1034 |
1002 |
0.969 |
219 |
1419 |
|
|
8 |
A1 |
726 |
723 |
0.996 |
219 |
1420 |
|
|
9 |
A2 |
3229 |
3051 |
0.945 |
219 |
1421 |
|
|
10 |
A2 |
1180 |
1144 |
0.969 |
219 |
1422 |
|
|
11 |
A2 |
983 |
937 |
0.953 |
219 |
1423 |
|
|
12 |
A2 |
641 |
616 |
0.962 |
219 |
1424 |
|
|
13 |
B1 |
3244 |
3071 |
0.947 |
219 |
1425 |
|
|
14 |
B1 |
1132 |
1072 |
0.947 |
219 |
1426 |
|
|
15 |
B1 |
957 |
889 |
0.929 |
219 |
1427 |
|
|
16 |
B1 |
779 |
748 |
0.961 |
219 |
1428 |
|
|
17 |
B1 |
329 |
360 |
1.095 |
219 |
1429 |
|
|
18 |
B2 |
3232 |
3086 |
0.955 |
219 |
1430 |
|
|
19 |
B2 |
3149 |
2999 |
0.952 |
219 |
1431 |
|
|
20 |
B2 |
1486 |
1353 |
0.911 |
219 |
1432 |
|
|
21 |
B2 |
1177 |
1174 |
0.998 |
219 |
1433 |
|
|
22 |
B2 |
1108 |
1125 |
1.015 |
219 |
1434 |
|
|
23 |
B2 |
901 |
792 |
0.879 |
219 |
1435 |
|
|
24 |
B2 |
369 |
290 |
0.785 |
219 |
1436 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3422 |
3345 |
0.977 |
220 |
1437 |
|
|
2 |
A' |
3118 |
2985 |
0.957 |
220 |
1438 |
|
|
3 |
A' |
3061 |
2840 |
0.928 |
220 |
1439 |
|
|
4 |
A' |
3042 |
2860 |
0.940 |
220 |
1440 |
|
|
5 |
A' |
1723 |
1622 |
0.941 |
220 |
1441 |
|
|
6 |
A' |
1558 |
1487 |
0.954 |
220 |
1442 |
|
|
7 |
A' |
1539 |
1465 |
0.952 |
220 |
1443 |
|
|
8 |
A' |
1446 |
1378 |
0.953 |
220 |
1444 |
|
|
9 |
A' |
1397 |
1397 |
1.000 |
220 |
1445 |
|
|
10 |
A' |
1161 |
1016 |
0.875 |
220 |
1446 |
|
|
11 |
A' |
1042 |
1086 |
1.042 |
220 |
1447 |
|
|
12 |
A' |
892 |
892 |
1.000 |
220 |
1448 |
|
|
13 |
A' |
709 |
773 |
1.090 |
220 |
1449 |
|
|
14 |
A' |
392 |
403 |
1.028 |
220 |
1450 |
|
|
15 |
A" |
3523 |
3412 |
0.968 |
220 |
1451 |
|
|
16 |
A" |
3126 |
2924 |
0.935 |
220 |
1452 |
|
|
17 |
A" |
3094 |
2906 |
0.939 |
220 |
1453 |
|
|
18 |
A" |
1558 |
1455 |
0.934 |
220 |
1454 |
|
|
19 |
A" |
1409 |
1238 |
0.878 |
220 |
1455 |
|
|
20 |
A" |
1298 |
1293 |
0.996 |
220 |
1456 |
|
|
21 |
A" |
1026 |
1117 |
1.089 |
220 |
1457 |
|
|
22 |
A" |
790 |
816 |
1.033 |
220 |
1458 |
|
|
23 |
A" |
311 |
259 |
0.832 |
220 |
1459 |
|
|
24 |
A" |
257 |
218 |
0.849 |
220 |
1460 |
C4H5N |
Pyrrole |
1 |
A1 |
3634 |
3531 |
0.972 |
221 |
1461 |
|
|
2 |
A1 |
3311 |
3149 |
0.951 |
221 |
1462 |
|
|
3 |
A1 |
3285 |
3128 |
0.952 |
221 |
1463 |
|
|
4 |
A1 |
1490 |
1472 |
0.988 |
221 |
1464 |
|
|
5 |
A1 |
1414 |
1401 |
0.991 |
221 |
1465 |
|
|
6 |
A1 |
1171 |
1148 |
0.981 |
221 |
1466 |
|
|
7 |
A1 |
1112 |
1075 |
0.966 |
221 |
1467 |
|
|
8 |
A1 |
1040 |
1017 |
0.978 |
221 |
1468 |
|
|
9 |
A1 |
930 |
882 |
0.948 |
221 |
1469 |
|
|
10 |
A2 |
918 |
864 |
0.941 |
221 |
1470 |
|
|
11 |
A2 |
728 |
692 |
0.951 |
221 |
1471 |
|
|
12 |
A2 |
643 |
614 |
0.954 |
221 |
1472 |
|
|
13 |
B1 |
877 |
827 |
0.943 |
221 |
1473 |
|
|
14 |
B1 |
754 |
722 |
0.958 |
221 |
1474 |
|
|
15 |
B1 |
651 |
621 |
0.953 |
221 |
1475 |
|
|
16 |
B1 |
610 |
475 |
0.779 |
221 |
1476 |
|
|
17 |
B2 |
3301 |
3143 |
0.952 |
221 |
1477 |
|
|
18 |
B2 |
3274 |
3119 |
0.952 |
221 |
1478 |
|
|
19 |
B2 |
1578 |
1519 |
0.962 |
221 |
1479 |
|
|
20 |
B2 |
1445 |
1424 |
0.986 |
221 |
1480 |
|
|
21 |
B2 |
1331 |
1288 |
0.968 |
221 |
1481 |
|
|
22 |
B2 |
1182 |
1134 |
0.960 |
221 |
1482 |
|
|
23 |
B2 |
1075 |
1049 |
0.976 |
221 |
1483 |
|
|
24 |
B2 |
913 |
866 |
0.948 |
221 |
1484 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3288 |
3120 |
0.949 |
222 |
1485 |
|
|
2 |
A' |
3213 |
3052 |
0.950 |
222 |
1486 |
|
|
3 |
A' |
3187 |
3044 |
0.955 |
222 |
1487 |
|
|
4 |
A' |
2350 |
2264 |
0.963 |
222 |
1488 |
|
|
5 |
A' |
1524 |
1468 |
0.964 |
222 |
1489 |
|
|
6 |
A' |
1392 |
1344 |
0.965 |
222 |
1490 |
|
|
7 |
A' |
1191 |
1195 |
1.003 |
222 |
1491 |
|
|
8 |
A' |
1167 |
1125 |
0.964 |
222 |
1492 |
|
|
9 |
A' |
1093 |
1049 |
0.959 |
222 |
1493 |
|
|
10 |
A' |
956 |
941 |
0.984 |
222 |
1494 |
|
|
11 |
A' |
826 |
808 |
0.979 |
222 |
1495 |
|
|
12 |
A' |
772 |
736 |
0.954 |
222 |
1496 |
|
|
13 |
A' |
566 |
527 |
0.931 |
222 |
1497 |
|
|
14 |
A' |
238 |
222 |
0.932 |
222 |
1498 |
|
|
15 |
A" |
3272 |
3094 |
0.946 |
222 |
1499 |
|
|
16 |
A" |
3183 |
3040 |
0.955 |
222 |
1500 |
|
|
17 |
A" |
1506 |
1442 |
0.957 |
222 |
1501 |
|
|
18 |
A" |
1216 |
1180 |
0.971 |
222 |
1502 |
|
|
19 |
A" |
1141 |
1070 |
0.938 |
222 |
1503 |
|
|
20 |
A" |
1114 |
1088 |
0.977 |
222 |
1504 |
|
|
21 |
A" |
914 |
880 |
0.963 |
222 |
1505 |
|
|
22 |
A" |
829 |
821 |
0.990 |
222 |
1506 |
|
|
23 |
A" |
609 |
543 |
0.891 |
222 |
1507 |
|
|
24 |
A" |
238 |
222 |
0.931 |
222 |
1508 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3243 |
3063 |
0.944 |
223 |
1509 |
|
|
2 |
A1 |
3213 |
3043 |
0.947 |
223 |
1510 |
|
|
3 |
A1 |
1606 |
1572 |
0.979 |
223 |
1511 |
|
|
4 |
A1 |
1450 |
1414 |
0.975 |
223 |
1512 |
|
|
5 |
A1 |
1220 |
1283 |
1.051 |
223 |
1513 |
|
|
6 |
A1 |
1152 |
1160 |
1.007 |
223 |
1514 |
|
|
7 |
A1 |
1065 |
1063 |
0.998 |
223 |
1515 |
|
|
8 |
A1 |
891 |
964 |
1.082 |
223 |
1516 |
|
|
9 |
A1 |
694 |
619 |
0.892 |
223 |
1517 |
|
|
10 |
A2 |
1068 |
936 |
0.876 |
223 |
1518 |
|
|
11 |
A2 |
974 |
863 |
0.886 |
223 |
1519 |
|
|
12 |
A2 |
787 |
751 |
0.954 |
223 |
1520 |
|
|
13 |
A2 |
370 |
421 |
1.137 |
223 |
1521 |
|
|
14 |
B1 |
1024 |
|
|
223 |
1522 |
|
|
15 |
B1 |
784 |
760 |
0.969 |
223 |
1523 |
|
|
16 |
B1 |
383 |
370 |
0.966 |
223 |
1524 |
|
|
17 |
B2 |
3227 |
3075 |
0.953 |
223 |
1525 |
|
|
18 |
B2 |
3208 |
3043 |
0.948 |
223 |
1526 |
|
|
19 |
B2 |
1571 |
1565 |
0.996 |
223 |
1527 |
|
|
20 |
B2 |
1453 |
1444 |
0.994 |
223 |
1528 |
|
|
21 |
B2 |
1318 |
1239 |
0.940 |
223 |
1529 |
|
|
22 |
B2 |
1091 |
1052 |
0.965 |
223 |
1530 |
|
|
23 |
B2 |
1045 |
1009 |
0.966 |
223 |
1531 |
|
|
24 |
B2 |
640 |
664 |
1.038 |
223 |
1532 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3241 |
3082 |
0.951 |
224 |
1533 |
|
|
2 |
A1 |
3221 |
3053 |
0.948 |
224 |
1534 |
|
|
3 |
A1 |
3195 |
3049 |
0.954 |
224 |
1535 |
|
|
4 |
A1 |
1569 |
1572 |
1.002 |
224 |
1536 |
|
|
5 |
A1 |
1424 |
1465 |
1.029 |
224 |
1537 |
|
|
6 |
A1 |
1172 |
1155 |
0.985 |
224 |
1538 |
|
|
7 |
A1 |
1095 |
1065 |
0.973 |
224 |
1539 |
|
|
8 |
A1 |
985 |
969 |
0.984 |
224 |
1540 |
|
|
9 |
A1 |
708 |
679 |
0.959 |
224 |
1541 |
|
|
10 |
A2 |
1026 |
960 |
0.936 |
224 |
1542 |
|
|
11 |
A2 |
422 |
398 |
0.943 |
224 |
1543 |
|
|
12 |
B1 |
1071 |
1033 |
0.965 |
224 |
1544 |
|
|
13 |
B1 |
1019 |
980 |
0.962 |
224 |
1545 |
|
|
14 |
B1 |
850 |
804 |
0.945 |
224 |
1546 |
|
|
15 |
B1 |
768 |
719 |
0.936 |
224 |
1547 |
|
|
16 |
B1 |
362 |
347 |
0.959 |
224 |
1548 |
|
|
17 |
B2 |
3198 |
3047 |
0.953 |
224 |
1549 |
|
|
18 |
B2 |
1572 |
1569 |
0.998 |
224 |
1550 |
|
|
19 |
B2 |
1490 |
1411 |
0.947 |
224 |
1551 |
|
|
20 |
B2 |
1415 |
1356 |
0.958 |
224 |
1552 |
|
|
21 |
B2 |
1253 |
1224 |
0.977 |
224 |
1553 |
|
|
22 |
B2 |
1173 |
1158 |
0.987 |
224 |
1554 |
|
|
23 |
B2 |
1087 |
1071 |
0.985 |
224 |
1555 |
|
|
24 |
B2 |
647 |
621 |
0.959 |
224 |
1556 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3227 |
3055 |
0.947 |
225 |
1557 |
|
|
2 |
Ag |
1572 |
1580 |
1.005 |
225 |
1558 |
|
|
3 |
Ag |
1271 |
1233 |
0.970 |
225 |
1559 |
|
|
4 |
Ag |
1031 |
1016 |
0.985 |
225 |
1560 |
|
|
5 |
Ag |
626 |
602 |
0.962 |
225 |
1561 |
|
|
6 |
Au |
1053 |
960 |
0.912 |
225 |
1562 |
|
|
7 |
Au |
343 |
350 |
1.022 |
225 |
1563 |
|
|
8 |
B1g |
976 |
927 |
0.950 |
225 |
1564 |
|
|
9 |
B1u |
3202 |
3012 |
0.941 |
225 |
1565 |
|
|
10 |
B1u |
1508 |
1483 |
0.983 |
225 |
1566 |
|
|
11 |
B1u |
1167 |
1130 |
0.968 |
225 |
1567 |
|
|
12 |
B1u |
1015 |
1018 |
1.003 |
225 |
1568 |
|
|
13 |
B2g |
1050 |
983 |
0.936 |
225 |
1569 |
|
|
14 |
B2g |
808 |
756 |
0.935 |
225 |
1570 |
|
|
15 |
B2u |
3217 |
3069 |
0.954 |
225 |
1571 |
|
|
16 |
B2u |
1446 |
1411 |
0.976 |
225 |
1572 |
|
|
17 |
B2u |
1190 |
1149 |
0.966 |
225 |
1573 |
|
|
18 |
B2u |
1086 |
1063 |
0.978 |
225 |
1574 |
|
|
19 |
B3g |
3198 |
3040 |
0.951 |
225 |
1575 |
|
|
20 |
B3g |
1525 |
1525 |
1.000 |
225 |
1576 |
|
|
21 |
B3g |
1399 |
1346 |
0.962 |
225 |
1577 |
|
|
22 |
B3g |
731 |
704 |
0.963 |
225 |
1578 |
|
|
23 |
B3u |
832 |
785 |
0.943 |
225 |
1579 |
|
|
24 |
B3u |
448 |
418 |
0.934 |
225 |
1580 |
CH3COCH3 |
Acetone |
1 |
A1 |
3175 |
3019 |
0.951 |
226 |
1581 |
|
|
2 |
A1 |
3061 |
2937 |
0.960 |
226 |
1582 |
|
|
3 |
A1 |
1768 |
1731 |
0.979 |
226 |
1583 |
|
|
4 |
A1 |
1516 |
1435 |
0.947 |
226 |
1584 |
|
|
5 |
A1 |
1429 |
1364 |
0.954 |
226 |
1585 |
|
|
6 |
A1 |
1106 |
1066 |
0.964 |
226 |
1586 |
|
|
7 |
A1 |
771 |
777 |
1.007 |
226 |
1587 |
|
|
8 |
A1 |
384 |
385 |
1.003 |
226 |
1588 |
|
|
9 |
A2 |
3115 |
2963 |
0.951 |
226 |
1589 |
|
|
10 |
A2 |
1524 |
1426 |
0.935 |
226 |
1590 |
|
|
11 |
A2 |
929 |
877 |
0.944 |
226 |
1591 |
|
|
12 |
A2 |
64 |
77 |
1.209 |
226 |
1592 |
|
|
13 |
B1 |
3124 |
2972 |
0.951 |
226 |
1593 |
|
|
14 |
B1 |
1551 |
1454 |
0.938 |
226 |
1594 |
|
|
15 |
B1 |
1151 |
1091 |
0.948 |
226 |
1595 |
|
|
16 |
B1 |
512 |
484 |
0.946 |
226 |
1596 |
|
|
17 |
B1 |
154 |
125 |
0.811 |
226 |
1597 |
|
|
18 |
B2 |
3174 |
3019 |
0.951 |
226 |
1598 |
|
|
19 |
B2 |
3054 |
2937 |
0.962 |
226 |
1599 |
|
|
20 |
B2 |
1511 |
1410 |
0.933 |
226 |
1600 |
|
|
21 |
B2 |
1420 |
1364 |
0.961 |
226 |
1601 |
|
|
22 |
B2 |
1227 |
1216 |
0.991 |
226 |
1602 |
|
|
23 |
B2 |
901 |
891 |
0.989 |
226 |
1603 |
|
|
24 |
B2 |
512 |
530 |
1.036 |
226 |
1604 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3526 |
3675 |
1.042 |
227 |
1605 |
|
|
2 |
A |
3243 |
3102 |
0.956 |
227 |
1606 |
|
|
3 |
A |
3188 |
3022 |
0.948 |
227 |
1607 |
|
|
4 |
A |
3157 |
2995 |
0.949 |
227 |
1608 |
|
|
5 |
A |
3015 |
2934 |
0.973 |
227 |
1609 |
|
|
6 |
A |
2969 |
2866 |
0.965 |
227 |
1610 |
|
|
7 |
A |
1728 |
1654 |
0.957 |
227 |
1611 |
|
|
8 |
A |
1564 |
1453 |
0.929 |
227 |
1612 |
|
|
9 |
A |
1505 |
1414 |
0.939 |
227 |
1613 |
|
|
10 |
A |
1453 |
1384 |
0.952 |
227 |
1614 |
|
|
11 |
A |
1341 |
1320 |
0.984 |
227 |
1615 |
|
|
12 |
A |
1288 |
1293 |
1.004 |
227 |
1616 |
|
|
13 |
A |
1249 |
1191 |
0.953 |
227 |
1617 |
|
|
14 |
A |
1161 |
1132 |
0.975 |
227 |
1618 |
|
|
15 |
A |
1048 |
1110 |
1.059 |
227 |
1619 |
|
|
16 |
A |
1033 |
1038 |
1.004 |
227 |
1620 |
|
|
17 |
A |
993 |
995 |
1.002 |
227 |
1621 |
|
|
18 |
A |
973 |
919 |
0.945 |
227 |
1622 |
|
|
19 |
A |
919 |
885 |
0.963 |
227 |
1623 |
|
|
20 |
A |
638 |
606 |
0.949 |
227 |
1624 |
|
|
22 |
A |
311 |
377 |
1.213 |
227 |
1625 |
|
|
23 |
A |
282 |
277 |
0.982 |
227 |
1626 |
|
|
24 |
A |
104 |
188 |
1.811 |
227 |
1627 |
CH3CH2CHO |
Propanal |
1 |
A' |
3151 |
2981 |
0.946 |
228 |
1628 |
|
|
2 |
A' |
3076 |
2904 |
0.944 |
228 |
1629 |
|
|
3 |
A' |
3038 |
2895 |
0.953 |
228 |
1630 |
|
|
4 |
A' |
2911 |
2809 |
0.965 |
228 |
1631 |
|
|
5 |
A' |
1752 |
1743 |
0.995 |
228 |
1632 |
|
|
6 |
A' |
1558 |
1460 |
0.937 |
228 |
1633 |
|
|
7 |
A' |
1497 |
1416 |
0.946 |
228 |
1634 |
|
|
8 |
A' |
1465 |
1390 |
0.949 |
228 |
1635 |
|
|
9 |
A' |
1440 |
1376 |
0.956 |
228 |
1636 |
|
|
10 |
A' |
1364 |
1335 |
0.979 |
228 |
1637 |
|
|
11 |
A' |
1123 |
1093 |
0.973 |
228 |
1638 |
|
|
12 |
A' |
1028 |
993 |
0.966 |
228 |
1639 |
|
|
13 |
A' |
858 |
848 |
0.988 |
228 |
1640 |
|
|
14 |
A' |
687 |
668 |
0.972 |
228 |
1641 |
|
|
15 |
A' |
267 |
271 |
1.014 |
228 |
1642 |
|
|
16 |
A" |
3151 |
2992 |
0.950 |
228 |
1643 |
|
|
17 |
A" |
3068 |
2942 |
0.959 |
228 |
1644 |
|
|
18 |
A" |
1558 |
1451 |
0.931 |
228 |
1645 |
|
|
19 |
A" |
1316 |
1250 |
0.950 |
228 |
1646 |
|
|
20 |
A" |
1169 |
1118 |
0.956 |
228 |
1647 |
|
|
21 |
A" |
938 |
892 |
0.951 |
228 |
1648 |
|
|
22 |
A" |
699 |
660 |
0.944 |
228 |
1649 |
|
|
23 |
A" |
238 |
220 |
0.923 |
228 |
1650 |
|
|
24 |
A" |
122 |
135 |
1.106 |
228 |
1651 |
C3H6O |
Oxetane |
1 |
A1 |
3116 |
2959 |
0.950 |
229 |
1652 |
|
|
2 |
A1 |
3077 |
2930 |
0.952 |
229 |
1653 |
|
|
3 |
A1 |
1591 |
1473 |
0.926 |
229 |
1654 |
|
|
4 |
A1 |
1525 |
1461 |
0.958 |
229 |
1655 |
|
|
5 |
A1 |
1365 |
1342 |
0.983 |
229 |
1656 |
|
|
6 |
A1 |
1016 |
1134 |
1.116 |
229 |
1657 |
|
|
7 |
A1 |
875 |
1018 |
1.164 |
229 |
1658 |
|
|
8 |
A1 |
804 |
908 |
1.129 |
229 |
1659 |
|
|
9 |
A2 |
3123 |
3000 |
0.961 |
229 |
1660 |
|
|
10 |
A2 |
1272 |
1283 |
1.009 |
229 |
1661 |
|
|
11 |
A2 |
1135 |
1185 |
1.044 |
229 |
1662 |
|
|
12 |
A2 |
877 |
986 |
1.124 |
229 |
1663 |
|
|
13 |
B1 |
3179 |
3007 |
0.946 |
229 |
1664 |
|
|
14 |
B1 |
3122 |
2940 |
0.942 |
229 |
1665 |
|
|
15 |
B1 |
1210 |
1225 |
1.012 |
229 |
1666 |
|
|
16 |
B1 |
1096 |
1142 |
1.042 |
229 |
1667 |
|
|
17 |
B1 |
767 |
836 |
1.090 |
229 |
1668 |
|
|
18 |
B1 |
93 |
90 |
0.961 |
229 |
1669 |
|
|
19 |
B2 |
3067 |
2966 |
0.967 |
229 |
1670 |
|
|
20 |
B2 |
1560 |
1508 |
0.967 |
229 |
1671 |
|
|
21 |
B2 |
1307 |
1458 |
1.115 |
229 |
1672 |
|
|
22 |
B2 |
1280 |
1363 |
1.065 |
229 |
1673 |
|
|
23 |
B2 |
990 |
1228 |
1.240 |
229 |
1674 |
|
|
24 |
B2 |
930 |
936 |
1.006 |
229 |
1675 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3163 |
3018 |
0.954 |
230 |
1676 |
|
|
2 |
A |
3122 |
2985 |
0.956 |
230 |
1677 |
|
|
3 |
A |
3079 |
2958 |
0.961 |
230 |
1678 |
|
|
4 |
A |
3018 |
2945 |
0.976 |
230 |
1679 |
|
|
5 |
A |
3015 |
2922 |
0.969 |
230 |
1680 |
|
|
6 |
A |
2348 |
2245 |
0.956 |
230 |
1681 |
|
|
7 |
A |
1570 |
1472 |
0.938 |
230 |
1682 |
|
|
8 |
A |
1545 |
1452 |
0.940 |
230 |
1683 |
|
|
9 |
A |
1524 |
1439 |
0.944 |
230 |
1684 |
|
|
10 |
A |
1502 |
1431 |
0.953 |
230 |
1685 |
|
|
11 |
A |
1393 |
1368 |
0.982 |
230 |
1686 |
|
|
12 |
A |
1323 |
1287 |
0.973 |
230 |
1687 |
|
|
13 |
A |
1197 |
1199 |
1.001 |
230 |
1688 |
|
|
14 |
A |
1165 |
1161 |
0.997 |
230 |
1689 |
|
|
15 |
A |
1108 |
1127 |
1.017 |
230 |
1690 |
|
|
16 |
A |
1036 |
1016 |
0.981 |
230 |
1691 |
|
|
17 |
A |
918 |
925 |
1.007 |
230 |
1692 |
|
|
18 |
A |
893 |
890 |
0.997 |
230 |
1693 |
|
|
19 |
A |
625 |
586 |
0.938 |
230 |
1694 |
|
|
20 |
A |
446 |
404 |
0.906 |
230 |
1695 |
|
|
21 |
A |
386 |
347 |
0.898 |
230 |
1696 |
|
|
22 |
A |
264 |
243 |
0.919 |
230 |
1697 |
|
|
23 |
A |
191 |
170 |
0.890 |
230 |
1698 |
|
|
24 |
A |
126 |
113 |
0.899 |
230 |
1699 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3208 |
2990 |
0.932 |
231 |
1700 |
|
|
2 |
A |
3184 |
2983 |
0.937 |
231 |
1701 |
|
|
3 |
A |
3087 |
2913 |
0.944 |
231 |
1702 |
|
|
4 |
A |
1525 |
1426 |
0.935 |
231 |
1703 |
|
|
5 |
A |
1520 |
1419 |
0.933 |
231 |
1704 |
|
|
6 |
A |
1389 |
1311 |
0.944 |
231 |
1705 |
|
|
7 |
A |
998 |
955 |
0.957 |
231 |
1706 |
|
|
8 |
A |
991 |
949 |
0.958 |
231 |
1707 |
|
|
9 |
A |
648 |
694 |
1.072 |
231 |
1708 |
|
|
10 |
A |
433 |
509 |
1.177 |
231 |
1709 |
|
|
11 |
A |
195 |
240 |
1.229 |
231 |
1710 |
|
|
12 |
A |
115 |
134 |
1.163 |
231 |
1711 |
|
|
13 |
A |
75 |
117 |
1.554 |
231 |
1712 |
|
|
14 |
B |
3208 |
2990 |
0.932 |
231 |
1713 |
|
|
15 |
B |
3184 |
2983 |
0.937 |
231 |
1714 |
|
|
16 |
B |
3086 |
2915 |
0.945 |
231 |
1715 |
|
|
17 |
B |
1530 |
1430 |
0.935 |
231 |
1716 |
|
|
18 |
B |
1514 |
1415 |
0.934 |
231 |
1717 |
|
|
19 |
B |
1382 |
1303 |
0.943 |
231 |
1718 |
|
|
20 |
B |
1001 |
955 |
0.954 |
231 |
1719 |
|
|
21 |
B |
987 |
949 |
0.961 |
231 |
1720 |
|
|
22 |
B |
646 |
691 |
1.069 |
231 |
1721 |
|
|
23 |
B |
225 |
274 |
1.219 |
231 |
1722 |
|
|
24 |
B |
133 |
134 |
1.004 |
231 |
1723 |
C3H8 |
Propane |
1 |
A1 |
3125 |
2977 |
0.953 |
232 |
1724 |
|
|
2 |
A1 |
3054 |
2962 |
0.970 |
232 |
1725 |
|
|
3 |
A1 |
3049 |
2887 |
0.947 |
232 |
1726 |
|
|
4 |
A1 |
1570 |
1476 |
0.940 |
232 |
1727 |
|
|
5 |
A1 |
1549 |
1462 |
0.944 |
232 |
1728 |
|
|
6 |
A1 |
1464 |
1392 |
0.951 |
232 |
1729 |
|
|
7 |
A1 |
1204 |
1158 |
0.962 |
232 |
1730 |
|
|
8 |
A1 |
876 |
869 |
0.992 |
232 |
1731 |
|
|
9 |
A1 |
377 |
369 |
0.979 |
232 |
1732 |
|
|
10 |
A2 |
3115 |
2967 |
0.953 |
232 |
1733 |
|
|
11 |
A2 |
1551 |
1451 |
0.936 |
232 |
1734 |
|
|
12 |
A2 |
1357 |
1278 |
0.942 |
232 |
1735 |
|
|
13 |
A2 |
954 |
940 |
0.985 |
232 |
1736 |
|
|
14 |
A2 |
225 |
216 |
0.961 |
232 |
1737 |
|
|
15 |
B1 |
3130 |
2973 |
0.950 |
232 |
1738 |
|
|
16 |
B1 |
3082 |
2968 |
0.963 |
232 |
1739 |
|
|
17 |
B1 |
1570 |
1472 |
0.938 |
232 |
1740 |
|
|
18 |
B1 |
1243 |
1192 |
0.959 |
232 |
1741 |
|
|
19 |
B1 |
775 |
748 |
0.965 |
232 |
1742 |
|
|
20 |
B1 |
277 |
268 |
0.969 |
232 |
1743 |
|
|
21 |
B2 |
3121 |
2968 |
0.951 |
232 |
1744 |
|
|
22 |
B2 |
3046 |
2887 |
0.948 |
232 |
1745 |
|
|
23 |
B2 |
1557 |
1464 |
0.940 |
232 |
1746 |
|
|
24 |
B2 |
1446 |
1378 |
0.953 |
232 |
1747 |
|
|
25 |
B2 |
1392 |
1338 |
0.961 |
232 |
1748 |
|
|
26 |
B2 |
1062 |
1054 |
0.993 |
232 |
1749 |
|
|
27 |
B2 |
962 |
922 |
0.958 |
232 |
1750 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3273 |
3091 |
0.944 |
233 |
1751 |
|
|
2 |
A1 |
3243 |
3075 |
0.948 |
233 |
1752 |
|
|
3 |
A1 |
3053 |
2886 |
0.945 |
233 |
1753 |
|
|
4 |
A1 |
1556 |
1500 |
0.964 |
233 |
1754 |
|
|
5 |
A1 |
1456 |
1378 |
0.946 |
233 |
1755 |
|
|
6 |
A1 |
1403 |
1365 |
0.973 |
233 |
1756 |
|
|
7 |
A1 |
1158 |
1106 |
0.955 |
233 |
1757 |
|
|
8 |
A1 |
1005 |
994 |
0.989 |
233 |
1758 |
|
|
9 |
A1 |
914 |
915 |
1.001 |
233 |
1759 |
|
|
10 |
A1 |
843 |
802 |
0.951 |
233 |
1760 |
|
|
11 |
A2 |
1174 |
1100 |
0.937 |
233 |
1761 |
|
|
12 |
A2 |
977 |
941 |
0.963 |
233 |
1762 |
|
|
13 |
A2 |
734 |
700 |
0.954 |
233 |
1763 |
|
|
14 |
A2 |
535 |
516 |
0.964 |
233 |
1764 |
|
|
15 |
B1 |
3088 |
2900 |
0.939 |
233 |
1765 |
|
|
16 |
B1 |
974 |
925 |
0.950 |
233 |
1766 |
|
|
17 |
B1 |
925 |
891 |
0.964 |
233 |
1767 |
|
|
18 |
B1 |
691 |
664 |
0.961 |
233 |
1768 |
|
|
19 |
B1 |
349 |
350 |
1.004 |
233 |
1769 |
|
|
20 |
B2 |
3261 |
3105 |
0.952 |
233 |
1770 |
|
|
21 |
B2 |
3233 |
3043 |
0.941 |
233 |
1771 |
|
|
22 |
B2 |
1640 |
1580 |
0.964 |
233 |
1772 |
|
|
23 |
B2 |
1339 |
1292 |
0.965 |
233 |
1773 |
|
|
24 |
B2 |
1266 |
1239 |
0.978 |
233 |
1774 |
|
|
25 |
B2 |
1141 |
1090 |
0.955 |
233 |
1775 |
|
|
26 |
B2 |
981 |
959 |
0.978 |
233 |
1776 |
|
|
27 |
B2 |
842 |
805 |
0.956 |
233 |
1777 |
C5H5N |
Pyridine |
1 |
A1 |
3234 |
3094 |
0.957 |
234 |
1778 |
|
|
2 |
A1 |
3206 |
3073 |
0.958 |
234 |
1779 |
|
|
3 |
A1 |
3191 |
3030 |
0.949 |
234 |
1780 |
|
|
4 |
A1 |
1610 |
1584 |
0.984 |
234 |
1781 |
|
|
5 |
A1 |
1522 |
1483 |
0.974 |
234 |
1782 |
|
|
6 |
A1 |
1265 |
1218 |
0.963 |
234 |
1783 |
|
|
7 |
A1 |
1117 |
1072 |
0.960 |
234 |
1784 |
|
|
8 |
A1 |
1066 |
1032 |
0.968 |
234 |
1785 |
|
|
9 |
A1 |
1002 |
991 |
0.990 |
234 |
1786 |
|
|
10 |
A1 |
635 |
601 |
0.946 |
234 |
1787 |
|
|
11 |
A2 |
1047 |
980 |
0.936 |
234 |
1788 |
|
|
12 |
A2 |
929 |
880 |
0.948 |
234 |
1789 |
|
|
13 |
A2 |
391 |
373 |
0.954 |
234 |
1790 |
|
|
14 |
B1 |
1066 |
1007 |
0.944 |
234 |
1791 |
|
|
15 |
B1 |
991 |
937 |
0.945 |
234 |
1792 |
|
|
16 |
B1 |
793 |
744 |
0.938 |
234 |
1793 |
|
|
17 |
B1 |
743 |
700 |
0.943 |
234 |
1794 |
|
|
18 |
B1 |
432 |
403 |
0.933 |
234 |
1795 |
|
|
19 |
B2 |
3224 |
3087 |
0.957 |
234 |
1796 |
|
|
20 |
B2 |
3187 |
3042 |
0.955 |
234 |
1797 |
|
|
21 |
B2 |
1607 |
1581 |
0.983 |
234 |
1798 |
|
|
22 |
B2 |
1487 |
1442 |
0.970 |
234 |
1799 |
|
|
23 |
B2 |
1420 |
1362 |
0.960 |
234 |
1800 |
|
|
24 |
B2 |
1266 |
1227 |
0.969 |
234 |
1801 |
|
|
25 |
B2 |
1219 |
1143 |
0.938 |
234 |
1802 |
|
|
26 |
B2 |
1085 |
1079 |
0.995 |
234 |
1803 |
|
|
27 |
B2 |
690 |
652 |
0.944 |
234 |
1804 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3204 |
3058 |
0.954 |
235 |
1805 |
|
|
2 |
A' |
3150 |
2995 |
0.951 |
235 |
1806 |
|
|
3 |
A' |
3129 |
2963 |
0.947 |
235 |
1807 |
|
|
4 |
A' |
3043 |
2938 |
0.965 |
235 |
1808 |
|
|
5 |
A' |
2883 |
2805 |
0.973 |
235 |
1809 |
|
|
6 |
A' |
1727 |
1720 |
0.996 |
235 |
1810 |
|
|
7 |
A' |
1714 |
1649 |
0.962 |
235 |
1811 |
|
|
8 |
A' |
1540 |
1455 |
0.945 |
235 |
1812 |
|
|
9 |
A' |
1458 |
1391 |
0.954 |
235 |
1813 |
|
|
10 |
A' |
1442 |
1375 |
0.953 |
235 |
1814 |
|
|
11 |
A' |
1360 |
1304 |
0.959 |
235 |
1815 |
|
|
12 |
A' |
1312 |
1253 |
0.955 |
235 |
1816 |
|
|
13 |
A' |
1167 |
1147 |
0.983 |
235 |
1817 |
|
|
14 |
A' |
1088 |
1074 |
0.987 |
235 |
1818 |
|
|
15 |
A' |
967 |
973 |
1.006 |
235 |
1819 |
|
|
16 |
A' |
538 |
539 |
1.001 |
235 |
1820 |
|
|
17 |
A' |
469 |
464 |
0.990 |
235 |
1821 |
|
|
18 |
A' |
209 |
230 |
1.098 |
235 |
1822 |
|
|
19 |
A" |
3094 |
2980 |
0.963 |
235 |
1823 |
|
|
20 |
A" |
1538 |
1455 |
0.946 |
235 |
1824 |
|
|
21 |
A" |
1105 |
1042 |
0.943 |
235 |
1825 |
|
|
22 |
A" |
1061 |
973 |
0.917 |
235 |
1826 |
|
|
23 |
A" |
1026 |
928 |
0.905 |
235 |
1827 |
|
|
24 |
A" |
820 |
780 |
0.951 |
235 |
1828 |
|
|
25 |
A" |
302 |
295 |
0.976 |
235 |
1829 |
|
|
26 |
A" |
197 |
173 |
0.879 |
235 |
1830 |
|
|
27 |
A" |
136 |
122 |
0.895 |
235 |
1831 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3198 |
3035 |
0.949 |
236 |
1832 |
|
|
2 |
A' |
3191 |
3031 |
0.950 |
236 |
1833 |
|
|
3 |
A' |
3084 |
2966 |
0.962 |
236 |
1834 |
|
|
4 |
A' |
3073 |
2964 |
0.964 |
236 |
1835 |
|
|
5 |
A' |
1787 |
1771 |
0.991 |
236 |
1836 |
|
|
6 |
A' |
1559 |
1460 |
0.937 |
236 |
1837 |
|
|
7 |
A' |
1523 |
1440 |
0.946 |
236 |
1838 |
|
|
8 |
A' |
1489 |
1430 |
0.961 |
236 |
1839 |
|
|
9 |
A' |
1435 |
1375 |
0.958 |
236 |
1840 |
|
|
10 |
A' |
1255 |
1248 |
0.995 |
236 |
1841 |
|
|
11 |
A' |
1185 |
1159 |
0.978 |
236 |
1842 |
|
|
12 |
A' |
1067 |
1060 |
0.993 |
236 |
1843 |
|
|
13 |
A' |
982 |
980 |
0.998 |
236 |
1844 |
|
|
14 |
A' |
822 |
844 |
1.026 |
236 |
1845 |
|
|
15 |
A' |
636 |
639 |
1.004 |
236 |
1846 |
|
|
16 |
A' |
405 |
429 |
1.058 |
236 |
1847 |
|
|
17 |
A' |
268 |
303 |
1.133 |
236 |
1848 |
|
|
18 |
A" |
3149 |
3005 |
0.954 |
236 |
1849 |
|
|
19 |
A" |
3145 |
2994 |
0.952 |
236 |
1850 |
|
|
20 |
A" |
1541 |
1460 |
0.948 |
236 |
1851 |
|
|
21 |
A" |
1535 |
1430 |
0.932 |
236 |
1852 |
|
|
22 |
A" |
1162 |
1187 |
1.022 |
236 |
1853 |
|
|
23 |
A" |
1098 |
1036 |
0.944 |
236 |
1854 |
|
|
24 |
A" |
602 |
607 |
1.008 |
236 |
1855 |
|
|
25 |
A" |
176 |
187 |
1.060 |
236 |
1856 |
|
|
26 |
A" |
76 |
136 |
1.793 |
236 |
1857 |
|
|
27 |
A" |
64 |
110 |
1.716 |
236 |
1858 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3236 |
3022 |
0.934 |
237 |
1859 |
|
|
2 |
A |
3179 |
3004 |
0.945 |
237 |
1860 |
|
|
3 |
A |
3162 |
2991 |
0.946 |
237 |
1861 |
|
|
4 |
A |
3152 |
2970 |
0.942 |
237 |
1862 |
|
|
5 |
A |
3145 |
2949 |
0.938 |
237 |
1863 |
|
|
6 |
A |
3072 |
2908 |
0.947 |
237 |
1864 |
|
|
7 |
A |
1551 |
1462 |
0.943 |
237 |
1865 |
|
|
8 |
A |
1545 |
1459 |
0.944 |
237 |
1866 |
|
|
9 |
A |
1516 |
1446 |
0.954 |
237 |
1867 |
|
|
10 |
A |
1460 |
1391 |
0.952 |
237 |
1868 |
|
|
11 |
A |
1405 |
1347 |
0.959 |
237 |
1869 |
|
|
12 |
A |
1306 |
1286 |
0.984 |
237 |
1870 |
|
|
13 |
A |
1277 |
1238 |
0.970 |
237 |
1871 |
|
|
14 |
A |
1220 |
1181 |
0.968 |
237 |
1872 |
|
|
15 |
A |
1164 |
1120 |
0.962 |
237 |
1873 |
|
|
16 |
A |
1088 |
1076 |
0.989 |
237 |
1874 |
|
|
17 |
A |
1053 |
1023 |
0.972 |
237 |
1875 |
|
|
18 |
A |
935 |
890 |
0.952 |
237 |
1876 |
|
|
19 |
A |
875 |
850 |
0.971 |
237 |
1877 |
|
|
20 |
A |
686 |
750 |
1.094 |
237 |
1878 |
|
|
21 |
A |
636 |
685 |
1.077 |
237 |
1879 |
|
|
22 |
A |
415 |
417 |
1.006 |
237 |
1880 |
|
|
23 |
A |
339 |
358 |
1.055 |
237 |
1881 |
|
|
24 |
A |
271 |
285 |
1.050 |
237 |
1882 |
|
|
25 |
A |
260 |
250 |
0.962 |
237 |
1883 |
|
|
26 |
A |
199 |
203 |
1.018 |
237 |
1884 |
|
|
27 |
A |
114 |
108 |
0.948 |
237 |
1885 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3157 |
2989 |
0.947 |
238 |
1886 |
|
|
2 |
A1 |
3138 |
2941 |
0.937 |
238 |
1887 |
|
|
3 |
A1 |
3041 |
2911 |
0.957 |
238 |
1888 |
|
|
4 |
A1 |
1740 |
1661 |
0.954 |
238 |
1889 |
|
|
5 |
A1 |
1557 |
1470 |
0.944 |
238 |
1890 |
|
|
6 |
A1 |
1488 |
1416 |
0.951 |
238 |
1891 |
|
|
7 |
A1 |
1459 |
1366 |
0.936 |
238 |
1892 |
|
|
8 |
A1 |
1116 |
1064 |
0.953 |
238 |
1893 |
|
|
9 |
A1 |
809 |
801 |
0.990 |
238 |
1894 |
|
|
10 |
A1 |
377 |
383 |
1.015 |
238 |
1895 |
|
|
11 |
A2 |
3089 |
2970 |
0.962 |
238 |
1896 |
|
|
12 |
A2 |
1532 |
1459 |
0.952 |
238 |
1897 |
|
|
13 |
A2 |
1056 |
1076 |
1.019 |
238 |
1898 |
|
|
14 |
A2 |
714 |
|
|
238 |
1899 |
|
|
15 |
A2 |
173 |
193 |
1.116 |
238 |
1900 |
|
|
16 |
B1 |
3093 |
2945 |
0.952 |
238 |
1901 |
|
|
17 |
B1 |
1553 |
1444 |
0.930 |
238 |
1902 |
|
|
18 |
B1 |
1140 |
1079 |
0.946 |
238 |
1903 |
|
|
19 |
B1 |
943 |
890 |
0.944 |
238 |
1904 |
|
|
20 |
B1 |
431 |
429 |
0.995 |
238 |
1905 |
|
|
21 |
B1 |
208 |
196 |
0.945 |
238 |
1906 |
|
|
22 |
B2 |
3238 |
3086 |
0.953 |
238 |
1907 |
|
|
23 |
B2 |
3135 |
2980 |
0.950 |
238 |
1908 |
|
|
24 |
B2 |
3036 |
2893 |
0.953 |
238 |
1909 |
|
|
25 |
B2 |
1542 |
1458 |
0.946 |
238 |
1910 |
|
|
26 |
B2 |
1446 |
1381 |
0.955 |
238 |
1911 |
|
|
27 |
B2 |
1312 |
1282 |
0.977 |
238 |
1912 |
|
|
28 |
B2 |
1013 |
1043 |
1.030 |
238 |
1913 |
|
|
29 |
B2 |
977 |
974 |
0.997 |
238 |
1914 |
|
|
30 |
B2 |
443 |
430 |
0.971 |
238 |
1915 |
C6H6 |
Benzene |
1 |
A1g |
3231 |
3062 |
0.948 |
239 |
1916 |
|
|
2 |
A1g |
1021 |
992 |
0.971 |
239 |
1917 |
|
|
3 |
A2g |
1428 |
1326 |
0.928 |
239 |
1918 |
|
|
4 |
A2u |
698 |
673 |
0.964 |
239 |
1919 |
|
|
5 |
B1u |
3191 |
3068 |
0.961 |
239 |
1920 |
|
|
6 |
B1u |
1061 |
1010 |
0.952 |
239 |
1921 |
|
|
7 |
B2g |
1049 |
995 |
0.948 |
239 |
1922 |
|
|
8 |
B2g |
753 |
703 |
0.933 |
239 |
1923 |
|
|
9 |
B2u |
1337 |
1310 |
0.980 |
239 |
1924 |
|
|
10 |
B2u |
1227 |
1150 |
0.937 |
239 |
1925 |
|
|
11 |
E1g |
879 |
849 |
0.966 |
239 |
1926 |
|
|
12 |
E1u |
3217 |
3063 |
0.952 |
239 |
1927 |
|
|
13 |
E1u |
1537 |
1486 |
0.967 |
239 |
1928 |
|
|
14 |
E1u |
1072 |
1038 |
0.968 |
239 |
1929 |
|
|
15 |
E2g |
3200 |
3047 |
0.952 |
239 |
1930 |
|
|
16 |
E2g |
1636 |
1596 |
0.975 |
239 |
1931 |
|
|
17 |
E2g |
1238 |
1178 |
0.952 |
239 |
1932 |
|
|
18 |
E2g |
644 |
606 |
0.941 |
239 |
1933 |
|
|
19 |
E2u |
1010 |
975 |
0.966 |
239 |
1934 |
|
|
20 |
E2u |
419 |
410 |
0.978 |
239 |
1935 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3251 |
3088 |
0.950 |
240 |
1936 |
|
|
2 |
A |
3186 |
3017 |
0.947 |
240 |
1937 |
|
|
3 |
A |
3167 |
3011 |
0.951 |
240 |
1938 |
|
|
4 |
A |
3162 |
2990 |
0.946 |
240 |
1939 |
|
|
5 |
A |
3151 |
2974 |
0.944 |
240 |
1940 |
|
|
6 |
A |
3136 |
2967 |
0.946 |
240 |
1941 |
|
|
7 |
A |
3062 |
2927 |
0.956 |
240 |
1942 |
|
|
8 |
A |
1715 |
1645 |
0.959 |
240 |
1943 |
|
|
9 |
A |
1549 |
1452 |
0.937 |
240 |
1944 |
|
|
10 |
A |
1544 |
1447 |
0.937 |
240 |
1945 |
|
|
11 |
A |
1504 |
1424 |
0.947 |
240 |
1946 |
|
|
12 |
A |
1458 |
1375 |
0.943 |
240 |
1947 |
|
|
13 |
A |
1362 |
1297 |
0.952 |
240 |
1948 |
|
|
14 |
A |
1355 |
1283 |
0.947 |
240 |
1949 |
|
|
15 |
A |
1259 |
1233 |
0.979 |
240 |
1950 |
|
|
16 |
A |
1211 |
1174 |
0.969 |
240 |
1951 |
|
|
17 |
A |
1118 |
1090 |
0.975 |
240 |
1952 |
|
|
18 |
A |
1070 |
1025 |
0.958 |
240 |
1953 |
|
|
19 |
A |
1043 |
988 |
0.948 |
240 |
1954 |
|
|
20 |
A |
1013 |
966 |
0.954 |
240 |
1955 |
|
|
21 |
A |
987 |
931 |
0.944 |
240 |
1956 |
|
|
22 |
A |
883 |
864 |
0.978 |
240 |
1957 |
|
|
23 |
A |
720 |
708 |
0.984 |
240 |
1958 |
|
|
24 |
A |
615 |
625 |
1.016 |
240 |
1959 |
|
|
25 |
A |
450 |
456 |
1.013 |
240 |
1960 |
|
|
26 |
A |
326 |
319 |
0.978 |
240 |
1961 |
|
|
27 |
A |
301 |
305 |
1.014 |
240 |
1962 |
|
|
28 |
A |
284 |
283 |
0.998 |
240 |
1963 |
|
|
29 |
A |
261 |
245 |
0.937 |
240 |
1964 |
|
|
30 |
A |
100 |
92 |
0.919 |
240 |
1965 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3254 |
3095 |
0.951 |
241 |
1966 |
|
|
2 |
A' |
3247 |
3095 |
0.953 |
241 |
1967 |
|
|
3 |
A' |
3174 |
3000 |
0.945 |
241 |
1968 |
|
|
4 |
A' |
3162 |
3000 |
0.949 |
241 |
1969 |
|
|
5 |
A' |
3158 |
3000 |
0.950 |
241 |
1970 |
|
|
6 |
A' |
3144 |
2984 |
0.949 |
241 |
1971 |
|
|
7 |
A' |
3050 |
2904 |
0.952 |
241 |
1972 |
|
|
8 |
A' |
1712 |
1638 |
0.957 |
241 |
1973 |
|
|
9 |
A' |
1678 |
1607 |
0.957 |
241 |
1974 |
|
|
10 |
A' |
1556 |
1464 |
0.941 |
241 |
1975 |
|
|
11 |
A' |
1503 |
1420 |
0.945 |
241 |
1976 |
|
|
12 |
A' |
1473 |
1389 |
0.943 |
241 |
1977 |
|
|
13 |
A' |
1450 |
1363 |
0.940 |
241 |
1978 |
|
|
14 |
A' |
1365 |
1313 |
0.962 |
241 |
1979 |
|
|
15 |
A' |
1343 |
1303 |
0.970 |
241 |
1980 |
|
|
16 |
A' |
1122 |
1072 |
0.955 |
241 |
1981 |
|
|
17 |
A' |
1048 |
1012 |
0.966 |
241 |
1982 |
|
|
18 |
A' |
973 |
953 |
0.980 |
241 |
1983 |
|
|
19 |
A' |
788 |
770 |
0.978 |
241 |
1984 |
|
|
20 |
A' |
548 |
530 |
0.967 |
241 |
1985 |
|
|
21 |
A' |
435 |
396 |
0.911 |
241 |
1986 |
|
|
22 |
A' |
283 |
196 |
0.693 |
241 |
1987 |
|
|
23 |
A" |
3108 |
2949 |
0.949 |
241 |
1988 |
|
|
24 |
A" |
1543 |
1451 |
0.940 |
241 |
1989 |
|
|
25 |
A" |
1105 |
1034 |
0.936 |
241 |
1990 |
|
|
26 |
A" |
1039 |
991 |
0.954 |
241 |
1991 |
|
|
27 |
A" |
957 |
907 |
0.948 |
241 |
1992 |
|
|
28 |
A" |
943 |
907 |
0.961 |
241 |
1993 |
|
|
29 |
A" |
792 |
757 |
0.956 |
241 |
1994 |
|
|
30 |
A" |
645 |
615 |
0.954 |
241 |
1995 |
|
|
31 |
A" |
397 |
290 |
0.730 |
241 |
1996 |
|
|
32 |
A" |
202 |
153 |
0.759 |
241 |
1997 |
C5H8 |
Cyclopentene |
1 |
A' |
3237 |
3066 |
0.947 |
242 |
1998 |
|
|
2 |
A' |
3142 |
2958 |
0.941 |
242 |
1999 |
|
|
3 |
A' |
3100 |
2916 |
0.941 |
242 |
2000 |
|
|
4 |
A' |
3080 |
2902 |
0.942 |
242 |
2001 |
|
|
5 |
A' |
3042 |
2852 |
0.938 |
242 |
2002 |
|
|
6 |
A' |
1688 |
1616 |
0.957 |
242 |
2003 |
|
|
7 |
A' |
1550 |
1467 |
0.946 |
242 |
2004 |
|
|
8 |
A' |
1527 |
1449 |
0.949 |
242 |
2005 |
|
|
9 |
A' |
1334 |
1302 |
0.976 |
242 |
2006 |
|
|
10 |
A' |
1270 |
1284 |
1.011 |
242 |
2007 |
|
|
11 |
A' |
1161 |
1213 |
1.045 |
242 |
2008 |
|
|
12 |
A' |
1080 |
1048 |
0.971 |
242 |
2009 |
|
|
13 |
A' |
974 |
964 |
0.989 |
242 |
2010 |
|
|
14 |
A' |
904 |
962 |
1.064 |
242 |
2011 |
|
|
15 |
A' |
831 |
904 |
1.088 |
242 |
2012 |
|
|
16 |
A' |
730 |
692 |
0.948 |
242 |
2013 |
|
|
17 |
A' |
625 |
603 |
0.966 |
242 |
2014 |
|
|
18 |
A' |
130 |
254 |
1.948 |
242 |
2015 |
|
|
19 |
A" |
3207 |
3039 |
0.948 |
242 |
2016 |
|
|
20 |
A" |
3094 |
2967 |
0.959 |
242 |
2017 |
|
|
21 |
A" |
3042 |
2927 |
0.962 |
242 |
2018 |
|
|
22 |
A" |
1532 |
1467 |
0.957 |
242 |
2019 |
|
|
23 |
A" |
1393 |
1432 |
1.028 |
242 |
2020 |
|
|
24 |
A" |
1355 |
1356 |
1.001 |
242 |
2021 |
|
|
25 |
A" |
1339 |
1302 |
0.973 |
242 |
2022 |
|
|
26 |
A" |
1241 |
1297 |
1.045 |
242 |
2023 |
|
|
27 |
A" |
1202 |
1207 |
1.004 |
242 |
2024 |
|
|
28 |
A" |
1047 |
1113 |
1.063 |
242 |
2025 |
|
|
29 |
A" |
993 |
1082 |
1.090 |
242 |
2026 |
|
|
30 |
A" |
922 |
937 |
1.017 |
242 |
2027 |
|
|
31 |
A" |
896 |
800 |
0.893 |
242 |
2028 |
|
|
32 |
A" |
800 |
702 |
0.878 |
242 |
2029 |
|
|
33 |
A" |
389 |
387 |
0.996 |
242 |
2030 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3240 |
3080 |
0.951 |
243 |
2031 |
|
|
2 |
A |
3168 |
3012 |
0.951 |
243 |
2032 |
|
|
3 |
A |
3153 |
3012 |
0.955 |
243 |
2033 |
|
|
4 |
A |
3043 |
2900 |
0.953 |
243 |
2034 |
|
|
5 |
A |
1727 |
1644 |
0.952 |
243 |
2035 |
|
|
6 |
A |
1521 |
1433 |
0.942 |
243 |
2036 |
|
|
7 |
A |
1497 |
1413 |
0.944 |
243 |
2037 |
|
|
8 |
A |
1353 |
1295 |
0.957 |
243 |
2038 |
|
|
9 |
A |
1301 |
1263 |
0.971 |
243 |
2039 |
|
|
10 |
A |
1113 |
1120 |
1.006 |
243 |
2040 |
|
|
11 |
A |
1047 |
995 |
0.950 |
243 |
2041 |
|
|
12 |
A |
974 |
918 |
0.942 |
243 |
2042 |
|
|
13 |
A |
927 |
876 |
0.945 |
243 |
2043 |
|
|
14 |
A |
689 |
562 |
0.816 |
243 |
2044 |
|
|
15 |
A |
380 |
421 |
1.107 |
243 |
2045 |
|
|
16 |
A |
312 |
137 |
0.439 |
243 |
2046 |
|
|
17 |
A |
82 |
102 |
1.237 |
243 |
2047 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3152 |
2987 |
0.948 |
244 |
2048 |
|
|
2 |
A1 |
3130 |
2941 |
0.940 |
244 |
2049 |
|
|
3 |
A1 |
3043 |
2916 |
0.958 |
244 |
2050 |
|
|
4 |
A1 |
2091 |
1996 |
0.954 |
244 |
2051 |
|
|
5 |
A1 |
1564 |
1470 |
0.940 |
244 |
2052 |
|
|
6 |
A1 |
1517 |
1438 |
0.948 |
244 |
2053 |
|
|
7 |
A1 |
1455 |
1369 |
0.941 |
244 |
2054 |
|
|
8 |
A1 |
1344 |
1286 |
0.957 |
244 |
2055 |
|
|
9 |
A1 |
1050 |
973 |
0.927 |
244 |
2056 |
|
|
10 |
A1 |
731 |
726 |
0.993 |
244 |
2057 |
|
|
11 |
A1 |
338 |
349 |
1.031 |
244 |
2058 |
|
|
12 |
A2 |
3094 |
2941 |
0.950 |
244 |
2059 |
|
|
13 |
A2 |
1535 |
1470 |
0.958 |
244 |
2060 |
|
|
14 |
A2 |
1038 |
985 |
0.949 |
244 |
2061 |
|
|
15 |
A2 |
629 |
617 |
0.982 |
244 |
2062 |
|
|
17 |
B1 |
3200 |
3051 |
0.954 |
244 |
2063 |
|
|
18 |
B1 |
3097 |
2941 |
0.950 |
244 |
2064 |
|
|
19 |
B1 |
1554 |
1470 |
0.946 |
244 |
2065 |
|
|
20 |
B1 |
1132 |
1068 |
0.943 |
244 |
2066 |
|
|
21 |
B1 |
1066 |
1004 |
0.942 |
244 |
2067 |
|
|
22 |
B1 |
441 |
443 |
1.004 |
244 |
2068 |
|
|
23 |
B1 |
257 |
187 |
0.728 |
244 |
2069 |
|
|
25 |
B2 |
3151 |
2941 |
0.933 |
244 |
2070 |
|
|
26 |
B2 |
3039 |
2916 |
0.959 |
244 |
2071 |
|
|
27 |
B2 |
1539 |
1470 |
0.955 |
244 |
2072 |
|
|
28 |
B2 |
1439 |
1369 |
0.951 |
244 |
2073 |
|
|
29 |
B2 |
1201 |
1191 |
0.992 |
244 |
2074 |
|
|
30 |
B2 |
990 |
968 |
0.978 |
244 |
2075 |
|
|
31 |
B2 |
914 |
848 |
0.928 |
244 |
2076 |
|
|
32 |
B2 |
608 |
554 |
0.910 |
244 |
2077 |
|
|
33 |
B2 |
183 |
187 |
1.022 |
244 |
2078 |
C5H8 |
Spiropentane |
1 |
A1 |
3164 |
3000 |
0.948 |
245 |
2079 |
|
|
2 |
A1 |
1523 |
1423 |
0.935 |
245 |
2080 |
|
|
3 |
A1 |
1095 |
1160 |
1.060 |
245 |
2081 |
|
|
4 |
A1 |
1029 |
1037 |
1.008 |
245 |
2082 |
|
|
5 |
A1 |
585 |
588 |
1.005 |
245 |
2083 |
|
|
6 |
A2 |
3243 |
3070 |
0.947 |
245 |
2084 |
|
|
7 |
A2 |
1180 |
1174 |
0.995 |
245 |
2085 |
|
|
8 |
A2 |
857 |
919 |
1.073 |
245 |
2086 |
|
|
9 |
B1 |
3243 |
3066 |
0.946 |
245 |
2087 |
|
|
10 |
B1 |
1192 |
1166 |
0.978 |
245 |
2088 |
|
|
11 |
B1 |
1041 |
888 |
0.853 |
245 |
2089 |
|
|
12 |
B1 |
299 |
300 |
1.005 |
245 |
2090 |
|
|
13 |
B2 |
3164 |
3000 |
0.948 |
245 |
2091 |
|
|
14 |
B2 |
1548 |
1521 |
0.983 |
245 |
2092 |
|
|
15 |
B2 |
1462 |
1415 |
0.968 |
245 |
2093 |
|
|
16 |
B2 |
1043 |
990 |
0.949 |
245 |
2094 |
|
|
17 |
B2 |
871 |
872 |
1.001 |
245 |
2095 |
|
|
18 |
E |
3258 |
3067 |
0.941 |
245 |
2096 |
|
|
19 |
E |
3159 |
2985 |
0.945 |
245 |
2097 |
|
|
20 |
E |
1499 |
1431 |
0.954 |
245 |
2098 |
|
|
21 |
E |
1204 |
1150 |
0.955 |
245 |
2099 |
|
|
22 |
E |
1109 |
1049 |
0.946 |
245 |
2100 |
|
|
23 |
E |
883 |
870 |
0.985 |
245 |
2101 |
|
|
24 |
E |
804 |
780 |
0.970 |
245 |
2102 |
|
|
25 |
E |
284 |
308 |
1.086 |
245 |
2103 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3080 |
2953 |
0.959 |
246 |
2104 |
|
|
2 |
A1 |
2942 |
2775 |
0.943 |
246 |
2105 |
|
|
3 |
A1 |
1563 |
1459 |
0.933 |
246 |
2106 |
|
|
4 |
A1 |
1514 |
1444 |
0.954 |
246 |
2107 |
|
|
5 |
A1 |
1213 |
1186 |
0.978 |
246 |
2108 |
|
|
6 |
A1 |
804 |
828 |
1.030 |
246 |
2109 |
|
|
7 |
A1 |
325 |
367 |
1.128 |
246 |
2110 |
|
|
8 |
A2 |
3121 |
2977 |
0.954 |
246 |
2111 |
|
|
9 |
A2 |
1554 |
1453 |
0.935 |
246 |
2112 |
|
|
10 |
A2 |
1077 |
1046 |
0.972 |
246 |
2113 |
|
|
11 |
A2 |
283 |
255 |
0.899 |
246 |
2114 |
|
|
12 |
E |
3127 |
2981 |
0.953 |
246 |
2115 |
|
|
13 |
E |
3075 |
2953 |
0.960 |
246 |
2116 |
|
|
14 |
E |
2927 |
2776 |
0.948 |
246 |
2117 |
|
|
15 |
E |
1574 |
1471 |
0.934 |
246 |
2118 |
|
|
16 |
E |
1540 |
1444 |
0.937 |
246 |
2119 |
|
|
17 |
E |
1475 |
1409 |
0.955 |
246 |
2120 |
|
|
18 |
E |
1303 |
1275 |
0.979 |
246 |
2121 |
|
|
19 |
E |
1139 |
1103 |
0.968 |
246 |
2122 |
|
|
20 |
E |
1056 |
1043 |
0.988 |
246 |
2123 |
|
|
21 |
E |
418 |
424 |
1.013 |
246 |
2124 |
|
|
22 |
E |
272 |
281 |
1.035 |
246 |
2125 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3137 |
2974 |
0.948 |
247 |
2126 |
|
|
2 |
A' |
3134 |
2953 |
0.942 |
247 |
2127 |
|
|
3 |
A' |
3105 |
2940 |
0.947 |
247 |
2128 |
|
|
4 |
A' |
3051 |
2876 |
0.943 |
247 |
2129 |
|
|
5 |
A' |
2862 |
2757 |
0.963 |
247 |
2130 |
|
|
6 |
A' |
1760 |
1752 |
0.995 |
247 |
2131 |
|
|
7 |
A' |
1567 |
1474 |
0.941 |
247 |
2132 |
|
|
8 |
A' |
1561 |
1449 |
0.928 |
247 |
2133 |
|
|
9 |
A' |
1463 |
1399 |
0.956 |
247 |
2134 |
|
|
10 |
A' |
1439 |
1381 |
0.960 |
247 |
2135 |
|
|
11 |
A' |
1333 |
1329 |
0.997 |
247 |
2136 |
|
|
12 |
A' |
1207 |
1182 |
0.979 |
247 |
2137 |
|
|
13 |
A' |
1192 |
1138 |
0.954 |
247 |
2138 |
|
|
14 |
A' |
921 |
922 |
1.001 |
247 |
2139 |
|
|
15 |
A' |
855 |
800 |
0.936 |
247 |
2140 |
|
|
16 |
A' |
541 |
632 |
1.167 |
247 |
2141 |
|
|
17 |
A' |
346 |
395 |
1.140 |
247 |
2142 |
|
|
18 |
A' |
341 |
272 |
0.798 |
247 |
2143 |
|
|
19 |
A' |
240 |
212 |
0.883 |
247 |
2144 |
|
|
20 |
A" |
3135 |
2990 |
0.954 |
247 |
2145 |
|
|
21 |
A" |
3121 |
2982 |
0.956 |
247 |
2146 |
|
|
22 |
A" |
3049 |
2885 |
0.946 |
247 |
2147 |
|
|
23 |
A" |
1548 |
1467 |
0.948 |
247 |
2148 |
|
|
24 |
A" |
1544 |
1452 |
0.940 |
247 |
2149 |
|
|
25 |
A" |
1443 |
1437 |
0.996 |
247 |
2150 |
|
|
26 |
A" |
1365 |
1290 |
0.945 |
247 |
2151 |
|
|
27 |
A" |
1147 |
1109 |
0.967 |
247 |
2152 |
|
|
28 |
A" |
1001 |
965 |
0.964 |
247 |
2153 |
|
|
29 |
A" |
989 |
942 |
0.953 |
247 |
2154 |
|
|
30 |
A" |
967 |
933 |
0.965 |
247 |
2155 |
|
|
31 |
A" |
343 |
351 |
1.024 |
247 |
2156 |
|
|
32 |
A" |
226 |
227 |
1.006 |
247 |
2157 |
|
|
33 |
A" |
77 |
75 |
0.969 |
247 |
2158 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
432 |
1442 |
3.338 |
248 |
2159 |
|
|
|
Ag |
849 |
1151 |
1.356 |
248 |
2160 |
|
|
|
Bu |
3052 |
1461 |
0.479 |
248 |
2161 |
|
|
|
Bu |
3124 |
964 |
0.309 |
248 |
2162 |
|
|
|
Au |
1330 |
1257 |
0.945 |
248 |
2163 |
|
|
|
Bg |
1560 |
1300 |
0.833 |
248 |
2164 |
|
|
|
Bu |
3047 |
2870 |
0.942 |
248 |
2165 |
C4H9N |
Pyrrolidine |
1 |
A' |
3465 |
3356 |
0.969 |
249 |
2166 |
|
|
2 |
A' |
3162 |
2975 |
0.941 |
249 |
2167 |
|
|
3 |
A' |
3114 |
2927 |
0.940 |
249 |
2168 |
|
|
4 |
A' |
3100 |
2889 |
0.932 |
249 |
2169 |
|
|
5 |
A' |
2950 |
2824 |
0.957 |
249 |
2170 |
|
|
6 |
A' |
1577 |
1484 |
0.941 |
249 |
2171 |
|
|
7 |
A' |
1548 |
1447 |
0.935 |
249 |
2172 |
|
|
8 |
A' |
1411 |
1292 |
0.916 |
249 |
2173 |
|
|
9 |
A' |
1345 |
1273 |
0.946 |
249 |
2174 |
|
|
10 |
A' |
1249 |
1228 |
0.983 |
249 |
2175 |
|
|
11 |
A' |
1247 |
1181 |
0.947 |
249 |
2176 |
|
|
12 |
A' |
1080 |
974 |
0.902 |
249 |
2177 |
|
|
13 |
A' |
1024 |
920 |
0.899 |
249 |
2178 |
|
|
14 |
A' |
943 |
901 |
0.955 |
249 |
2179 |
|
|
15 |
A' |
895 |
871 |
0.973 |
249 |
2180 |
|
|
16 |
A' |
842 |
832 |
0.988 |
249 |
2181 |
|
|
17 |
A' |
735 |
789 |
1.073 |
249 |
2182 |
|
|
18 |
A' |
550 |
579 |
1.052 |
249 |
2183 |
|
|
19 |
A' |
284 |
299 |
1.051 |
249 |
2184 |
|
|
20 |
A" |
3139 |
2967 |
0.945 |
249 |
2185 |
|
|
21 |
A" |
3106 |
2916 |
0.939 |
249 |
2186 |
|
|
22 |
A" |
3092 |
2879 |
0.931 |
249 |
2187 |
|
|
23 |
A" |
2943 |
2818 |
0.957 |
249 |
2188 |
|
|
24 |
A" |
1557 |
1459 |
0.937 |
249 |
2189 |
|
|
25 |
A" |
1528 |
1412 |
0.924 |
249 |
2190 |
|
|
26 |
A" |
1458 |
1341 |
0.920 |
249 |
2191 |
|
|
27 |
A" |
1361 |
1268 |
0.932 |
249 |
2192 |
|
|
28 |
A" |
1334 |
1211 |
0.908 |
249 |
2193 |
|
|
29 |
A" |
1278 |
1203 |
0.941 |
249 |
2194 |
|
|
30 |
A" |
1213 |
1171 |
0.965 |
249 |
2195 |
|
|
31 |
A" |
1129 |
1099 |
0.974 |
249 |
2196 |
|
|
32 |
A" |
1108 |
1023 |
0.923 |
249 |
2197 |
|
|
33 |
A" |
928 |
883 |
0.951 |
249 |
2198 |
|
|
34 |
A" |
888 |
848 |
0.955 |
249 |
2199 |
|
|
35 |
A" |
648 |
600 |
0.926 |
249 |
2200 |
|
|
36 |
A" |
30 |
65 |
2.150 |
249 |
2201 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3416 |
3345 |
0.979 |
250 |
2202 |
|
|
2 |
A' |
3191 |
2975 |
0.932 |
250 |
2203 |
|
|
3 |
A' |
3154 |
2950 |
0.935 |
250 |
2204 |
|
|
4 |
A' |
3115 |
2918 |
0.937 |
250 |
2205 |
|
|
5 |
A' |
3094 |
2905 |
0.939 |
250 |
2206 |
|
|
6 |
A' |
2980 |
2887 |
0.969 |
250 |
2207 |
|
|
7 |
A' |
1710 |
1614 |
0.944 |
250 |
2208 |
|
|
8 |
A' |
1533 |
1467 |
0.957 |
250 |
2209 |
|
|
9 |
A' |
1507 |
1443 |
0.958 |
250 |
2210 |
|
|
10 |
A' |
1382 |
1390 |
1.006 |
250 |
2211 |
|
|
11 |
A' |
1291 |
1291 |
1.000 |
250 |
2212 |
|
|
12 |
A' |
1250 |
1237 |
0.989 |
250 |
2213 |
|
|
13 |
A' |
1148 |
1137 |
0.990 |
250 |
2214 |
|
|
14 |
A' |
1076 |
1120 |
1.041 |
250 |
2215 |
|
|
15 |
A' |
948 |
1050 |
1.107 |
250 |
2216 |
|
|
16 |
A' |
899 |
965 |
1.073 |
250 |
2217 |
|
|
17 |
A' |
863 |
788 |
0.913 |
250 |
2218 |
|
|
18 |
A' |
711 |
752 |
1.058 |
250 |
2219 |
|
|
19 |
A' |
650 |
606 |
0.932 |
250 |
2220 |
|
|
20 |
A' |
398 |
448 |
1.125 |
250 |
2221 |
|
|
21 |
A' |
183 |
174 |
0.951 |
250 |
2222 |
|
|
22 |
A" |
3518 |
3411 |
0.970 |
250 |
2223 |
|
|
23 |
A" |
3157 |
2970 |
0.941 |
250 |
2224 |
|
|
24 |
A" |
3088 |
2957 |
0.958 |
250 |
2225 |
|
|
25 |
A" |
1505 |
1452 |
0.965 |
250 |
2226 |
|
|
26 |
A" |
1347 |
1213 |
0.900 |
250 |
2227 |
|
|
27 |
A" |
1306 |
1185 |
0.908 |
250 |
2228 |
|
|
28 |
A" |
1282 |
1168 |
0.911 |
250 |
2229 |
|
|
29 |
A" |
1229 |
1036 |
0.843 |
250 |
2230 |
|
|
30 |
A" |
1166 |
|
|
250 |
2231 |
|
|
31 |
A" |
1070 |
925 |
0.865 |
250 |
2232 |
|
|
32 |
A" |
923 |
912 |
0.988 |
250 |
2233 |
|
|
33 |
A" |
909 |
883 |
0.972 |
250 |
2234 |
|
|
34 |
A" |
778 |
788 |
1.013 |
250 |
2235 |
|
|
35 |
A" |
393 |
354 |
0.901 |
250 |
2236 |
|
|
36 |
A" |
282 |
240 |
0.851 |
250 |
2237 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3130 |
2968 |
0.948 |
251 |
2238 |
|
|
2 |
Ag |
3022 |
2856 |
0.945 |
251 |
2239 |
|
|
3 |
Ag |
1533 |
1444 |
0.942 |
251 |
2240 |
|
|
4 |
Ag |
1430 |
1397 |
0.977 |
251 |
2241 |
|
|
5 |
Ag |
1325 |
1305 |
0.985 |
251 |
2242 |
|
|
6 |
Ag |
1138 |
1128 |
0.992 |
251 |
2243 |
|
|
7 |
Ag |
1008 |
1015 |
1.006 |
251 |
2244 |
|
|
8 |
Ag |
838 |
837 |
0.998 |
251 |
2245 |
|
|
9 |
Ag |
427 |
435 |
1.019 |
251 |
2246 |
|
|
10 |
Ag |
395 |
424 |
1.072 |
251 |
2247 |
|
|
11 |
Au |
3126 |
2970 |
0.950 |
251 |
2248 |
|
|
12 |
Au |
3017 |
2863 |
0.949 |
251 |
2249 |
|
|
13 |
Au |
1517 |
1449 |
0.955 |
251 |
2250 |
|
|
14 |
Au |
1393 |
1369 |
0.983 |
251 |
2251 |
|
|
15 |
Au |
1290 |
1256 |
0.974 |
251 |
2252 |
|
|
16 |
Au |
1110 |
1136 |
1.024 |
251 |
2253 |
|
|
17 |
Au |
1094 |
1086 |
0.993 |
251 |
2254 |
|
|
18 |
Au |
888 |
881 |
0.992 |
251 |
2255 |
|
|
19 |
Au |
230 |
288 |
1.253 |
251 |
2256 |
|
|
20 |
Bg |
3127 |
2968 |
0.949 |
251 |
2257 |
|
|
21 |
Bg |
3027 |
2856 |
0.943 |
251 |
2258 |
|
|
22 |
Bg |
1519 |
1459 |
0.961 |
251 |
2259 |
|
|
23 |
Bg |
1374 |
1335 |
0.971 |
251 |
2260 |
|
|
24 |
Bg |
1242 |
1217 |
0.980 |
251 |
2261 |
|
|
25 |
Bg |
1096 |
1110 |
1.013 |
251 |
2262 |
|
|
26 |
Bg |
872 |
853 |
0.978 |
251 |
2263 |
|
|
27 |
Bg |
465 |
490 |
1.055 |
251 |
2264 |
|
|
28 |
Bu |
3130 |
2970 |
0.949 |
251 |
2265 |
|
|
29 |
Bu |
3032 |
2863 |
0.944 |
251 |
2266 |
|
|
30 |
Bu |
1528 |
1457 |
0.954 |
251 |
2267 |
|
|
31 |
Bu |
1435 |
1378 |
0.960 |
251 |
2268 |
|
|
32 |
Bu |
1316 |
1291 |
0.981 |
251 |
2269 |
|
|
33 |
Bu |
1074 |
1052 |
0.979 |
251 |
2270 |
|
|
34 |
Bu |
847 |
889 |
1.049 |
251 |
2271 |
|
|
35 |
Bu |
585 |
610 |
1.043 |
251 |
2272 |
|
|
36 |
Bu |
265 |
274 |
1.034 |
251 |
2273 |
C8H8 |
cubane |
1 |
A1g |
3205 |
2995 |
0.935 |
252 |
2274 |
|
|
2 |
A1g |
1020 |
1002 |
0.983 |
252 |
2275 |
|
|
3 |
A2u |
3160 |
2978 |
0.943 |
252 |
2276 |
|
|
4 |
A2u |
1097 |
839 |
0.765 |
252 |
2277 |
|
|
5 |
Eg |
1131 |
1083 |
0.958 |
252 |
2278 |
|
|
6 |
Eg |
944 |
912 |
0.966 |
252 |
2279 |
|
|
7 |
Eu |
1238 |
1151 |
0.930 |
252 |
2280 |
|
|
8 |
Eu |
652 |
617 |
0.946 |
252 |
2281 |
|
|
9 |
T1g |
1196 |
1130 |
0.945 |
252 |
2282 |
|
|
10 |
T1u |
3180 |
2978 |
0.936 |
252 |
2283 |
|
|
11 |
T1u |
1267 |
1230 |
0.971 |
252 |
2284 |
|
|
12 |
T1u |
888 |
853 |
0.961 |
252 |
2285 |
|
|
13 |
T2g |
3170 |
2970 |
0.937 |
252 |
2286 |
|
|
14 |
T2g |
1235 |
1182 |
0.957 |
252 |
2287 |
|
|
15 |
T2g |
860 |
821 |
0.955 |
252 |
2288 |
|
|
16 |
T2g |
723 |
665 |
0.920 |
252 |
2289 |
|
|
17 |
T2u |
1092 |
1036 |
0.949 |
252 |
2290 |
|
|
18 |
T2u |
868 |
829 |
0.956 |
252 |
2291 |
C5H12 |
Pentane |
1 |
A1 |
3123 |
2973 |
0.952 |
253 |
2292 |
|
|
2 |
A1 |
3052 |
2892 |
0.948 |
253 |
2293 |
|
|
3 |
A1 |
3049 |
2866 |
0.940 |
253 |
2294 |
|
|
4 |
A1 |
3034 |
2866 |
0.945 |
253 |
2295 |
|
|
5 |
A1 |
1567 |
1480 |
0.945 |
253 |
2296 |
|
|
6 |
A1 |
1553 |
1463 |
0.942 |
253 |
2297 |
|
|
7 |
A1 |
1539 |
1450 |
0.942 |
253 |
2298 |
|
|
8 |
A1 |
1454 |
1379 |
0.948 |
253 |
2299 |
|
|
9 |
A1 |
1394 |
1346 |
0.966 |
253 |
2300 |
|
|
10 |
A1 |
1182 |
1144 |
0.968 |
253 |
2301 |
|
|
11 |
A1 |
1041 |
1036 |
0.995 |
253 |
2302 |
|
|
12 |
A1 |
887 |
867 |
0.977 |
253 |
2303 |
|
|
13 |
A1 |
402 |
401 |
0.997 |
253 |
2304 |
|
|
14 |
A1 |
180 |
179 |
0.996 |
253 |
2305 |
|
|
15 |
A2 |
3123 |
2967 |
0.950 |
253 |
2306 |
|
|
16 |
A2 |
3079 |
2908 |
0.945 |
253 |
2307 |
|
|
17 |
A2 |
1562 |
1462 |
0.936 |
253 |
2308 |
|
|
18 |
A2 |
1371 |
1346 |
0.982 |
253 |
2309 |
|
|
19 |
A2 |
1305 |
1269 |
0.972 |
253 |
2310 |
|
|
20 |
A2 |
1039 |
993 |
0.956 |
253 |
2311 |
|
|
21 |
A2 |
789 |
766 |
0.971 |
253 |
2312 |
|
|
22 |
A2 |
251 |
210 |
0.836 |
253 |
2313 |
|
|
23 |
A2 |
118 |
131 |
1.108 |
253 |
2314 |
|
|
24 |
B1 |
3126 |
2965 |
0.948 |
253 |
2315 |
|
|
25 |
B1 |
3097 |
2930 |
0.946 |
253 |
2316 |
|
|
26 |
B1 |
3062 |
2930 |
0.957 |
253 |
2317 |
|
|
27 |
B1 |
1561 |
1469 |
0.941 |
253 |
2318 |
|
|
28 |
B1 |
1368 |
1303 |
0.953 |
253 |
2319 |
|
|
29 |
B1 |
1232 |
1170 |
0.949 |
253 |
2320 |
|
|
30 |
B1 |
901 |
858 |
0.952 |
253 |
2321 |
|
|
31 |
B1 |
749 |
727 |
0.970 |
253 |
2322 |
|
|
32 |
B1 |
244 |
215 |
0.881 |
253 |
2323 |
|
|
33 |
B1 |
119 |
88 |
0.741 |
253 |
2324 |
|
|
34 |
B2 |
3123 |
2965 |
0.949 |
253 |
2325 |
|
|
35 |
B2 |
3049 |
2879 |
0.944 |
253 |
2326 |
|
|
36 |
B2 |
3044 |
2866 |
0.942 |
253 |
2327 |
|
|
37 |
B2 |
1563 |
1476 |
0.944 |
253 |
2328 |
|
|
38 |
B2 |
1542 |
1456 |
0.944 |
253 |
2329 |
|
|
39 |
B2 |
1457 |
1389 |
0.954 |
253 |
2330 |
|
|
40 |
B2 |
1400 |
1379 |
0.985 |
253 |
2331 |
|
|
41 |
B2 |
1332 |
1269 |
0.953 |
253 |
2332 |
|
|
42 |
B2 |
1089 |
1073 |
0.985 |
253 |
2333 |
|
|
43 |
B2 |
1049 |
1024 |
0.976 |
253 |
2334 |
|
|
44 |
B2 |
933 |
910 |
0.976 |
253 |
2335 |
|
|
45 |
B2 |
404 |
406 |
1.005 |
253 |
2336 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3048 |
2909 |
0.954 |
254 |
2337 |
|
|
2 |
A1 |
1475 |
1381 |
0.936 |
254 |
2338 |
|
|
3 |
A1 |
732 |
733 |
1.001 |
254 |
2339 |
|
|
4 |
A2 |
276 |
198 |
0.717 |
254 |
2340 |
|
|
5 |
E |
3117 |
2955 |
0.948 |
254 |
2341 |
|
|
6 |
E |
1552 |
1451 |
0.935 |
254 |
2342 |
|
|
7 |
E |
1127 |
999 |
0.886 |
254 |
2343 |
|
|
8 |
E |
345 |
335 |
0.970 |
254 |
2344 |
|
|
9 |
T1 |
3116 |
2975 |
0.955 |
254 |
2345 |
|
|
10 |
T1 |
1544 |
1461 |
0.946 |
254 |
2346 |
|
|
11 |
T1 |
1002 |
932 |
0.930 |
254 |
2347 |
|
|
12 |
T1 |
333 |
203 |
0.609 |
254 |
2348 |
|
|
13 |
T2 |
3121 |
2959 |
0.948 |
254 |
2349 |
|
|
14 |
T2 |
3041 |
2876 |
0.946 |
254 |
2350 |
|
|
15 |
T2 |
1581 |
1475 |
0.933 |
254 |
2351 |
|
|
16 |
T2 |
1441 |
1372 |
0.952 |
254 |
2352 |
|
|
17 |
T2 |
1304 |
1256 |
0.963 |
254 |
2353 |
|
|
18 |
T2 |
953 |
925 |
0.970 |
254 |
2354 |
|
|
19 |
T2 |
423 |
418 |
0.987 |
254 |
2355 |
C5H11N |
Piperidine |
1 |
A' |
3458 |
3341 |
0.966 |
255 |
2356 |
|
|
2 |
A' |
3122 |
2947 |
0.944 |
255 |
2357 |
|
|
3 |
A' |
3095 |
2931 |
0.947 |
255 |
2358 |
|
|
4 |
A' |
3091 |
2917 |
0.944 |
255 |
2359 |
|
|
5 |
A' |
3061 |
2892 |
0.945 |
255 |
2360 |
|
|
6 |
A' |
3040 |
2850 |
0.938 |
255 |
2361 |
|
|
7 |
A' |
2922 |
2730 |
0.934 |
255 |
2362 |
|
|
8 |
A' |
1549 |
1476 |
0.953 |
255 |
2363 |
|
|
9 |
A' |
1534 |
1452 |
0.947 |
255 |
2364 |
|
|
10 |
A' |
1528 |
1444 |
0.945 |
255 |
2365 |
|
|
11 |
A' |
1439 |
1386 |
0.963 |
255 |
2366 |
|
|
12 |
A' |
1400 |
1365 |
0.975 |
255 |
2367 |
|
|
13 |
A' |
1333 |
1346 |
1.010 |
255 |
2368 |
|
|
14 |
A' |
1323 |
1266 |
0.957 |
255 |
2369 |
|
|
15 |
A' |
1172 |
1164 |
0.993 |
255 |
2370 |
|
|
16 |
A' |
1079 |
1035 |
0.959 |
255 |
2371 |
|
|
17 |
A' |
1061 |
1006 |
0.948 |
255 |
2372 |
|
|
18 |
A' |
915 |
906 |
0.990 |
255 |
2373 |
|
|
19 |
A' |
879 |
853 |
0.971 |
255 |
2374 |
|
|
20 |
A' |
825 |
822 |
0.997 |
255 |
2375 |
|
|
21 |
A' |
696 |
743 |
1.067 |
255 |
2376 |
|
|
22 |
A' |
532 |
546 |
1.027 |
255 |
2377 |
|
|
23 |
A' |
432 |
432 |
0.999 |
255 |
2378 |
|
|
24 |
A' |
388 |
404 |
1.040 |
255 |
2379 |
|
|
25 |
A' |
240 |
246 |
1.023 |
255 |
2380 |
|
|
26 |
A" |
3115 |
2940 |
0.944 |
255 |
2381 |
|
|
27 |
A" |
3091 |
2902 |
0.939 |
255 |
2382 |
|
|
28 |
A" |
3061 |
2850 |
0.931 |
255 |
2383 |
|
|
29 |
A" |
2916 |
2803 |
0.961 |
255 |
2384 |
|
|
30 |
A" |
1539 |
1468 |
0.954 |
255 |
2385 |
|
|
31 |
A" |
1518 |
1460 |
0.962 |
255 |
2386 |
|
|
32 |
A" |
1511 |
1436 |
0.951 |
255 |
2387 |
|
|
33 |
A" |
1398 |
1332 |
0.953 |
255 |
2388 |
|
|
34 |
A" |
1396 |
1318 |
0.944 |
255 |
2389 |
|
|
35 |
A" |
1368 |
1285 |
0.939 |
255 |
2390 |
|
|
36 |
A" |
1327 |
1258 |
0.948 |
255 |
2391 |
|
|
37 |
A" |
1212 |
1191 |
0.983 |
255 |
2392 |
|
|
38 |
A" |
1199 |
1146 |
0.956 |
255 |
2393 |
|
|
39 |
A" |
1125 |
1115 |
0.991 |
255 |
2394 |
|
|
40 |
A" |
1080 |
1052 |
0.974 |
255 |
2395 |
|
|
41 |
A" |
1004 |
964 |
0.960 |
255 |
2396 |
|
|
42 |
A" |
883 |
874 |
0.990 |
255 |
2397 |
|
|
43 |
A" |
830 |
810 |
0.976 |
255 |
2398 |
|
|
44 |
A" |
449 |
445 |
0.991 |
255 |
2399 |
|
|
45 |
A" |
246 |
254 |
1.035 |
255 |
2400 |
C6H12 |
Cyclohexane |
1 |
A1g |
3088 |
2930 |
0.949 |
256 |
2401 |
|
|
2 |
A1g |
3042 |
2852 |
0.938 |
256 |
2402 |
|
|
3 |
A1g |
1552 |
1465 |
0.944 |
256 |
2403 |
|
|
4 |
A1g |
1194 |
1157 |
0.969 |
256 |
2404 |
|
|
5 |
A1g |
809 |
802 |
0.991 |
256 |
2405 |
|
|
6 |
A1g |
387 |
383 |
0.990 |
256 |
2406 |
|
|
7 |
A1u |
1388 |
1383 |
0.996 |
256 |
2407 |
|
|
8 |
A1u |
1168 |
1157 |
0.990 |
256 |
2408 |
|
|
9 |
A1u |
1093 |
1057 |
0.967 |
256 |
2409 |
|
|
10 |
A2g |
1392 |
1437 |
1.032 |
256 |
2410 |
|
|
11 |
A2g |
1118 |
1090 |
0.975 |
256 |
2411 |
|
|
12 |
A2u |
3105 |
2915 |
0.939 |
256 |
2412 |
|
|
13 |
A2u |
3041 |
2860 |
0.941 |
256 |
2413 |
|
|
14 |
A2u |
1545 |
1437 |
0.930 |
256 |
2414 |
|
|
15 |
A2u |
1063 |
1030 |
0.969 |
256 |
2415 |
|
|
16 |
A2u |
525 |
523 |
0.996 |
256 |
2416 |
|
|
17 |
Eg |
3093 |
2930 |
0.947 |
256 |
2417 |
|
|
18 |
Eg |
3041 |
2897 |
0.953 |
256 |
2418 |
|
|
19 |
Eg |
1530 |
1443 |
0.943 |
256 |
2419 |
|
|
20 |
Eg |
1392 |
1347 |
0.968 |
256 |
2420 |
|
|
21 |
Eg |
1318 |
1266 |
0.960 |
256 |
2421 |
|
|
22 |
Eg |
1055 |
1027 |
0.973 |
256 |
2422 |
|
|
23 |
Eg |
805 |
785 |
0.975 |
256 |
2423 |
|
|
24 |
Eg |
428 |
426 |
0.995 |
256 |
2424 |
|
|
25 |
Eu |
3085 |
2933 |
0.951 |
256 |
2425 |
|
|
26 |
Eu |
3040 |
2863 |
0.942 |
256 |
2426 |
|
|
27 |
Eu |
1530 |
1457 |
0.952 |
256 |
2427 |
|
|
28 |
Eu |
1409 |
1355 |
0.961 |
256 |
2428 |
|
|
29 |
Eu |
1322 |
1261 |
0.954 |
256 |
2429 |
|
|
30 |
Eu |
936 |
907 |
0.969 |
256 |
2430 |
|
|
31 |
Eu |
869 |
863 |
0.993 |
256 |
2431 |
|
|
32 |
Eu |
232 |
248 |
1.070 |
256 |
2432 |
C6H14 |
Hexane |
1 |
Ag |
3123 |
2966 |
0.950 |
257 |
2433 |
|
|
2 |
Ag |
3049 |
2877 |
0.944 |
257 |
2434 |
|
|
3 |
Ag |
3047 |
2863 |
0.939 |
257 |
2435 |
|
|
4 |
Ag |
3032 |
2852 |
0.941 |
257 |
2436 |
|
|
5 |
Ag |
1564 |
1460 |
0.933 |
257 |
2437 |
|
|
6 |
Ag |
1545 |
1460 |
0.945 |
257 |
2438 |
|
|
7 |
Ag |
1536 |
1440 |
0.937 |
257 |
2439 |
|
|
8 |
Ag |
1454 |
1397 |
0.961 |
257 |
2440 |
|
|
9 |
Ag |
1397 |
1366 |
0.978 |
257 |
2441 |
|
|
10 |
Ag |
1370 |
1305 |
0.953 |
257 |
2442 |
|
|
11 |
Ag |
1176 |
1140 |
0.970 |
257 |
2443 |
|
|
12 |
Ag |
1073 |
1065 |
0.992 |
257 |
2444 |
|
|
13 |
Ag |
1007 |
1007 |
1.000 |
257 |
2445 |
|
|
14 |
Ag |
923 |
901 |
0.976 |
257 |
2446 |
|
|
15 |
Ag |
369 |
371 |
1.004 |
257 |
2447 |
|
|
16 |
Ag |
300 |
305 |
1.018 |
257 |
2448 |
|
|
17 |
Au |
3126 |
2967 |
0.949 |
257 |
2449 |
|
|
18 |
Au |
3101 |
2936 |
0.947 |
257 |
2450 |
|
|
19 |
Au |
3071 |
2920 |
0.951 |
257 |
2451 |
|
|
20 |
Au |
1561 |
1460 |
0.935 |
257 |
2452 |
|
|
21 |
Au |
1374 |
1303 |
0.949 |
257 |
2453 |
|
|
22 |
Au |
1289 |
1222 |
0.948 |
257 |
2454 |
|
|
23 |
Au |
1059 |
1010 |
0.954 |
257 |
2455 |
|
|
24 |
Au |
832 |
824 |
0.990 |
257 |
2456 |
|
|
25 |
Au |
746 |
726 |
0.973 |
257 |
2457 |
|
|
26 |
Au |
257 |
216 |
0.840 |
257 |
2458 |
|
|
27 |
Au |
104 |
94 |
0.900 |
257 |
2459 |
|
|
28 |
Au |
73 |
61 |
0.838 |
257 |
2460 |
|
|
29 |
Bg |
3124 |
2966 |
0.949 |
257 |
2461 |
|
|
30 |
Bg |
3087 |
2908 |
0.942 |
257 |
2462 |
|
|
31 |
Bg |
3059 |
2908 |
0.951 |
257 |
2463 |
|
|
32 |
Bg |
1561 |
1460 |
0.935 |
257 |
2464 |
|
|
33 |
Bg |
1368 |
1305 |
0.954 |
257 |
2465 |
|
|
34 |
Bg |
1346 |
1283 |
0.953 |
257 |
2466 |
|
|
35 |
Bg |
1229 |
1168 |
0.950 |
257 |
2467 |
|
|
36 |
Bg |
942 |
894 |
0.950 |
257 |
2468 |
|
|
37 |
Bg |
764 |
740 |
0.968 |
257 |
2469 |
|
|
38 |
Bg |
246 |
208 |
0.845 |
257 |
2470 |
|
|
39 |
Bg |
149 |
125 |
0.837 |
257 |
2471 |
|
|
40 |
Bu |
3123 |
2967 |
0.950 |
257 |
2472 |
|
|
41 |
Bu |
3052 |
2884 |
0.945 |
257 |
2473 |
|
|
42 |
Bu |
3048 |
2867 |
0.941 |
257 |
2474 |
|
|
43 |
Bu |
3036 |
2851 |
0.939 |
257 |
2475 |
|
|
44 |
Bu |
1566 |
1476 |
0.943 |
257 |
2476 |
|
|
45 |
Bu |
1553 |
1465 |
0.943 |
257 |
2477 |
|
|
46 |
Bu |
1536 |
1452 |
0.945 |
257 |
2478 |
|
|
47 |
Bu |
1453 |
1387 |
0.955 |
257 |
2479 |
|
|
48 |
Bu |
1400 |
1375 |
0.982 |
257 |
2480 |
|
|
49 |
Bu |
1311 |
1249 |
0.952 |
257 |
2481 |
|
|
50 |
Bu |
1099 |
1061 |
0.965 |
257 |
2482 |
|
|
51 |
Bu |
1052 |
1035 |
0.984 |
257 |
2483 |
|
|
52 |
Bu |
895 |
888 |
0.993 |
257 |
2484 |
|
|
53 |
Bu |
473 |
470 |
0.994 |
257 |
2485 |
|
|
54 |
Bu |
135 |
139 |
1.033 |
257 |
2486 |