H2 |
Hydrogen diatomic |
1 |
Σg |
4369 |
4161 |
0.953 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1385 |
1360 |
0.982 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
332 |
346 |
1.042 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1156 |
1133 |
0.980 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
154 |
158 |
1.024 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
2001 |
1987 |
0.993 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1424 |
1432 |
1.005 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2220 |
2269 |
1.022 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1600 |
1625 |
1.016 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2721 |
2733 |
1.004 |
10 |
10 |
|
|
1 |
Σ |
3072 |
|
|
10 |
11 |
SiH |
Silylidyne |
1 |
Σ |
1957 |
1971 |
1.007 |
11 |
12 |
NH |
Imidogen |
1 |
Σ |
3161 |
3126 |
0.989 |
12 |
13 |
CN |
Cyano radical |
1 |
Σ |
2084 |
2042 |
0.980 |
13 |
14 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2335 |
2330 |
0.998 |
14 |
15 |
|
|
1 |
Σg |
1498 |
1733 |
1.157 |
14 |
16 |
PH |
phosphorus monohydride |
1 |
Σ |
2298 |
2276 |
0.991 |
15 |
17 |
|
|
1 |
Σ |
2295 |
2319 |
1.010 |
15 |
18 |
PN |
Phosphorus mononitride |
1 |
Σ |
1333 |
1323 |
0.993 |
16 |
19 |
P2 |
Phosphorus diatomic |
1 |
Σg |
778 |
775 |
0.996 |
17 |
20 |
OH |
Hydroxyl radical |
1 |
Σ |
3599 |
3570 |
0.992 |
18 |
21 |
LiO |
lithium oxide |
1 |
Σ |
833 |
799 |
0.959 |
19 |
22 |
BeO |
beryllium oxide |
1 |
Σ |
1478 |
1435 |
0.971 |
20 |
23 |
BO |
boron monoxide |
1 |
Σ |
1848 |
1862 |
1.008 |
21 |
24 |
CO |
Carbon monoxide |
1 |
Σ |
2120 |
2143 |
1.011 |
22 |
25 |
|
|
1 |
Σ |
1751 |
|
|
22 |
26 |
NaO |
sodium monoxide |
1 |
Σ |
500 |
|
|
23 |
27 |
MgO |
magnesium oxide |
1 |
Σ |
824 |
775 |
0.940 |
24 |
28 |
SiO |
Silicon monoxide |
1 |
Σ |
1206 |
1230 |
1.019 |
25 |
29 |
HS |
Mercapto radical |
1 |
Σ |
2631 |
2599 |
0.988 |
26 |
30 |
BeS |
beryllium sulfide |
1 |
Σ |
983 |
986 |
1.002 |
27 |
31 |
BS |
boron sulfide |
1 |
Σ |
1155 |
1167 |
1.011 |
28 |
32 |
CS |
carbon monosulfide |
1 |
Σ |
1247 |
1272 |
1.020 |
29 |
33 |
SO |
Sulfur monoxide |
1 |
Σ |
1100 |
1138 |
1.035 |
30 |
34 |
|
|
1 |
Σ |
1093 |
1054 |
0.964 |
30 |
35 |
MgS |
magnesium sulfide |
1 |
Σ |
524 |
523 |
0.998 |
31 |
36 |
AlS |
Aluminum sulfide |
1 |
Σ |
602 |
610 |
1.014 |
32 |
37 |
SiS |
silicon monosulfide |
1 |
Σ |
722 |
744 |
1.031 |
33 |
38 |
S2 |
Sulfur diatomic |
1 |
Σg |
702 |
720 |
1.026 |
34 |
39 |
HF |
Hydrogen fluoride |
1 |
Σ |
4007 |
3961 |
0.989 |
35 |
40 |
LiF |
lithium fluoride |
1 |
Σ |
965 |
896 |
0.928 |
36 |
41 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1263 |
|
|
37 |
42 |
CF |
Fluoromethylidyne |
1 |
Σ |
1301 |
1286 |
0.989 |
38 |
43 |
NF |
nitrogen fluoride |
1 |
Σ |
1180 |
1123 |
0.952 |
39 |
44 |
F2 |
Fluorine diatomic |
1 |
Σg |
1023 |
894 |
0.874 |
40 |
45 |
NaF |
sodium fluoride |
1 |
Σ |
574 |
529 |
0.920 |
41 |
46 |
AlF |
Aluminum monofluoride |
1 |
Σ |
804 |
793 |
0.986 |
42 |
47 |
SiF |
silicon monofluoride |
1 |
Σ |
837 |
848 |
1.013 |
43 |
48 |
SF |
Monosulfur monofluoride |
1 |
Σ |
816 |
829 |
1.016 |
44 |
49 |
HCl |
Hydrogen chloride |
1 |
Σ |
2914 |
2886 |
0.990 |
45 |
50 |
LiCl |
lithium chloride |
1 |
Σ |
628 |
634 |
1.009 |
46 |
51 |
BeCl |
beryllium monochloride |
1 |
Σ |
822 |
847 |
1.029 |
47 |
52 |
BCl |
boron monochloride |
1 |
Σ |
794 |
829 |
1.045 |
48 |
53 |
CCl |
carbon monochloride |
1 |
Σ |
851 |
866 |
1.018 |
49 |
54 |
ClO |
Monochlorine monoxide |
1 |
Σ |
853 |
843 |
0.988 |
50 |
55 |
ClF |
Chlorine monofluoride |
1 |
Σ |
773 |
773 |
1.001 |
51 |
56 |
NaCl |
Sodium Chloride |
1 |
Σ |
360 |
361 |
1.004 |
52 |
57 |
AlCl |
Aluminum monochloride |
1 |
Σ |
459 |
478 |
1.040 |
53 |
58 |
SiCl |
Clorosilylidyne |
1 |
Σ |
516 |
531 |
1.029 |
54 |
59 |
SCl |
sulfur monochloride |
1 |
Σ |
574 |
577 |
1.006 |
55 |
60 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
546 |
554 |
1.014 |
56 |
61 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2225 |
2159 |
0.970 |
57 |
62 |
|
|
3 |
Πu |
722 |
698 |
0.967 |
57 |
63 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1603 |
1572 |
0.981 |
58 |
64 |
|
|
3 |
Πu |
436 |
440 |
1.009 |
58 |
65 |
BH2 |
boron dihydride |
2 |
A1 |
968 |
954 |
0.985 |
59 |
66 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1761 |
1770 |
1.005 |
60 |
67 |
|
|
2 |
A1 |
741 |
760 |
1.025 |
60 |
68 |
|
|
3 |
B2 |
1809 |
1807 |
0.999 |
60 |
69 |
SiH2 |
silicon dihydride |
1 |
A1 |
1990 |
1996 |
1.003 |
61 |
70 |
|
|
2 |
A1 |
980 |
999 |
1.019 |
61 |
71 |
|
|
3 |
B2 |
1996 |
1993 |
0.998 |
61 |
72 |
NH2 |
Amino radical |
1 |
A1 |
3251 |
3219 |
0.990 |
62 |
73 |
|
|
2 |
A1 |
1528 |
1497 |
0.980 |
62 |
74 |
|
|
3 |
B2 |
3346 |
3301 |
0.987 |
62 |
75 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3407 |
3312 |
0.972 |
63 |
76 |
|
|
2 |
Σ |
2118 |
2089 |
0.986 |
63 |
77 |
|
|
3 |
Π |
766 |
712 |
0.930 |
63 |
78 |
HCP |
Phosphaethyne |
1 |
Σ |
3303 |
3217 |
0.974 |
64 |
79 |
|
|
2 |
Σ |
1301 |
1278 |
0.983 |
64 |
80 |
|
|
3 |
Π |
720 |
674 |
0.936 |
64 |
81 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2004 |
2095 |
1.046 |
65 |
82 |
|
|
2 |
A' |
1174 |
1188 |
1.012 |
65 |
83 |
|
|
3 |
A' |
967 |
986 |
1.019 |
65 |
84 |
H2O |
Water |
1 |
A1 |
3706 |
3657 |
0.987 |
66 |
85 |
|
|
2 |
A1 |
1641 |
1595 |
0.972 |
66 |
86 |
|
|
3 |
B2 |
3814 |
3756 |
0.985 |
66 |
87 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1267 |
1246 |
0.983 |
67 |
88 |
HBO |
Boron hydride oxide |
1 |
Σ |
2836 |
2850 |
1.005 |
68 |
89 |
|
|
2 |
Σ |
1812 |
1826 |
1.008 |
68 |
90 |
|
|
3 |
Π |
764 |
756 |
0.989 |
68 |
91 |
HCO |
Formyl radical |
1 |
A' |
2556 |
2434 |
0.953 |
69 |
92 |
|
|
2 |
A' |
1880 |
1868 |
0.993 |
69 |
93 |
|
|
3 |
A' |
1081 |
1081 |
1.000 |
69 |
94 |
HNO |
Nitrosyl hydride |
1 |
A' |
2608 |
2684 |
1.029 |
70 |
95 |
|
|
2 |
A' |
1615 |
1565 |
0.969 |
70 |
96 |
|
|
3 |
A' |
1516 |
1501 |
0.990 |
70 |
97 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3399 |
3436 |
1.011 |
71 |
98 |
|
|
2 |
A' |
1401 |
1392 |
0.993 |
71 |
99 |
|
|
3 |
A' |
1134 |
1098 |
0.968 |
71 |
100 |
CO2 |
Carbon dioxide |
1 |
Σg |
1329 |
1333 |
1.003 |
72 |
101 |
|
|
2 |
Σu |
2385 |
2349 |
0.985 |
72 |
102 |
|
|
3 |
Πu |
657 |
667 |
1.015 |
72 |
103 |
N2O |
Nitrous oxide |
1 |
Σ |
2302 |
2224 |
0.966 |
73 |
104 |
|
|
2 |
Σ |
1314 |
1285 |
0.978 |
73 |
105 |
|
|
3 |
Π |
603 |
589 |
0.977 |
73 |
106 |
SiO2 |
silicon dioxide |
2 |
Σu |
1413 |
1416 |
1.002 |
74 |
107 |
|
|
3 |
Πu |
288 |
273 |
0.945 |
74 |
108 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2641 |
2615 |
0.990 |
75 |
109 |
|
|
2 |
A1 |
1171 |
1183 |
1.010 |
75 |
110 |
|
|
3 |
B2 |
2660 |
2626 |
0.987 |
75 |
111 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2787 |
2736 |
0.982 |
76 |
112 |
|
|
2 |
Σ |
1163 |
1172 |
1.008 |
76 |
113 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2089 |
2062 |
0.987 |
77 |
114 |
|
|
2 |
Σ |
867 |
859 |
0.991 |
77 |
115 |
|
|
3 |
Π |
517 |
520 |
1.005 |
77 |
116 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1105 |
1151 |
1.042 |
78 |
117 |
|
|
2 |
A1 |
487 |
518 |
1.063 |
78 |
118 |
|
|
3 |
B2 |
1312 |
1362 |
1.038 |
78 |
119 |
CS2 |
Carbon disulfide |
1 |
Σg |
661 |
658 |
0.996 |
79 |
120 |
|
|
2 |
Σu |
1562 |
1535 |
0.983 |
79 |
121 |
|
|
3 |
Πu |
398 |
397 |
0.997 |
79 |
122 |
SSO |
Disulfur monoxide |
1 |
A' |
1140 |
1166 |
1.023 |
80 |
123 |
|
|
2 |
A' |
660 |
679 |
1.029 |
80 |
124 |
|
|
3 |
A' |
361 |
380 |
1.053 |
80 |
125 |
HCF |
Fluoromethylene |
1 |
A' |
2588 |
2643 |
1.021 |
81 |
126 |
|
|
2 |
A' |
1411 |
1403 |
0.994 |
81 |
127 |
|
|
3 |
A' |
1212 |
1189 |
0.981 |
81 |
128 |
HOF |
Hypofluorous acid |
1 |
A' |
3619 |
3578 |
0.989 |
82 |
129 |
|
|
2 |
A' |
1365 |
1362 |
0.998 |
82 |
130 |
|
|
3 |
A' |
961 |
893 |
0.929 |
82 |
131 |
CF2 |
Difluoromethylene |
1 |
A1 |
1206 |
1225 |
1.016 |
83 |
132 |
|
|
2 |
A1 |
644 |
667 |
1.035 |
83 |
133 |
|
|
3 |
B2 |
1095 |
1114 |
1.018 |
83 |
134 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1842 |
1844 |
1.001 |
84 |
135 |
|
|
2 |
A' |
807 |
766 |
0.949 |
84 |
136 |
|
|
3 |
A' |
534 |
520 |
0.973 |
84 |
137 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1086 |
1075 |
0.990 |
85 |
138 |
|
|
2 |
A1 |
552 |
573 |
1.038 |
85 |
139 |
|
|
3 |
B2 |
931 |
942 |
1.012 |
85 |
140 |
F2O |
Difluorine monoxide |
1 |
A1 |
991 |
928 |
0.937 |
86 |
141 |
|
|
2 |
A1 |
457 |
461 |
1.010 |
86 |
142 |
|
|
3 |
B2 |
826 |
831 |
1.006 |
86 |
143 |
HOCl |
hypochlorous acid |
1 |
A' |
3659 |
3609 |
0.986 |
87 |
144 |
|
|
2 |
A' |
1240 |
1239 |
0.999 |
87 |
145 |
|
|
3 |
A' |
723 |
724 |
1.002 |
87 |
146 |
ClCN |
chlorocyanogen |
1 |
Σ |
2231 |
2216 |
0.993 |
88 |
147 |
|
|
2 |
Σ |
738 |
744 |
1.008 |
88 |
148 |
|
|
3 |
Π |
405 |
378 |
0.934 |
88 |
149 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1850 |
1800 |
0.973 |
89 |
150 |
|
|
2 |
A' |
605 |
596 |
0.985 |
89 |
151 |
|
|
3 |
A' |
336 |
332 |
0.989 |
89 |
152 |
OClO |
Chlorine dioxide |
1 |
A1 |
909 |
946 |
1.040 |
90 |
153 |
|
|
2 |
A1 |
415 |
448 |
1.078 |
90 |
154 |
|
|
3 |
B2 |
1062 |
1110 |
1.045 |
90 |
155 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
643 |
639 |
0.994 |
91 |
156 |
|
|
2 |
A1 |
281 |
296 |
1.054 |
91 |
157 |
|
|
3 |
B2 |
587 |
686 |
1.169 |
91 |
158 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
499 |
522 |
1.045 |
92 |
159 |
|
|
2 |
A1 |
184 |
201 |
1.088 |
92 |
160 |
|
|
3 |
B2 |
497 |
509 |
1.024 |
92 |
161 |
BH3 |
boron trihydride |
2 |
A2" |
1125 |
1148 |
1.020 |
93 |
162 |
|
|
3 |
E' |
2657 |
2602 |
0.979 |
93 |
163 |
|
|
4 |
E' |
1158 |
1197 |
1.033 |
93 |
164 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1869 |
1900 |
1.016 |
94 |
165 |
|
|
2 |
A2" |
681 |
698 |
1.024 |
94 |
166 |
|
|
3 |
E' |
1887 |
1883 |
0.998 |
94 |
167 |
|
|
4 |
E' |
761 |
783 |
1.029 |
94 |
168 |
C2H2 |
Acetylene |
1 |
Σg |
3485 |
3374 |
0.968 |
95 |
169 |
|
|
2 |
Σg |
2018 |
1974 |
0.978 |
95 |
170 |
|
|
3 |
Σu |
3386 |
3289 |
0.971 |
95 |
171 |
|
|
4 |
Πg |
482 |
612 |
1.269 |
95 |
172 |
|
|
5 |
Πu |
760 |
730 |
0.961 |
95 |
173 |
SiH3 |
Silyl radical |
1 |
A1 |
2136 |
2136 |
1.000 |
96 |
174 |
|
|
2 |
A1 |
706 |
728 |
1.032 |
96 |
175 |
|
|
3 |
E |
2182 |
2185 |
1.001 |
96 |
176 |
|
|
4 |
E |
894 |
922 |
1.032 |
96 |
177 |
NH3 |
Ammonia |
1 |
A1 |
3373 |
3337 |
0.989 |
97 |
178 |
|
|
2 |
A1 |
1101 |
950 |
0.863 |
97 |
179 |
|
|
3 |
E |
3496 |
3444 |
0.985 |
97 |
180 |
|
|
4 |
E |
1642 |
1627 |
0.991 |
97 |
181 |
C2N2 |
Cyanogen |
1 |
Σg |
2331 |
2330 |
1.000 |
98 |
182 |
|
|
2 |
Σg |
873 |
846 |
0.970 |
98 |
183 |
|
|
3 |
Σu |
2173 |
2158 |
0.993 |
98 |
184 |
|
|
4 |
Πg |
568 |
503 |
0.886 |
98 |
185 |
|
|
5 |
Πu |
252 |
234 |
0.929 |
98 |
186 |
PH3 |
Phosphine |
1 |
A1 |
2334 |
2323 |
0.995 |
99 |
187 |
|
|
2 |
A1 |
980 |
992 |
1.012 |
99 |
188 |
|
|
3 |
E |
2351 |
2328 |
0.990 |
99 |
189 |
|
|
4 |
E |
1098 |
1118 |
1.018 |
99 |
190 |
P4 |
Phosphorus tetramer |
1 |
A1 |
604 |
601 |
0.994 |
100 |
191 |
|
|
2 |
E |
374 |
361 |
0.965 |
100 |
192 |
|
|
3 |
T2 |
465 |
467 |
1.005 |
100 |
193 |
H2CO |
Formaldehyde |
1 |
A1 |
2793 |
2782 |
0.996 |
101 |
194 |
|
|
2 |
A1 |
1794 |
1746 |
0.973 |
101 |
195 |
|
|
3 |
A1 |
1497 |
1500 |
1.002 |
101 |
196 |
|
|
4 |
B1 |
1153 |
1167 |
1.012 |
101 |
197 |
|
|
5 |
B2 |
2829 |
2843 |
1.005 |
101 |
198 |
|
|
6 |
B2 |
1230 |
1249 |
1.016 |
101 |
199 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3641 |
3599 |
0.988 |
102 |
200 |
|
|
2 |
A |
1397 |
1402 |
1.004 |
102 |
201 |
|
|
3 |
A |
917 |
877 |
0.956 |
102 |
202 |
|
|
4 |
A |
377 |
371 |
0.985 |
102 |
203 |
|
|
5 |
B |
3641 |
3608 |
0.991 |
102 |
204 |
|
|
6 |
B |
1300 |
1266 |
0.974 |
102 |
205 |
HNCO |
Isocyanic acid |
1 |
A' |
3617 |
3538 |
0.978 |
103 |
206 |
|
|
2 |
A' |
2309 |
2269 |
0.983 |
103 |
207 |
|
|
3 |
A' |
1298 |
1327 |
1.023 |
103 |
208 |
|
|
4 |
A' |
797 |
777 |
0.974 |
103 |
209 |
|
|
5 |
A' |
562 |
577 |
1.027 |
103 |
210 |
|
|
6 |
A" |
619 |
656 |
1.061 |
103 |
211 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2063 |
2060 |
0.999 |
104 |
212 |
|
|
2 |
Σg |
610 |
585 |
0.958 |
104 |
213 |
|
|
3 |
Σu |
1897 |
1898 |
1.000 |
104 |
214 |
|
|
4 |
Πg |
493 |
410 |
0.832 |
104 |
215 |
|
|
5 |
Πu |
209 |
213 |
1.017 |
104 |
216 |
H2CS |
Thioformaldehyde |
1 |
A1 |
2995 |
2971 |
0.992 |
105 |
217 |
|
|
2 |
A1 |
1437 |
1456 |
1.013 |
105 |
218 |
|
|
3 |
A1 |
1070 |
1059 |
0.990 |
105 |
219 |
|
|
4 |
B1 |
989 |
990 |
1.002 |
105 |
220 |
|
|
5 |
B2 |
3079 |
3025 |
0.982 |
105 |
221 |
|
|
6 |
B2 |
965 |
991 |
1.027 |
105 |
222 |
H2S2 |
Disulfane |
1 |
A |
2570 |
2556 |
0.995 |
106 |
223 |
|
|
2 |
A |
866 |
882 |
1.019 |
106 |
224 |
|
|
3 |
A |
510 |
515 |
1.009 |
106 |
225 |
|
|
4 |
A |
448 |
417 |
0.931 |
106 |
226 |
|
|
5 |
B |
2573 |
2559 |
0.994 |
106 |
227 |
|
|
6 |
B |
869 |
878 |
1.011 |
106 |
228 |
SO3 |
Sulfur trioxide |
1 |
A1' |
1011 |
1065 |
1.054 |
107 |
229 |
|
|
2 |
A2" |
463 |
498 |
1.075 |
107 |
230 |
|
|
3 |
E' |
1339 |
1391 |
1.039 |
107 |
231 |
|
|
4 |
E' |
490 |
530 |
1.082 |
107 |
232 |
BHF2 |
Difluoroborane |
1 |
A1 |
2625 |
2621 |
0.998 |
108 |
233 |
|
|
2 |
A1 |
1158 |
1164 |
1.005 |
108 |
234 |
|
|
3 |
A1 |
529 |
542 |
1.024 |
108 |
235 |
|
|
4 |
B1 |
908 |
924 |
1.017 |
108 |
236 |
|
|
5 |
B2 |
1429 |
1402 |
0.981 |
108 |
237 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1932 |
1928 |
0.998 |
109 |
238 |
|
|
2 |
A1 |
952 |
965 |
1.013 |
109 |
239 |
|
|
3 |
A1 |
565 |
584 |
1.033 |
109 |
240 |
|
|
4 |
B1 |
761 |
774 |
1.017 |
109 |
241 |
|
|
5 |
B2 |
1227 |
1249 |
1.018 |
109 |
242 |
|
|
6 |
B2 |
595 |
626 |
1.052 |
109 |
243 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
875 |
888 |
1.015 |
110 |
244 |
|
|
2 |
A2" |
676 |
691 |
1.023 |
110 |
245 |
|
|
3 |
E' |
1453 |
1449 |
0.997 |
110 |
246 |
|
|
4 |
E' |
468 |
480 |
1.026 |
110 |
247 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1498 |
1523 |
1.017 |
111 |
248 |
|
|
2 |
Ag |
1033 |
1018 |
0.985 |
111 |
249 |
|
|
3 |
Ag |
605 |
603 |
0.997 |
111 |
250 |
|
|
4 |
Au |
356 |
364 |
1.022 |
111 |
251 |
|
|
5 |
Bu |
1010 |
991 |
0.982 |
111 |
252 |
|
|
6 |
Bu |
407 |
423 |
1.039 |
111 |
253 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1054 |
1089 |
1.033 |
112 |
254 |
|
|
2 |
A1 |
679 |
701 |
1.032 |
112 |
255 |
|
|
3 |
E |
1232 |
1260 |
1.023 |
112 |
256 |
|
|
4 |
E |
486 |
509 |
1.046 |
112 |
257 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1026 |
1032 |
1.006 |
113 |
258 |
|
|
2 |
A1 |
619 |
647 |
1.045 |
113 |
259 |
|
|
3 |
E |
848 |
907 |
1.070 |
113 |
260 |
|
|
4 |
E |
462 |
492 |
1.065 |
113 |
261 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
686 |
690 |
1.007 |
114 |
262 |
|
|
2 |
A2" |
283 |
297 |
1.050 |
114 |
263 |
|
|
3 |
E' |
957 |
935 |
0.977 |
114 |
264 |
|
|
4 |
E' |
230 |
263 |
1.145 |
114 |
265 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
849 |
892 |
1.051 |
115 |
266 |
|
|
2 |
A1 |
447 |
487 |
1.089 |
115 |
267 |
|
|
3 |
E |
837 |
860 |
1.028 |
115 |
268 |
|
|
4 |
E |
317 |
344 |
1.086 |
115 |
269 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2654 |
2617 |
0.986 |
116 |
270 |
|
|
2 |
A1 |
719 |
740 |
1.030 |
116 |
271 |
|
|
4 |
B1 |
756 |
784 |
1.038 |
116 |
272 |
|
|
5 |
B2 |
1055 |
1089 |
1.033 |
116 |
273 |
|
|
6 |
B2 |
882 |
892 |
1.011 |
116 |
274 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1328 |
1267 |
0.954 |
117 |
275 |
|
|
2 |
A1 |
774 |
793 |
1.025 |
117 |
276 |
|
|
3 |
A1 |
355 |
364 |
1.024 |
117 |
277 |
|
|
4 |
B1 |
645 |
652 |
1.011 |
117 |
278 |
|
|
5 |
B2 |
1801 |
1684 |
0.935 |
117 |
279 |
|
|
6 |
B2 |
388 |
408 |
1.051 |
117 |
280 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
690 |
752 |
1.090 |
118 |
281 |
|
|
2 |
A1 |
514 |
529 |
1.028 |
118 |
282 |
|
|
3 |
A1 |
274 |
328 |
1.196 |
118 |
283 |
|
|
4 |
B1 |
314 |
328 |
1.046 |
118 |
284 |
|
|
5 |
B2 |
720 |
702 |
0.975 |
118 |
285 |
|
|
6 |
B2 |
378 |
442 |
1.169 |
118 |
286 |
CCl2O |
Phosgene |
1 |
A1 |
1845 |
1827 |
0.990 |
119 |
287 |
|
|
2 |
A1 |
557 |
567 |
1.017 |
119 |
288 |
|
|
3 |
A1 |
292 |
285 |
0.977 |
119 |
289 |
|
|
4 |
B1 |
571 |
580 |
1.016 |
119 |
290 |
|
|
5 |
B2 |
793 |
849 |
1.070 |
119 |
291 |
|
|
6 |
B2 |
420 |
440 |
1.048 |
119 |
292 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
822 |
820 |
0.998 |
120 |
293 |
|
|
2 |
A1 |
493 |
500 |
1.014 |
120 |
294 |
|
|
3 |
A1 |
222 |
250 |
1.124 |
120 |
295 |
|
|
4 |
B1 |
252 |
260 |
1.033 |
120 |
296 |
|
|
5 |
B2 |
952 |
900 |
0.946 |
120 |
297 |
|
|
6 |
B2 |
181 |
200 |
1.105 |
120 |
298 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
462 |
471 |
1.020 |
121 |
299 |
|
|
2 |
A2" |
438 |
460 |
1.049 |
121 |
300 |
|
|
3 |
E' |
935 |
956 |
1.022 |
121 |
301 |
|
|
4 |
E' |
245 |
243 |
0.992 |
121 |
302 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
886 |
850 |
0.960 |
122 |
303 |
|
|
2 |
A1 |
423 |
450 |
1.064 |
122 |
304 |
|
|
3 |
A1 |
146 |
150 |
1.026 |
122 |
305 |
|
|
4 |
B1 |
224 |
220 |
0.981 |
122 |
306 |
|
|
5 |
B2 |
616 |
610 |
0.991 |
122 |
307 |
|
|
6 |
B2 |
196 |
200 |
1.022 |
122 |
308 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
372 |
375 |
1.008 |
123 |
309 |
|
|
2 |
A2" |
197 |
183 |
0.930 |
123 |
310 |
|
|
3 |
E' |
607 |
595 |
0.981 |
123 |
311 |
|
|
4 |
E' |
141 |
150 |
1.061 |
123 |
312 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
497 |
504 |
1.015 |
124 |
313 |
|
|
2 |
A1 |
241 |
252 |
1.045 |
124 |
314 |
|
|
3 |
E |
482 |
482 |
0.999 |
124 |
315 |
|
|
4 |
E |
172 |
198 |
1.148 |
124 |
316 |
CH4 |
Methane |
1 |
A1 |
2983 |
2917 |
0.978 |
125 |
317 |
|
|
2 |
E |
1517 |
1534 |
1.011 |
125 |
318 |
|
|
3 |
T2 |
3109 |
3019 |
0.971 |
125 |
319 |
|
|
4 |
T2 |
1288 |
1306 |
1.014 |
125 |
320 |
SiH4 |
Silane |
1 |
A1 |
2175 |
2187 |
1.006 |
126 |
321 |
|
|
2 |
E |
936 |
975 |
1.041 |
126 |
322 |
|
|
3 |
T2 |
2191 |
2191 |
1.000 |
126 |
323 |
|
|
4 |
T2 |
867 |
914 |
1.054 |
126 |
324 |
CH2NH |
Methanimine |
1 |
A' |
3336 |
3263 |
0.978 |
127 |
325 |
|
|
2 |
A' |
3042 |
3024 |
0.994 |
127 |
326 |
|
|
3 |
A' |
2942 |
2914 |
0.991 |
127 |
327 |
|
|
4 |
A' |
1671 |
1638 |
0.981 |
127 |
328 |
|
|
5 |
A' |
1450 |
1452 |
1.002 |
127 |
329 |
|
|
6 |
A' |
1327 |
1344 |
1.013 |
127 |
330 |
|
|
7 |
A' |
1035 |
1058 |
1.022 |
127 |
331 |
|
|
8 |
A" |
1140 |
1127 |
0.988 |
127 |
332 |
|
|
9 |
A" |
1049 |
1061 |
1.012 |
127 |
333 |
CH2CO |
Ketene |
1 |
A1 |
3136 |
3070 |
0.979 |
128 |
334 |
|
|
2 |
A1 |
2197 |
2152 |
0.979 |
128 |
335 |
|
|
3 |
A1 |
1358 |
1388 |
1.022 |
128 |
336 |
|
|
4 |
A1 |
1145 |
1118 |
0.977 |
128 |
337 |
|
|
5 |
B1 |
569 |
588 |
1.034 |
128 |
338 |
|
|
6 |
B1 |
491 |
528 |
1.075 |
128 |
339 |
|
|
7 |
B2 |
3230 |
3166 |
0.980 |
128 |
340 |
|
|
8 |
B2 |
949 |
977 |
1.029 |
128 |
341 |
|
|
9 |
B2 |
430 |
433 |
1.007 |
128 |
342 |
HCOOH |
Formic acid |
1 |
A' |
3603 |
3570 |
0.991 |
129 |
343 |
|
|
2 |
A' |
2959 |
2943 |
0.994 |
129 |
344 |
|
|
3 |
A' |
1794 |
1770 |
0.986 |
129 |
345 |
|
|
4 |
A' |
1363 |
1387 |
1.017 |
129 |
346 |
|
|
5 |
A' |
1277 |
1229 |
0.962 |
129 |
347 |
|
|
6 |
A' |
1091 |
1105 |
1.013 |
129 |
348 |
|
|
7 |
A' |
603 |
625 |
1.037 |
129 |
349 |
|
|
8 |
A" |
1014 |
1033 |
1.019 |
129 |
350 |
|
|
9 |
A" |
699 |
638 |
0.913 |
129 |
351 |
HNO3 |
Nitric acid |
1 |
A' |
3609 |
3550 |
0.984 |
130 |
352 |
|
|
2 |
A' |
1756 |
1708 |
0.973 |
130 |
353 |
|
|
3 |
A' |
1323 |
1331 |
1.006 |
130 |
354 |
|
|
4 |
A' |
1279 |
1325 |
1.036 |
130 |
355 |
|
|
5 |
A' |
865 |
879 |
1.017 |
130 |
356 |
|
|
6 |
A' |
616 |
647 |
1.050 |
130 |
357 |
|
|
7 |
A' |
555 |
579 |
1.042 |
130 |
358 |
|
|
8 |
A" |
755 |
762 |
1.009 |
130 |
359 |
|
|
9 |
A" |
508 |
456 |
0.897 |
130 |
360 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2214 |
2196 |
0.992 |
131 |
361 |
|
|
2 |
Σg |
766 |
786 |
1.027 |
131 |
362 |
|
|
3 |
Σu |
2389 |
2258 |
0.945 |
131 |
363 |
|
|
4 |
Σu |
1597 |
1573 |
0.985 |
131 |
364 |
|
|
5 |
Πg |
573 |
573 |
1.001 |
131 |
365 |
|
|
6 |
Πu |
571 |
550 |
0.963 |
131 |
366 |
|
|
7 |
Πu |
89 |
61 |
0.683 |
131 |
367 |
CH3F |
Methyl fluoride |
1 |
A1 |
2938 |
2930 |
0.997 |
132 |
368 |
|
|
2 |
A1 |
1461 |
1464 |
1.002 |
132 |
369 |
|
|
3 |
A1 |
1078 |
1049 |
0.973 |
132 |
370 |
|
|
4 |
E |
3016 |
3006 |
0.997 |
132 |
371 |
|
|
5 |
E |
1444 |
1467 |
1.016 |
132 |
372 |
|
|
6 |
E |
1169 |
1182 |
1.011 |
132 |
373 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
2928 |
2948 |
1.007 |
133 |
374 |
|
|
2 |
A1 |
1485 |
1508 |
1.016 |
133 |
375 |
|
|
3 |
A1 |
1105 |
1111 |
1.005 |
133 |
376 |
|
|
4 |
A1 |
516 |
529 |
1.024 |
133 |
377 |
|
|
5 |
A2 |
1226 |
1262 |
1.029 |
133 |
378 |
|
|
6 |
B1 |
2986 |
3014 |
1.009 |
133 |
379 |
|
|
7 |
B1 |
1156 |
1178 |
1.019 |
133 |
380 |
|
|
8 |
B2 |
1435 |
1435 |
1.000 |
133 |
381 |
|
|
9 |
B2 |
1095 |
1090 |
0.995 |
133 |
382 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
2997 |
3036 |
1.013 |
134 |
383 |
|
|
2 |
A1 |
1114 |
1117 |
1.003 |
134 |
384 |
|
|
3 |
A1 |
681 |
700 |
1.028 |
134 |
385 |
|
|
4 |
E |
1358 |
1372 |
1.011 |
134 |
386 |
|
|
5 |
E |
1136 |
1152 |
1.014 |
134 |
387 |
|
|
6 |
E |
488 |
507 |
1.038 |
134 |
388 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
882 |
909 |
1.030 |
135 |
389 |
|
|
2 |
E |
413 |
435 |
1.053 |
135 |
390 |
|
|
3 |
T2 |
1239 |
1283 |
1.036 |
135 |
391 |
|
|
4 |
T2 |
603 |
631 |
1.046 |
135 |
392 |
SiH3F |
monofluorosilane |
1 |
A1 |
2174 |
2206 |
1.015 |
136 |
393 |
|
|
2 |
A1 |
970 |
990 |
1.021 |
136 |
394 |
|
|
3 |
A1 |
857 |
872 |
1.018 |
136 |
395 |
|
|
4 |
E |
2183 |
2196 |
1.006 |
136 |
396 |
|
|
5 |
E |
918 |
956 |
1.042 |
136 |
397 |
|
|
6 |
E |
701 |
728 |
1.039 |
136 |
398 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
759 |
800 |
1.054 |
137 |
399 |
|
|
2 |
E |
252 |
268 |
1.065 |
137 |
400 |
|
|
3 |
T2 |
1008 |
1032 |
1.024 |
137 |
401 |
|
|
4 |
T2 |
370 |
389 |
1.053 |
137 |
402 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1375 |
1417 |
1.031 |
138 |
403 |
|
|
2 |
A1 |
816 |
873 |
1.070 |
138 |
404 |
|
|
3 |
A1 |
449 |
472 |
1.051 |
138 |
405 |
|
|
4 |
E |
951 |
991 |
1.043 |
138 |
406 |
|
|
5 |
E |
436 |
482 |
1.105 |
138 |
407 |
|
|
6 |
E |
309 |
336 |
1.087 |
138 |
408 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3010 |
2966 |
0.985 |
139 |
409 |
|
|
2 |
A1 |
1327 |
1355 |
1.021 |
139 |
410 |
|
|
3 |
A1 |
724 |
732 |
1.011 |
139 |
411 |
|
|
4 |
E |
3117 |
3042 |
0.976 |
139 |
412 |
|
|
5 |
E |
1430 |
1455 |
1.017 |
139 |
413 |
|
|
6 |
E |
992 |
1015 |
1.023 |
139 |
414 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2181 |
2201 |
1.009 |
140 |
415 |
|
|
2 |
A1 |
910 |
949 |
1.043 |
140 |
416 |
|
|
3 |
A1 |
534 |
551 |
1.032 |
140 |
417 |
|
|
4 |
E |
2199 |
2195 |
0.998 |
140 |
418 |
|
|
5 |
E |
912 |
954 |
1.046 |
140 |
419 |
|
|
6 |
E |
633 |
664 |
1.049 |
140 |
420 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3048 |
2999 |
0.984 |
141 |
421 |
|
|
2 |
A1 |
1404 |
1467 |
1.045 |
141 |
422 |
|
|
3 |
A1 |
699 |
717 |
1.025 |
141 |
423 |
|
|
4 |
A1 |
273 |
282 |
1.032 |
141 |
424 |
|
|
5 |
A2 |
1124 |
1153 |
1.026 |
141 |
425 |
|
|
6 |
B1 |
3130 |
3040 |
0.971 |
141 |
426 |
|
|
7 |
B1 |
871 |
898 |
1.031 |
141 |
427 |
|
|
8 |
B2 |
1233 |
1268 |
1.028 |
141 |
428 |
|
|
9 |
B2 |
720 |
758 |
1.053 |
141 |
429 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1044 |
1105 |
1.059 |
142 |
430 |
|
|
2 |
A1 |
755 |
781 |
1.034 |
142 |
431 |
|
|
3 |
A1 |
443 |
476 |
1.074 |
142 |
432 |
|
|
4 |
E |
1211 |
1212 |
1.001 |
142 |
433 |
|
|
5 |
E |
542 |
563 |
1.039 |
142 |
434 |
|
|
6 |
E |
329 |
350 |
1.064 |
142 |
435 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2194 |
2224 |
1.014 |
143 |
436 |
|
|
2 |
A1 |
913 |
954 |
1.045 |
143 |
437 |
|
|
3 |
A1 |
508 |
527 |
1.037 |
143 |
438 |
|
|
4 |
A1 |
177 |
188 |
1.063 |
143 |
439 |
|
|
5 |
A2 |
677 |
710 |
1.049 |
143 |
440 |
|
|
6 |
B1 |
2212 |
2237 |
1.011 |
143 |
441 |
|
|
7 |
B1 |
568 |
602 |
1.060 |
143 |
442 |
|
|
8 |
B2 |
835 |
876 |
1.049 |
143 |
443 |
|
|
9 |
B2 |
570 |
590 |
1.034 |
143 |
444 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
999 |
1061 |
1.062 |
144 |
445 |
|
|
2 |
A1 |
682 |
715 |
1.048 |
144 |
446 |
|
|
3 |
A1 |
491 |
549 |
1.118 |
144 |
447 |
|
|
4 |
E |
1256 |
1315 |
1.047 |
144 |
448 |
|
|
5 |
E |
529 |
589 |
1.113 |
144 |
449 |
|
|
6 |
E |
357 |
405 |
1.135 |
144 |
450 |
CHCl3 |
Chloroform |
1 |
A1 |
3099 |
3034 |
0.979 |
145 |
451 |
|
|
2 |
A1 |
656 |
680 |
1.036 |
145 |
452 |
|
|
3 |
A1 |
356 |
366 |
1.027 |
145 |
453 |
|
|
4 |
E |
1178 |
1220 |
1.035 |
145 |
454 |
|
|
5 |
E |
723 |
774 |
1.071 |
145 |
455 |
|
|
6 |
E |
249 |
260 |
1.042 |
145 |
456 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1090 |
1101 |
1.010 |
146 |
457 |
|
|
2 |
A1 |
649 |
667 |
1.028 |
146 |
458 |
|
|
3 |
A1 |
434 |
458 |
1.056 |
146 |
459 |
|
|
4 |
A1 |
245 |
262 |
1.067 |
146 |
460 |
|
|
5 |
A2 |
306 |
322 |
1.052 |
146 |
461 |
|
|
6 |
B1 |
827 |
902 |
1.091 |
146 |
462 |
|
|
7 |
B1 |
414 |
437 |
1.055 |
146 |
463 |
|
|
8 |
B2 |
1178 |
1159 |
0.984 |
146 |
464 |
|
|
9 |
B2 |
418 |
446 |
1.068 |
146 |
465 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1108 |
1085 |
0.979 |
147 |
466 |
|
|
2 |
A1 |
515 |
535 |
1.038 |
147 |
467 |
|
|
3 |
A1 |
334 |
350 |
1.048 |
147 |
468 |
|
|
4 |
E |
774 |
847 |
1.094 |
147 |
469 |
|
|
5 |
E |
383 |
394 |
1.029 |
147 |
470 |
|
|
6 |
E |
231 |
241 |
1.041 |
147 |
471 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1147 |
1205 |
1.051 |
148 |
472 |
|
|
2 |
A1 |
526 |
577 |
1.098 |
148 |
473 |
|
|
3 |
A1 |
367 |
408 |
1.112 |
148 |
474 |
|
|
4 |
A1 |
189 |
218 |
1.155 |
148 |
475 |
|
|
5 |
A2 |
251 |
282 |
1.124 |
148 |
476 |
|
|
6 |
B1 |
544 |
586 |
1.077 |
148 |
477 |
|
|
7 |
B1 |
347 |
388 |
1.117 |
148 |
478 |
|
|
8 |
B2 |
1393 |
1434 |
1.030 |
148 |
479 |
|
|
9 |
B2 |
330 |
362 |
1.096 |
148 |
480 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2224 |
2261 |
1.017 |
149 |
481 |
|
|
2 |
A1 |
476 |
499 |
1.049 |
149 |
482 |
|
|
3 |
A1 |
239 |
254 |
1.061 |
149 |
483 |
|
|
4 |
E |
769 |
811 |
1.055 |
149 |
484 |
|
|
5 |
E |
582 |
600 |
1.031 |
149 |
485 |
|
|
6 |
E |
164 |
176 |
1.074 |
149 |
486 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
448 |
459 |
1.025 |
150 |
487 |
|
|
2 |
E |
208 |
217 |
1.044 |
150 |
488 |
|
|
3 |
T2 |
732 |
776 |
1.061 |
150 |
489 |
|
|
4 |
T2 |
305 |
314 |
1.031 |
150 |
490 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1282 |
1322 |
1.031 |
151 |
491 |
|
|
2 |
A1 |
456 |
481 |
1.055 |
151 |
492 |
|
|
3 |
A1 |
248 |
266 |
1.072 |
151 |
493 |
|
|
4 |
E |
560 |
590 |
1.053 |
151 |
494 |
|
|
5 |
E |
310 |
333 |
1.075 |
151 |
495 |
|
|
6 |
E |
175 |
187 |
1.067 |
151 |
496 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
401 |
424 |
1.058 |
152 |
497 |
|
|
2 |
E |
137 |
150 |
1.095 |
152 |
498 |
|
|
3 |
T2 |
599 |
621 |
1.037 |
152 |
499 |
|
|
4 |
T2 |
208 |
221 |
1.061 |
152 |
500 |
C2H4 |
Ethylene |
1 |
Ag |
3091 |
3026 |
0.979 |
153 |
501 |
|
|
2 |
Ag |
1650 |
1623 |
0.984 |
153 |
502 |
|
|
3 |
Ag |
1345 |
1342 |
0.998 |
153 |
503 |
|
|
4 |
Au |
1043 |
1023 |
0.981 |
153 |
504 |
|
|
5 |
B1u |
3075 |
2989 |
0.972 |
153 |
505 |
|
|
6 |
B1u |
1420 |
1444 |
1.016 |
153 |
506 |
|
|
7 |
B2g |
920 |
940 |
1.022 |
153 |
507 |
|
|
8 |
B2u |
3178 |
3105 |
0.977 |
153 |
508 |
|
|
9 |
B2u |
795 |
826 |
1.039 |
153 |
509 |
|
|
10 |
B3g |
3150 |
3086 |
0.980 |
153 |
510 |
|
|
11 |
B3g |
1195 |
1217 |
1.018 |
153 |
511 |
|
|
12 |
B3u |
943 |
949 |
1.007 |
153 |
512 |
C3H3 |
Propargyl radical |
1 |
A1 |
3431 |
3322 |
0.968 |
154 |
513 |
|
|
6 |
B1 |
655 |
687 |
1.049 |
154 |
514 |
|
|
7 |
B1 |
412 |
490 |
1.188 |
154 |
515 |
N2H4 |
Hydrazine |
1 |
A |
3449 |
3398 |
0.985 |
155 |
516 |
|
|
2 |
A |
3347 |
3329 |
0.995 |
155 |
517 |
|
|
3 |
A |
1641 |
1642 |
1.001 |
155 |
518 |
|
|
4 |
A |
1318 |
1275 |
0.967 |
155 |
519 |
|
|
5 |
A |
1118 |
1076 |
0.962 |
155 |
520 |
|
|
6 |
A |
793 |
780 |
0.983 |
155 |
521 |
|
|
7 |
A |
409 |
377 |
0.922 |
155 |
522 |
|
|
8 |
B |
3457 |
3350 |
0.969 |
155 |
523 |
|
|
9 |
B |
3330 |
3314 |
0.995 |
155 |
524 |
|
|
10 |
B |
1628 |
1628 |
1.000 |
155 |
525 |
|
|
11 |
B |
1274 |
1275 |
1.001 |
155 |
526 |
|
|
12 |
B |
1023 |
966 |
0.944 |
155 |
527 |
CH3CN |
Acetonitrile |
1 |
A1 |
2988 |
2954 |
0.989 |
156 |
528 |
|
|
2 |
A1 |
2288 |
2267 |
0.991 |
156 |
529 |
|
|
3 |
A1 |
1352 |
1385 |
1.025 |
156 |
530 |
|
|
4 |
A1 |
923 |
920 |
0.996 |
156 |
531 |
|
|
5 |
E |
3069 |
3009 |
0.980 |
156 |
532 |
|
|
6 |
E |
1420 |
1448 |
1.019 |
156 |
533 |
|
|
7 |
E |
1017 |
1041 |
1.023 |
156 |
534 |
|
|
8 |
E |
383 |
362 |
0.945 |
156 |
535 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2290 |
2290 |
1.000 |
157 |
536 |
|
|
2 |
Σg |
2126 |
2119 |
0.997 |
157 |
537 |
|
|
3 |
Σg |
614 |
692 |
1.128 |
157 |
538 |
|
|
4 |
Σu |
2253 |
2241 |
0.995 |
157 |
539 |
|
|
5 |
Σu |
1186 |
1154 |
0.973 |
157 |
540 |
|
|
6 |
Πg |
593 |
504 |
0.850 |
157 |
541 |
|
|
7 |
Πg |
276 |
263 |
0.952 |
157 |
542 |
|
|
8 |
Πu |
531 |
472 |
0.889 |
157 |
543 |
|
|
9 |
Πu |
111 |
107 |
0.964 |
157 |
544 |
CH3OH |
Methyl alcohol |
1 |
A' |
3726 |
3681 |
0.988 |
158 |
545 |
|
|
2 |
A' |
3045 |
3000 |
0.985 |
158 |
546 |
|
|
3 |
A' |
2906 |
2844 |
0.979 |
158 |
547 |
|
|
4 |
A' |
1465 |
1477 |
1.008 |
158 |
548 |
|
|
5 |
A' |
1435 |
1455 |
1.014 |
158 |
549 |
|
|
6 |
A' |
1355 |
1345 |
0.993 |
158 |
550 |
|
|
7 |
A' |
1071 |
1060 |
0.990 |
158 |
551 |
|
|
8 |
A' |
1027 |
1033 |
1.006 |
158 |
552 |
|
|
9 |
A" |
2951 |
2960 |
1.003 |
158 |
553 |
|
|
10 |
A" |
1443 |
1477 |
1.023 |
158 |
554 |
|
|
11 |
A" |
1136 |
1165 |
1.026 |
158 |
555 |
|
|
12 |
A" |
325 |
200 |
0.616 |
158 |
556 |
C2H2O2 |
Ethanedial |
1 |
Ag |
2837 |
2843 |
1.002 |
159 |
557 |
|
|
2 |
Ag |
1754 |
1745 |
0.995 |
159 |
558 |
|
|
3 |
Ag |
1333 |
1338 |
1.004 |
159 |
559 |
|
|
4 |
Ag |
1032 |
1065 |
1.032 |
159 |
560 |
|
|
5 |
Ag |
534 |
551 |
1.032 |
159 |
561 |
|
|
6 |
Au |
777 |
801 |
1.030 |
159 |
562 |
|
|
7 |
Au |
127 |
127 |
0.999 |
159 |
563 |
|
|
8 |
Bg |
1037 |
1048 |
1.011 |
159 |
564 |
|
|
9 |
Bu |
2830 |
2835 |
1.002 |
159 |
565 |
|
|
10 |
Bu |
1761 |
1732 |
0.983 |
159 |
566 |
|
|
11 |
Bu |
1286 |
1312 |
1.020 |
159 |
567 |
|
|
12 |
Bu |
305 |
339 |
1.113 |
159 |
568 |
CH3SH |
Methanethiol |
1 |
A' |
3095 |
3000 |
0.969 |
160 |
569 |
|
|
2 |
A' |
2997 |
2931 |
0.978 |
160 |
570 |
|
|
3 |
A' |
2626 |
2597 |
0.989 |
160 |
571 |
|
|
4 |
A' |
1435 |
1475 |
1.028 |
160 |
572 |
|
|
5 |
A' |
1302 |
1335 |
1.025 |
160 |
573 |
|
|
6 |
A' |
1060 |
1074 |
1.013 |
160 |
574 |
|
|
7 |
A' |
777 |
803 |
1.033 |
160 |
575 |
|
|
8 |
A' |
695 |
708 |
1.018 |
160 |
576 |
|
|
9 |
A" |
3093 |
3000 |
0.970 |
160 |
577 |
|
|
10 |
A" |
1424 |
1430 |
1.004 |
160 |
578 |
|
|
11 |
A" |
937 |
976 |
1.042 |
160 |
579 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3216 |
3115 |
0.969 |
161 |
580 |
|
|
2 |
A' |
3123 |
3080 |
0.986 |
161 |
581 |
|
|
3 |
A' |
3105 |
3052 |
0.983 |
161 |
582 |
|
|
4 |
A' |
1675 |
1654 |
0.987 |
161 |
583 |
|
|
5 |
A' |
1371 |
1380 |
1.007 |
161 |
584 |
|
|
6 |
A' |
1301 |
1306 |
1.004 |
161 |
585 |
|
|
7 |
A' |
1161 |
1156 |
0.996 |
161 |
586 |
|
|
8 |
A' |
920 |
929 |
1.010 |
161 |
587 |
|
|
9 |
A' |
466 |
483 |
1.037 |
161 |
588 |
|
|
10 |
A" |
944 |
940 |
0.995 |
161 |
589 |
|
|
11 |
A" |
822 |
863 |
1.049 |
161 |
590 |
|
|
12 |
A" |
718 |
711 |
0.991 |
161 |
591 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3146 |
3070 |
0.976 |
162 |
592 |
|
|
2 |
A1 |
1740 |
1728 |
0.993 |
162 |
593 |
|
|
3 |
A1 |
1361 |
1360 |
1.000 |
162 |
594 |
|
|
4 |
A1 |
931 |
926 |
0.994 |
162 |
595 |
|
|
5 |
A1 |
542 |
550 |
1.016 |
162 |
596 |
|
|
6 |
A2 |
696 |
714 |
1.025 |
162 |
597 |
|
|
7 |
B1 |
752 |
803 |
1.068 |
162 |
598 |
|
|
8 |
B1 |
632 |
611 |
0.966 |
162 |
599 |
|
|
9 |
B2 |
3250 |
3154 |
0.970 |
162 |
600 |
|
|
10 |
B2 |
1305 |
1302 |
0.998 |
162 |
601 |
|
|
11 |
B2 |
930 |
955 |
1.027 |
162 |
602 |
|
|
12 |
B2 |
421 |
438 |
1.040 |
162 |
603 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2295 |
2275 |
0.991 |
163 |
604 |
|
|
2 |
A1 |
1187 |
1227 |
1.034 |
163 |
605 |
|
|
3 |
A1 |
790 |
802 |
1.015 |
163 |
606 |
|
|
4 |
A1 |
505 |
522 |
1.034 |
163 |
607 |
|
|
5 |
E |
1173 |
1214 |
1.035 |
163 |
608 |
|
|
6 |
E |
608 |
618 |
1.016 |
163 |
609 |
|
|
7 |
E |
450 |
463 |
1.030 |
163 |
610 |
|
|
8 |
E |
190 |
196 |
1.029 |
163 |
611 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1851 |
1872 |
1.012 |
164 |
612 |
|
|
2 |
Ag |
781 |
778 |
0.996 |
164 |
613 |
|
|
3 |
Ag |
385 |
394 |
1.023 |
164 |
614 |
|
|
4 |
Au |
189 |
190 |
1.005 |
164 |
615 |
|
|
5 |
B1u |
1177 |
1186 |
1.008 |
164 |
616 |
|
|
6 |
B1u |
539 |
558 |
1.036 |
164 |
617 |
|
|
7 |
B2g |
465 |
508 |
1.092 |
164 |
618 |
|
|
8 |
B2u |
1324 |
1337 |
1.010 |
164 |
619 |
|
|
9 |
B2u |
191 |
218 |
1.139 |
164 |
620 |
|
|
10 |
B3g |
1317 |
1340 |
1.017 |
164 |
621 |
|
|
11 |
B3g |
530 |
551 |
1.040 |
164 |
622 |
|
|
12 |
B3u |
410 |
406 |
0.991 |
164 |
623 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
757 |
816 |
1.078 |
165 |
624 |
|
|
2 |
A1' |
633 |
648 |
1.023 |
165 |
625 |
|
|
3 |
A2" |
956 |
947 |
0.990 |
165 |
626 |
|
|
4 |
A2" |
540 |
575 |
1.065 |
165 |
627 |
|
|
5 |
E' |
975 |
1024 |
1.050 |
165 |
628 |
|
|
6 |
E' |
502 |
533 |
1.063 |
165 |
629 |
|
|
7 |
E' |
157 |
174 |
1.107 |
165 |
630 |
|
|
8 |
E" |
479 |
520 |
1.087 |
165 |
631 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3659 |
3602 |
0.984 |
166 |
632 |
|
|
2 |
A |
1440 |
1486 |
1.032 |
166 |
633 |
|
|
3 |
A |
1192 |
1243 |
1.043 |
166 |
634 |
|
|
4 |
A |
1130 |
1150 |
1.018 |
166 |
635 |
|
|
5 |
A |
837 |
896 |
1.071 |
166 |
636 |
|
|
6 |
A |
765 |
823 |
1.076 |
166 |
637 |
|
|
7 |
A |
507 |
562 |
1.109 |
166 |
638 |
|
|
8 |
A |
493 |
551 |
1.118 |
166 |
639 |
|
|
9 |
A |
475 |
518 |
1.091 |
166 |
640 |
|
|
10 |
A |
392 |
409 |
1.043 |
166 |
641 |
|
|
11 |
A |
341 |
390 |
1.145 |
166 |
642 |
|
|
12 |
A |
267 |
266 |
0.997 |
166 |
643 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3199 |
3121 |
0.976 |
167 |
644 |
|
|
2 |
A' |
3149 |
3086 |
0.980 |
167 |
645 |
|
|
3 |
A' |
3102 |
3030 |
0.977 |
167 |
646 |
|
|
4 |
A' |
1624 |
1608 |
0.990 |
167 |
647 |
|
|
5 |
A' |
1358 |
1368 |
1.008 |
167 |
648 |
|
|
6 |
A' |
1256 |
1279 |
1.018 |
167 |
649 |
|
|
7 |
A' |
1001 |
1030 |
1.029 |
167 |
650 |
|
|
8 |
A' |
705 |
720 |
1.021 |
167 |
651 |
|
|
9 |
A' |
385 |
395 |
1.026 |
167 |
652 |
|
|
10 |
A" |
945 |
941 |
0.996 |
167 |
653 |
|
|
11 |
A" |
870 |
896 |
1.030 |
167 |
654 |
|
|
12 |
A" |
619 |
620 |
1.002 |
167 |
655 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3119 |
3035 |
0.973 |
168 |
656 |
|
|
2 |
A1 |
1622 |
1627 |
1.003 |
168 |
657 |
|
|
3 |
A1 |
1353 |
1400 |
1.035 |
168 |
658 |
|
|
4 |
A1 |
595 |
603 |
1.013 |
168 |
659 |
|
|
5 |
A1 |
291 |
299 |
1.027 |
168 |
660 |
|
|
6 |
A2 |
668 |
686 |
1.026 |
168 |
661 |
|
|
7 |
B1 |
837 |
875 |
1.046 |
168 |
662 |
|
|
8 |
B1 |
463 |
460 |
0.992 |
168 |
663 |
|
|
9 |
B2 |
3220 |
3130 |
0.972 |
168 |
664 |
|
|
10 |
B2 |
1055 |
1095 |
1.038 |
168 |
665 |
|
|
11 |
B2 |
758 |
800 |
1.055 |
168 |
666 |
|
|
12 |
B2 |
363 |
372 |
1.025 |
168 |
667 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3164 |
3077 |
0.973 |
169 |
668 |
|
|
2 |
A1 |
1608 |
1587 |
0.987 |
169 |
669 |
|
|
3 |
A1 |
1165 |
1179 |
1.012 |
169 |
670 |
|
|
4 |
A1 |
711 |
711 |
0.999 |
169 |
671 |
|
|
5 |
A1 |
159 |
173 |
1.089 |
169 |
672 |
|
|
6 |
A2 |
846 |
876 |
1.035 |
169 |
673 |
|
|
7 |
A2 |
408 |
406 |
0.995 |
169 |
674 |
|
|
8 |
B1 |
684 |
697 |
1.019 |
169 |
675 |
|
|
9 |
B2 |
3143 |
3072 |
0.977 |
169 |
676 |
|
|
10 |
B2 |
1262 |
1303 |
1.033 |
169 |
677 |
|
|
11 |
B2 |
842 |
857 |
1.018 |
169 |
678 |
|
|
12 |
B2 |
566 |
571 |
1.009 |
169 |
679 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3167 |
3073 |
0.970 |
170 |
680 |
|
|
2 |
Ag |
1600 |
1578 |
0.986 |
170 |
681 |
|
|
3 |
Ag |
1252 |
1274 |
1.017 |
170 |
682 |
|
|
4 |
Ag |
834 |
846 |
1.014 |
170 |
683 |
|
|
5 |
Ag |
346 |
350 |
1.013 |
170 |
684 |
|
|
6 |
Au |
895 |
900 |
1.005 |
170 |
685 |
|
|
7 |
Au |
210 |
227 |
1.080 |
170 |
686 |
|
|
8 |
Bg |
747 |
763 |
1.021 |
170 |
687 |
|
|
9 |
Bu |
3164 |
3090 |
0.977 |
170 |
688 |
|
|
10 |
Bu |
1167 |
1200 |
1.028 |
170 |
689 |
|
|
11 |
Bu |
818 |
828 |
1.013 |
170 |
690 |
|
|
12 |
Bu |
228 |
250 |
1.098 |
170 |
691 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3171 |
3082 |
0.972 |
171 |
692 |
|
|
2 |
A' |
1597 |
1586 |
0.993 |
171 |
693 |
|
|
3 |
A' |
1216 |
1247 |
1.026 |
171 |
694 |
|
|
4 |
A' |
901 |
931 |
1.033 |
171 |
695 |
|
|
5 |
A' |
834 |
840 |
1.007 |
171 |
696 |
|
|
6 |
A' |
623 |
630 |
1.011 |
171 |
697 |
|
|
7 |
A' |
380 |
384 |
1.009 |
171 |
698 |
|
|
8 |
A' |
269 |
277 |
1.029 |
171 |
699 |
|
|
9 |
A' |
164 |
178 |
1.088 |
171 |
700 |
|
|
10 |
A" |
760 |
780 |
1.026 |
171 |
701 |
|
|
11 |
A" |
455 |
451 |
0.992 |
171 |
702 |
|
|
12 |
A" |
199 |
215 |
1.078 |
171 |
703 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1107 |
1122 |
1.014 |
172 |
704 |
|
|
2 |
A1 |
394 |
401 |
1.018 |
172 |
705 |
|
|
3 |
A1 |
166 |
176 |
1.061 |
172 |
706 |
|
|
5 |
B2 |
710 |
728 |
1.025 |
172 |
707 |
|
|
6 |
B2 |
279 |
289 |
1.035 |
172 |
708 |
|
|
7 |
E |
892 |
917 |
1.028 |
172 |
709 |
|
|
8 |
E |
473 |
512 |
1.081 |
172 |
710 |
|
|
9 |
E |
90 |
104 |
1.160 |
172 |
711 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1572 |
1571 |
0.999 |
173 |
712 |
|
|
2 |
Ag |
446 |
447 |
1.002 |
173 |
713 |
|
|
3 |
Ag |
230 |
237 |
1.028 |
173 |
714 |
|
|
4 |
Au |
95 |
110 |
1.153 |
173 |
715 |
|
|
5 |
B1u |
768 |
777 |
1.011 |
173 |
716 |
|
|
6 |
B1u |
306 |
310 |
1.014 |
173 |
717 |
|
|
7 |
B2g |
506 |
512 |
1.012 |
173 |
718 |
|
|
8 |
B2u |
888 |
908 |
1.023 |
173 |
719 |
|
|
9 |
B2u |
170 |
176 |
1.034 |
173 |
720 |
|
|
10 |
B3g |
952 |
1000 |
1.051 |
173 |
721 |
|
|
11 |
B3g |
340 |
347 |
1.020 |
173 |
722 |
|
|
12 |
B3u |
284 |
288 |
1.016 |
173 |
723 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
371 |
394 |
1.062 |
174 |
724 |
|
|
2 |
A1' |
275 |
264 |
0.960 |
174 |
725 |
|
|
3 |
A2" |
457 |
465 |
1.018 |
174 |
726 |
|
|
4 |
A2" |
285 |
299 |
1.048 |
174 |
727 |
|
|
5 |
E' |
549 |
592 |
1.079 |
174 |
728 |
|
|
6 |
E' |
259 |
273 |
1.054 |
174 |
729 |
|
|
7 |
E' |
82 |
100 |
1.221 |
174 |
730 |
|
|
8 |
E" |
248 |
282 |
1.139 |
174 |
731 |
CH3CCH |
propyne |
1 |
A1 |
3442 |
3334 |
0.969 |
175 |
732 |
|
|
2 |
A1 |
2968 |
2918 |
0.983 |
175 |
733 |
|
|
3 |
A1 |
2182 |
2124 |
0.973 |
175 |
734 |
|
|
4 |
A1 |
1358 |
1382 |
1.018 |
175 |
735 |
|
|
5 |
A1 |
942 |
931 |
0.989 |
175 |
736 |
|
|
6 |
E |
3037 |
3008 |
0.990 |
175 |
737 |
|
|
7 |
E |
1426 |
1452 |
1.019 |
175 |
738 |
|
|
8 |
E |
1012 |
1053 |
1.040 |
175 |
739 |
|
|
9 |
E |
567 |
633 |
1.117 |
175 |
740 |
|
|
10 |
E |
319 |
328 |
1.029 |
175 |
741 |
CH2CCH2 |
allene |
1 |
A1 |
3073 |
3015 |
0.981 |
176 |
742 |
|
|
2 |
A1 |
1433 |
1443 |
1.007 |
176 |
743 |
|
|
3 |
A1 |
1091 |
1073 |
0.984 |
176 |
744 |
|
|
4 |
B1 |
865 |
865 |
1.000 |
176 |
745 |
|
|
5 |
B2 |
3069 |
3007 |
0.980 |
176 |
746 |
|
|
6 |
B2 |
2025 |
1957 |
0.967 |
176 |
747 |
|
|
7 |
B2 |
1375 |
1398 |
1.017 |
176 |
748 |
|
|
8 |
E |
3145 |
3086 |
0.981 |
176 |
749 |
|
|
9 |
E |
979 |
999 |
1.020 |
176 |
750 |
|
|
10 |
E |
816 |
841 |
1.031 |
176 |
751 |
|
|
11 |
E |
367 |
355 |
0.968 |
176 |
752 |
C3H4 |
cyclopropene |
1 |
A1 |
3247 |
3158 |
0.973 |
177 |
753 |
|
|
2 |
A1 |
2977 |
2909 |
0.977 |
177 |
754 |
|
|
3 |
A1 |
1697 |
1653 |
0.974 |
177 |
755 |
|
|
4 |
A1 |
1476 |
1483 |
1.005 |
177 |
756 |
|
|
5 |
A1 |
1149 |
1110 |
0.966 |
177 |
757 |
|
|
6 |
A1 |
912 |
905 |
0.992 |
177 |
758 |
|
|
7 |
A2 |
991 |
996 |
1.005 |
177 |
759 |
|
|
8 |
A2 |
838 |
820 |
0.979 |
177 |
760 |
|
|
9 |
B1 |
3041 |
2995 |
0.985 |
177 |
761 |
|
|
10 |
B1 |
1081 |
1088 |
1.007 |
177 |
762 |
|
|
11 |
B1 |
607 |
569 |
0.938 |
177 |
763 |
|
|
12 |
B2 |
3199 |
3124 |
0.977 |
177 |
764 |
|
|
13 |
B2 |
1037 |
1043 |
1.006 |
177 |
765 |
|
|
14 |
B2 |
996 |
1011 |
1.015 |
177 |
766 |
|
|
15 |
B2 |
786 |
769 |
0.978 |
177 |
767 |
CH3NH2 |
methyl amine |
1 |
A' |
3407 |
3361 |
0.987 |
178 |
768 |
|
|
2 |
A' |
3001 |
2961 |
0.987 |
178 |
769 |
|
|
3 |
A' |
2894 |
2820 |
0.974 |
178 |
770 |
|
|
4 |
A' |
1618 |
1623 |
1.003 |
178 |
771 |
|
|
5 |
A' |
1448 |
1473 |
1.017 |
178 |
772 |
|
|
6 |
A' |
1408 |
1430 |
1.015 |
178 |
773 |
|
|
7 |
A' |
1150 |
1130 |
0.983 |
178 |
774 |
|
|
8 |
A' |
1048 |
1044 |
0.996 |
178 |
775 |
|
|
9 |
A' |
842 |
780 |
0.926 |
178 |
776 |
|
|
10 |
A" |
3486 |
3427 |
0.983 |
178 |
777 |
|
|
11 |
A" |
3044 |
2985 |
0.981 |
178 |
778 |
|
|
12 |
A" |
1470 |
1485 |
1.010 |
178 |
779 |
|
|
13 |
A" |
1319 |
1335 |
1.012 |
178 |
780 |
|
|
14 |
A" |
954 |
|
|
178 |
781 |
|
|
15 |
A" |
317 |
268 |
0.845 |
178 |
782 |
C3H3N |
acrylonitrile |
1 |
A' |
3201 |
3125 |
0.976 |
179 |
783 |
|
|
2 |
A' |
3111 |
3078 |
0.989 |
179 |
784 |
|
|
3 |
A' |
3103 |
3042 |
0.980 |
179 |
785 |
|
|
4 |
A' |
2253 |
2239 |
0.994 |
179 |
786 |
|
|
5 |
A' |
1627 |
1615 |
0.992 |
179 |
787 |
|
|
6 |
A' |
1397 |
1416 |
1.014 |
179 |
788 |
|
|
7 |
A' |
1274 |
1282 |
1.006 |
179 |
789 |
|
|
8 |
A' |
1073 |
1096 |
1.021 |
179 |
790 |
|
|
9 |
A' |
869 |
869 |
1.000 |
179 |
791 |
|
|
10 |
A' |
562 |
570 |
1.014 |
179 |
792 |
|
|
11 |
A' |
230 |
242 |
1.052 |
179 |
793 |
|
|
12 |
A" |
976 |
972 |
0.996 |
179 |
794 |
|
|
13 |
A" |
936 |
954 |
1.019 |
179 |
795 |
|
|
14 |
A" |
698 |
683 |
0.979 |
179 |
796 |
|
|
15 |
A" |
349 |
362 |
1.039 |
179 |
797 |
C3H2N2 |
Malononitrile |
1 |
A1 |
2979 |
2935 |
0.985 |
180 |
798 |
|
|
2 |
A1 |
2298 |
2275 |
0.990 |
180 |
799 |
|
|
3 |
A1 |
1383 |
1395 |
1.009 |
180 |
800 |
|
|
4 |
A1 |
882 |
890 |
1.009 |
180 |
801 |
|
|
5 |
A1 |
569 |
582 |
1.023 |
180 |
802 |
|
|
6 |
A1 |
141 |
167 |
1.180 |
180 |
803 |
|
|
7 |
A2 |
1189 |
1220 |
1.026 |
180 |
804 |
|
|
8 |
A2 |
373 |
367 |
0.983 |
180 |
805 |
|
|
9 |
B1 |
3020 |
2968 |
0.983 |
180 |
806 |
|
|
10 |
B1 |
897 |
933 |
1.040 |
180 |
807 |
|
|
11 |
B1 |
340 |
337 |
0.991 |
180 |
808 |
|
|
12 |
B2 |
2291 |
2275 |
0.993 |
180 |
809 |
|
|
13 |
B2 |
1280 |
1318 |
1.030 |
180 |
810 |
|
|
14 |
B2 |
971 |
982 |
1.011 |
180 |
811 |
|
|
15 |
B2 |
368 |
366 |
0.994 |
180 |
812 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3569 |
3447 |
0.966 |
181 |
813 |
|
|
2 |
A' |
3221 |
3102 |
0.963 |
181 |
814 |
|
|
3 |
A' |
1448 |
1441 |
0.995 |
181 |
815 |
|
|
4 |
A' |
1410 |
1384 |
0.982 |
181 |
816 |
|
|
5 |
A' |
1239 |
1259 |
1.016 |
181 |
817 |
|
|
6 |
A' |
1213 |
1159 |
0.956 |
181 |
818 |
|
|
7 |
A' |
1116 |
1084 |
0.971 |
181 |
819 |
|
|
8 |
A' |
1031 |
1015 |
0.985 |
181 |
820 |
|
|
9 |
A' |
1020 |
1002 |
0.982 |
181 |
821 |
|
|
10 |
A' |
975 |
969 |
0.994 |
181 |
822 |
|
|
11 |
A' |
935 |
925 |
0.990 |
181 |
823 |
|
|
12 |
A" |
818 |
906 |
1.107 |
181 |
824 |
|
|
13 |
A" |
721 |
663 |
0.920 |
181 |
825 |
|
|
14 |
A" |
674 |
658 |
0.977 |
181 |
826 |
|
|
15 |
A" |
567 |
578 |
1.019 |
181 |
827 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3099 |
3014 |
0.973 |
182 |
828 |
|
|
2 |
A' |
2969 |
2923 |
0.984 |
182 |
829 |
|
|
3 |
A' |
2768 |
2716 |
0.981 |
182 |
830 |
|
|
4 |
A' |
1785 |
1743 |
0.976 |
182 |
831 |
|
|
5 |
A' |
1408 |
1433 |
1.018 |
182 |
832 |
|
|
6 |
A' |
1383 |
1395 |
1.009 |
182 |
833 |
|
|
7 |
A' |
1313 |
1352 |
1.029 |
182 |
834 |
|
|
8 |
A' |
1090 |
1114 |
1.022 |
182 |
835 |
|
|
9 |
A' |
861 |
867 |
1.006 |
182 |
836 |
|
|
10 |
A' |
484 |
509 |
1.052 |
182 |
837 |
|
|
11 |
A" |
3037 |
2964 |
0.976 |
182 |
838 |
|
|
12 |
A" |
1419 |
1431 |
1.009 |
182 |
839 |
|
|
13 |
A" |
1091 |
1102 |
1.010 |
182 |
840 |
|
|
14 |
A" |
739 |
764 |
1.034 |
182 |
841 |
|
|
15 |
A" |
166 |
150 |
0.905 |
182 |
842 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3016 |
3006 |
0.997 |
183 |
843 |
|
|
2 |
A1 |
1492 |
1467 |
0.983 |
183 |
844 |
|
|
3 |
A1 |
1280 |
1267 |
0.990 |
183 |
845 |
|
|
4 |
A1 |
1107 |
1146 |
1.035 |
183 |
846 |
|
|
5 |
A1 |
893 |
857 |
0.960 |
183 |
847 |
|
|
6 |
A2 |
3089 |
3063 |
0.992 |
183 |
848 |
|
|
7 |
A2 |
1134 |
1050 |
0.926 |
183 |
849 |
|
|
8 |
A2 |
1008 |
1020 |
1.012 |
183 |
850 |
|
|
9 |
B1 |
3105 |
3065 |
0.987 |
183 |
851 |
|
|
10 |
B1 |
1132 |
1146 |
1.013 |
183 |
852 |
|
|
11 |
B1 |
787 |
797 |
1.012 |
183 |
853 |
|
|
12 |
B2 |
3008 |
3006 |
0.999 |
183 |
854 |
|
|
13 |
B2 |
1455 |
1459 |
1.003 |
183 |
855 |
|
|
14 |
B2 |
1101 |
1159 |
1.053 |
183 |
856 |
|
|
15 |
B2 |
846 |
824 |
0.974 |
183 |
857 |
H2SO4 |
Sulfuric acid |
1 |
A |
3666 |
3563 |
0.972 |
184 |
858 |
|
|
2 |
A |
1171 |
1216 |
1.038 |
184 |
859 |
|
|
3 |
A |
1116 |
1136 |
1.018 |
184 |
860 |
|
|
4 |
A |
762 |
831 |
1.092 |
184 |
861 |
|
|
5 |
A |
500 |
548 |
1.096 |
184 |
862 |
|
|
6 |
A |
410 |
422 |
1.030 |
184 |
863 |
|
|
7 |
A |
339 |
379 |
1.117 |
184 |
864 |
|
|
8 |
A |
218 |
224 |
1.028 |
184 |
865 |
|
|
9 |
B |
3662 |
3567 |
0.974 |
184 |
866 |
|
|
10 |
B |
1431 |
1452 |
1.015 |
184 |
867 |
|
|
11 |
B |
1133 |
1157 |
1.021 |
184 |
868 |
|
|
12 |
B |
829 |
882 |
1.063 |
184 |
869 |
|
|
13 |
B |
511 |
558 |
1.093 |
184 |
870 |
|
|
14 |
B |
458 |
506 |
1.106 |
184 |
871 |
|
|
15 |
B |
309 |
288 |
0.931 |
184 |
872 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3121 |
3043 |
0.975 |
185 |
873 |
|
|
2 |
A' |
2999 |
2955 |
0.985 |
185 |
874 |
|
|
3 |
A' |
1866 |
1870 |
1.002 |
185 |
875 |
|
|
4 |
A' |
1416 |
1440 |
1.017 |
185 |
876 |
|
|
5 |
A' |
1338 |
1378 |
1.030 |
185 |
877 |
|
|
6 |
A' |
1178 |
1188 |
1.008 |
185 |
878 |
|
|
7 |
A' |
969 |
1000 |
1.032 |
185 |
879 |
|
|
8 |
A' |
831 |
826 |
0.994 |
185 |
880 |
|
|
9 |
A' |
582 |
598 |
1.028 |
185 |
881 |
|
|
10 |
A' |
394 |
420 |
1.065 |
185 |
882 |
|
|
11 |
A" |
3072 |
3004 |
0.978 |
185 |
883 |
|
|
12 |
A" |
1422 |
1437 |
1.010 |
185 |
884 |
|
|
13 |
A" |
1024 |
1054 |
1.029 |
185 |
885 |
|
|
14 |
A" |
551 |
567 |
1.030 |
185 |
886 |
|
|
15 |
A" |
120 |
123 |
1.028 |
185 |
887 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
706 |
774 |
1.095 |
186 |
888 |
|
|
2 |
Eg |
608 |
642 |
1.055 |
186 |
889 |
|
|
3 |
T1u |
914 |
948 |
1.036 |
186 |
890 |
|
|
4 |
T1u |
565 |
616 |
1.090 |
186 |
891 |
|
|
5 |
T2g |
479 |
525 |
1.097 |
186 |
892 |
|
|
6 |
T2u |
318 |
347 |
1.090 |
186 |
893 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3108 |
3027 |
0.974 |
187 |
894 |
|
|
2 |
A' |
2998 |
2948 |
0.983 |
187 |
895 |
|
|
3 |
A' |
1865 |
1818 |
0.975 |
187 |
896 |
|
|
4 |
A' |
1409 |
1415 |
1.004 |
187 |
897 |
|
|
5 |
A' |
1327 |
1368 |
1.031 |
187 |
898 |
|
|
6 |
A' |
1074 |
1108 |
1.032 |
187 |
899 |
|
|
7 |
A' |
934 |
956 |
1.023 |
187 |
900 |
|
|
8 |
A' |
585 |
604 |
1.033 |
187 |
901 |
|
|
9 |
A' |
418 |
445 |
1.064 |
187 |
902 |
|
|
10 |
A' |
331 |
348 |
1.050 |
187 |
903 |
|
|
11 |
A" |
3079 |
2990 |
0.971 |
187 |
904 |
|
|
12 |
A" |
1411 |
1431 |
1.014 |
187 |
905 |
|
|
13 |
A" |
1001 |
1032 |
1.031 |
187 |
906 |
|
|
14 |
A" |
503 |
518 |
1.031 |
187 |
907 |
|
|
15 |
A" |
131 |
166 |
1.264 |
187 |
908 |
C2H6 |
Ethane |
1 |
A1g |
2977 |
2954 |
0.992 |
188 |
909 |
|
|
2 |
A1g |
1370 |
1388 |
1.013 |
188 |
910 |
|
|
3 |
A1g |
997 |
995 |
0.998 |
188 |
911 |
|
|
4 |
A1u |
305 |
289 |
0.948 |
188 |
912 |
|
|
5 |
A2u |
2980 |
2896 |
0.972 |
188 |
913 |
|
|
6 |
A2u |
1355 |
1379 |
1.018 |
188 |
914 |
|
|
7 |
Eg |
3039 |
2969 |
0.977 |
188 |
915 |
|
|
8 |
Eg |
1455 |
1468 |
1.009 |
188 |
916 |
|
|
9 |
Eg |
1178 |
1190 |
1.010 |
188 |
917 |
|
|
10 |
Eu |
3064 |
2985 |
0.974 |
188 |
918 |
|
|
11 |
Eu |
1458 |
1469 |
1.008 |
188 |
919 |
|
|
12 |
Eu |
797 |
822 |
1.032 |
188 |
920 |
Si2H6 |
disilane |
1 |
A1g |
2155 |
2152 |
0.999 |
189 |
921 |
|
|
2 |
A1g |
874 |
909 |
1.040 |
189 |
922 |
|
|
3 |
A1g |
418 |
434 |
1.039 |
189 |
923 |
|
|
4 |
A1u |
141 |
131 |
0.930 |
189 |
924 |
|
|
5 |
A2u |
2149 |
2154 |
1.002 |
189 |
925 |
|
|
6 |
A2u |
805 |
844 |
1.048 |
189 |
926 |
|
|
7 |
Eg |
2163 |
2155 |
0.996 |
189 |
927 |
|
|
8 |
Eg |
901 |
929 |
1.031 |
189 |
928 |
|
|
9 |
Eg |
607 |
625 |
1.030 |
189 |
929 |
|
|
10 |
Eu |
2172 |
2179 |
1.003 |
189 |
930 |
|
|
11 |
Eu |
914 |
940 |
1.028 |
189 |
931 |
|
|
12 |
Eu |
360 |
379 |
1.054 |
189 |
932 |
C2H5N |
Aziridine |
1 |
A' |
3417 |
3338 |
0.977 |
190 |
933 |
|
|
2 |
A' |
3139 |
3079 |
0.981 |
190 |
934 |
|
|
3 |
A' |
3050 |
3015 |
0.989 |
190 |
935 |
|
|
4 |
A' |
1474 |
1482 |
1.006 |
190 |
936 |
|
|
5 |
A' |
1277 |
1237 |
0.969 |
190 |
937 |
|
|
6 |
A' |
1215 |
1211 |
0.997 |
190 |
938 |
|
|
7 |
A' |
1078 |
1090 |
1.011 |
190 |
939 |
|
|
8 |
A' |
978 |
998 |
1.020 |
190 |
940 |
|
|
9 |
A' |
865 |
856 |
0.989 |
190 |
941 |
|
|
10 |
A' |
742 |
773 |
1.041 |
190 |
942 |
|
|
11 |
A" |
3125 |
3079 |
0.985 |
190 |
943 |
|
|
12 |
A" |
3045 |
3015 |
0.990 |
190 |
944 |
|
|
13 |
A" |
1445 |
1463 |
1.013 |
190 |
945 |
|
|
14 |
A" |
1234 |
1268 |
1.027 |
190 |
946 |
|
|
15 |
A" |
1115 |
1131 |
1.015 |
190 |
947 |
|
|
16 |
A" |
1061 |
1095 |
1.032 |
190 |
948 |
|
|
17 |
A" |
888 |
904 |
1.018 |
190 |
949 |
|
|
18 |
A" |
854 |
817 |
0.956 |
190 |
950 |
CH3COOH |
Acetic acid |
1 |
A' |
3629 |
3583 |
0.987 |
191 |
951 |
|
|
2 |
A' |
3122 |
3051 |
0.977 |
191 |
952 |
|
|
3 |
A' |
2999 |
2944 |
0.982 |
191 |
953 |
|
|
4 |
A' |
1793 |
1788 |
0.997 |
191 |
954 |
|
|
5 |
A' |
1420 |
1430 |
1.007 |
191 |
955 |
|
|
6 |
A' |
1356 |
1382 |
1.019 |
191 |
956 |
|
|
7 |
A' |
1301 |
1264 |
0.971 |
191 |
957 |
|
|
8 |
A' |
1167 |
1182 |
1.013 |
191 |
958 |
|
|
9 |
A' |
954 |
989 |
1.036 |
191 |
959 |
|
|
10 |
A' |
843 |
847 |
1.004 |
191 |
960 |
|
|
11 |
A' |
562 |
657 |
1.170 |
191 |
961 |
|
|
12 |
A' |
403 |
|
|
191 |
962 |
|
|
13 |
A" |
3070 |
2996 |
0.976 |
191 |
963 |
|
|
14 |
A" |
1424 |
1430 |
1.004 |
191 |
964 |
|
|
15 |
A" |
1021 |
1048 |
1.026 |
191 |
965 |
|
|
16 |
A" |
674 |
642 |
0.952 |
191 |
966 |
|
|
17 |
A" |
531 |
534 |
1.006 |
191 |
967 |
|
|
18 |
A" |
59 |
93 |
1.577 |
191 |
968 |
CH3OCHO |
methyl formate |
1 |
A' |
3108 |
3045 |
0.980 |
192 |
969 |
|
|
2 |
A' |
2989 |
2969 |
0.993 |
192 |
970 |
|
|
3 |
A' |
2952 |
2943 |
0.997 |
192 |
971 |
|
|
4 |
A' |
1773 |
1754 |
0.989 |
192 |
972 |
|
|
5 |
A' |
1444 |
1454 |
1.007 |
192 |
973 |
|
|
6 |
A' |
1410 |
1445 |
1.024 |
192 |
974 |
|
|
7 |
A' |
1350 |
1371 |
1.015 |
192 |
975 |
|
|
8 |
A' |
1181 |
1207 |
1.022 |
192 |
976 |
|
|
9 |
A' |
1139 |
1166 |
1.024 |
192 |
977 |
|
|
10 |
A' |
922 |
925 |
1.004 |
192 |
978 |
|
|
11 |
A' |
752 |
767 |
1.021 |
192 |
979 |
|
|
12 |
A' |
291 |
318 |
1.092 |
192 |
980 |
|
|
13 |
A" |
3068 |
3012 |
0.982 |
192 |
981 |
|
|
14 |
A" |
1429 |
1443 |
1.010 |
192 |
982 |
|
|
15 |
A" |
1134 |
1168 |
1.030 |
192 |
983 |
|
|
16 |
A" |
992 |
1032 |
1.041 |
192 |
984 |
|
|
17 |
A" |
350 |
332 |
0.948 |
192 |
985 |
|
|
18 |
A" |
94 |
130 |
1.379 |
192 |
986 |
C3H3NO |
Isoxazole |
1 |
A' |
3227 |
3160 |
0.979 |
193 |
987 |
|
|
2 |
A' |
3197 |
3128 |
0.978 |
193 |
988 |
|
|
3 |
A' |
3180 |
3086 |
0.971 |
193 |
989 |
|
|
4 |
A' |
1549 |
1561 |
1.008 |
193 |
990 |
|
|
5 |
A' |
1425 |
1433 |
1.006 |
193 |
991 |
|
|
6 |
A' |
1357 |
1371 |
1.010 |
193 |
992 |
|
|
7 |
A' |
1203 |
1218 |
1.012 |
193 |
993 |
|
|
8 |
A' |
1122 |
1130 |
1.008 |
193 |
994 |
|
|
9 |
A' |
1100 |
1096 |
0.996 |
193 |
995 |
|
|
10 |
A' |
1021 |
1024 |
1.003 |
193 |
996 |
|
|
11 |
A' |
901 |
920 |
1.021 |
193 |
997 |
|
|
12 |
A' |
891 |
900 |
1.011 |
193 |
998 |
|
|
13 |
A' |
861 |
857 |
0.996 |
193 |
999 |
|
|
14 |
A" |
871 |
890 |
1.021 |
193 |
1000 |
|
|
15 |
A" |
820 |
866 |
1.056 |
193 |
1001 |
|
|
16 |
A" |
761 |
765 |
1.005 |
193 |
1002 |
|
|
17 |
A" |
635 |
631 |
0.994 |
193 |
1003 |
|
|
18 |
A" |
596 |
592 |
0.993 |
193 |
1004 |
C3H3NO |
Oxazole |
1 |
A' |
3234 |
3170 |
0.980 |
194 |
1005 |
|
|
2 |
A' |
3213 |
3144 |
0.979 |
194 |
1006 |
|
|
3 |
A' |
3197 |
3141 |
0.982 |
194 |
1007 |
|
|
4 |
A' |
1526 |
1537 |
1.007 |
194 |
1008 |
|
|
5 |
A' |
1488 |
1504 |
1.011 |
194 |
1009 |
|
|
6 |
A' |
1319 |
1324 |
1.004 |
194 |
1010 |
|
|
7 |
A' |
1228 |
1252 |
1.019 |
194 |
1011 |
|
|
8 |
A' |
1135 |
1139 |
1.003 |
194 |
1012 |
|
|
9 |
A' |
1114 |
1086 |
0.975 |
194 |
1013 |
|
|
10 |
A' |
1068 |
1078 |
1.010 |
194 |
1014 |
|
|
11 |
A' |
1054 |
1046 |
0.993 |
194 |
1015 |
|
|
12 |
A' |
897 |
899 |
1.003 |
194 |
1016 |
|
|
13 |
A' |
886 |
854 |
0.964 |
194 |
1017 |
|
|
14 |
A" |
828 |
907 |
1.095 |
194 |
1018 |
|
|
15 |
A" |
791 |
830 |
1.049 |
194 |
1019 |
|
|
16 |
A" |
729 |
750 |
1.029 |
194 |
1020 |
|
|
17 |
A" |
652 |
647 |
0.992 |
194 |
1021 |
|
|
18 |
A" |
614 |
607 |
0.988 |
194 |
1022 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3010 |
2974 |
0.988 |
195 |
1023 |
|
|
2 |
A1 |
1370 |
1412 |
1.030 |
195 |
1024 |
|
|
3 |
A1 |
1241 |
1278 |
1.030 |
195 |
1025 |
|
|
4 |
A1 |
814 |
828 |
1.017 |
195 |
1026 |
|
|
5 |
A1 |
581 |
606 |
1.043 |
195 |
1027 |
|
|
6 |
A2 |
223 |
225 |
1.011 |
195 |
1028 |
|
|
7 |
E |
3105 |
3042 |
0.980 |
195 |
1029 |
|
|
8 |
E |
1434 |
1450 |
1.011 |
195 |
1030 |
|
|
9 |
E |
1202 |
1230 |
1.024 |
195 |
1031 |
|
|
10 |
E |
940 |
964 |
1.025 |
195 |
1032 |
|
|
11 |
E |
521 |
540 |
1.036 |
195 |
1033 |
|
|
12 |
E |
345 |
365 |
1.057 |
195 |
1034 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1352 |
1420 |
1.050 |
196 |
1035 |
|
|
2 |
A1g |
782 |
809 |
1.034 |
196 |
1036 |
|
|
3 |
A1g |
332 |
349 |
1.051 |
196 |
1037 |
|
|
4 |
A1u |
51 |
68 |
1.344 |
196 |
1038 |
|
|
5 |
A2u |
1086 |
1117 |
1.029 |
196 |
1039 |
|
|
6 |
A2u |
686 |
714 |
1.040 |
196 |
1040 |
|
|
7 |
Eg |
1189 |
1237 |
1.040 |
196 |
1041 |
|
|
8 |
Eg |
592 |
620 |
1.046 |
196 |
1042 |
|
|
9 |
Eg |
359 |
380 |
1.059 |
196 |
1043 |
|
|
10 |
Eu |
1212 |
1251 |
1.031 |
196 |
1044 |
|
|
11 |
Eu |
501 |
523 |
1.043 |
196 |
1045 |
|
|
12 |
Eu |
197 |
216 |
1.098 |
196 |
1046 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3062 |
2967 |
0.969 |
197 |
1047 |
|
|
2 |
A' |
3018 |
2946 |
0.976 |
197 |
1048 |
|
|
3 |
A' |
2981 |
2881 |
0.966 |
197 |
1049 |
|
|
4 |
A' |
1451 |
1463 |
1.008 |
197 |
1050 |
|
|
5 |
A' |
1436 |
1448 |
1.009 |
197 |
1051 |
|
|
6 |
A' |
1357 |
1385 |
1.021 |
197 |
1052 |
|
|
7 |
A' |
1264 |
1289 |
1.020 |
197 |
1053 |
|
|
8 |
A' |
1060 |
1081 |
1.019 |
197 |
1054 |
|
|
9 |
A' |
958 |
974 |
1.017 |
197 |
1055 |
|
|
10 |
A' |
662 |
677 |
1.023 |
197 |
1056 |
|
|
11 |
A' |
321 |
336 |
1.046 |
197 |
1057 |
|
|
12 |
A" |
3091 |
3014 |
0.975 |
197 |
1058 |
|
|
13 |
A" |
3066 |
2986 |
0.974 |
197 |
1059 |
|
|
14 |
A" |
1432 |
1448 |
1.011 |
197 |
1060 |
|
|
15 |
A" |
1230 |
1251 |
1.017 |
197 |
1061 |
|
|
16 |
A" |
1037 |
974 |
0.939 |
197 |
1062 |
|
|
17 |
A" |
762 |
786 |
1.031 |
197 |
1063 |
|
|
18 |
A" |
253 |
251 |
0.991 |
197 |
1064 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3030 |
2957 |
0.976 |
198 |
1065 |
|
|
1 |
A |
3074 |
3005 |
0.978 |
198 |
1066 |
|
|
2 |
A |
3014 |
2957 |
0.981 |
198 |
1067 |
|
|
2 |
Ag |
1434 |
1445 |
1.008 |
198 |
1068 |
|
|
3 |
Ag |
1275 |
1304 |
1.023 |
198 |
1069 |
|
|
3 |
A |
1411 |
1433 |
1.016 |
198 |
1070 |
|
|
4 |
A |
1285 |
1315 |
1.024 |
198 |
1071 |
|
|
4 |
Ag |
1045 |
1052 |
1.007 |
198 |
1072 |
|
|
5 |
Ag |
746 |
754 |
1.011 |
198 |
1073 |
|
|
5 |
A |
1179 |
1207 |
1.024 |
198 |
1074 |
|
|
6 |
A |
1021 |
1027 |
1.006 |
198 |
1075 |
|
|
6 |
Ag |
292 |
300 |
1.027 |
198 |
1076 |
|
|
7 |
Au |
3112 |
3005 |
0.965 |
198 |
1077 |
|
|
7 |
A |
922 |
948 |
1.029 |
198 |
1078 |
|
|
8 |
A |
655 |
669 |
1.022 |
198 |
1079 |
|
|
8 |
Au |
1093 |
1123 |
1.027 |
198 |
1080 |
|
|
9 |
Au |
753 |
773 |
1.026 |
198 |
1081 |
|
|
9 |
A |
251 |
272 |
1.083 |
198 |
1082 |
|
|
10 |
A |
109 |
125 |
1.142 |
198 |
1083 |
|
|
10 |
Au |
114 |
123 |
1.078 |
198 |
1084 |
|
|
11 |
Bg |
3089 |
3005 |
0.973 |
198 |
1085 |
|
|
11 |
B |
3088 |
3005 |
0.973 |
198 |
1086 |
|
|
12 |
B |
3006 |
2957 |
0.984 |
198 |
1087 |
|
|
12 |
Bg |
1246 |
1264 |
1.014 |
198 |
1088 |
|
|
13 |
Bg |
971 |
989 |
1.019 |
198 |
1089 |
|
|
13 |
B |
1408 |
1436 |
1.020 |
198 |
1090 |
|
|
14 |
B |
1260 |
1292 |
1.026 |
198 |
1091 |
|
|
14 |
Bu |
3038 |
2983 |
0.982 |
198 |
1092 |
|
|
15 |
Bu |
1437 |
1461 |
1.017 |
198 |
1093 |
|
|
15 |
B |
1116 |
1146 |
1.027 |
198 |
1094 |
|
|
16 |
B |
864 |
890 |
1.031 |
198 |
1095 |
|
|
16 |
Bu |
1200 |
1232 |
1.027 |
198 |
1096 |
|
|
17 |
Bu |
713 |
728 |
1.020 |
198 |
1097 |
|
|
17 |
B |
675 |
693 |
1.027 |
198 |
1098 |
|
|
18 |
B |
397 |
410 |
1.034 |
198 |
1099 |
|
|
18 |
Bu |
205 |
222 |
1.081 |
198 |
1100 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
2999 |
2951 |
0.984 |
199 |
1101 |
|
|
2 |
A1 |
1352 |
1386 |
1.025 |
199 |
1102 |
|
|
3 |
A1 |
1056 |
1075 |
1.018 |
199 |
1103 |
|
|
4 |
A1 |
514 |
526 |
1.024 |
199 |
1104 |
|
|
5 |
A1 |
335 |
344 |
1.028 |
199 |
1105 |
|
|
6 |
A2 |
289 |
214 |
0.740 |
199 |
1106 |
|
|
7 |
E |
3096 |
3014 |
0.974 |
199 |
1107 |
|
|
8 |
E |
1423 |
1457 |
1.024 |
199 |
1108 |
|
|
9 |
E |
1055 |
1088 |
1.032 |
199 |
1109 |
|
|
10 |
E |
669 |
724 |
1.082 |
199 |
1110 |
|
|
11 |
E |
333 |
351 |
1.055 |
199 |
1111 |
|
|
12 |
E |
229 |
239 |
1.043 |
199 |
1112 |
C3H6 |
Cyclopropane |
1 |
A1' |
3083 |
3038 |
0.985 |
200 |
1113 |
|
|
2 |
A1' |
1464 |
1479 |
1.011 |
200 |
1114 |
|
|
3 |
A1' |
1203 |
1188 |
0.987 |
200 |
1115 |
|
|
4 |
A1" |
1119 |
1126 |
1.006 |
200 |
1116 |
|
|
5 |
A2' |
1036 |
1070 |
1.033 |
200 |
1117 |
|
|
6 |
A2" |
3177 |
3103 |
0.977 |
200 |
1118 |
|
|
7 |
A2" |
831 |
854 |
1.027 |
200 |
1119 |
|
|
8 |
E' |
3076 |
3025 |
0.984 |
200 |
1120 |
|
|
9 |
E' |
1421 |
1438 |
1.012 |
200 |
1121 |
|
|
10 |
E' |
1015 |
1029 |
1.014 |
200 |
1122 |
|
|
11 |
E' |
888 |
866 |
0.976 |
200 |
1123 |
|
|
12 |
E" |
3155 |
3082 |
0.977 |
200 |
1124 |
|
|
13 |
E" |
1172 |
1188 |
1.014 |
200 |
1125 |
|
|
14 |
E" |
709 |
739 |
1.042 |
200 |
1126 |
CH2CHCH3 |
Propene |
1 |
A' |
3165 |
3090 |
0.976 |
201 |
1127 |
|
|
2 |
A' |
3080 |
3013 |
0.978 |
201 |
1128 |
|
|
3 |
A' |
3072 |
2991 |
0.974 |
201 |
1129 |
|
|
4 |
A' |
3052 |
2954 |
0.968 |
201 |
1130 |
|
|
5 |
A' |
2960 |
2871 |
0.970 |
201 |
1131 |
|
|
6 |
A' |
1674 |
1650 |
0.986 |
201 |
1132 |
|
|
7 |
A' |
1443 |
1470 |
1.019 |
201 |
1133 |
|
|
8 |
A' |
1400 |
1420 |
1.015 |
201 |
1134 |
|
|
9 |
A' |
1351 |
1378 |
1.020 |
201 |
1135 |
|
|
10 |
A' |
1286 |
1297 |
1.009 |
201 |
1136 |
|
|
11 |
A' |
1154 |
1171 |
1.014 |
201 |
1137 |
|
|
12 |
A' |
916 |
963 |
1.051 |
201 |
1138 |
|
|
13 |
A' |
908 |
920 |
1.013 |
201 |
1139 |
|
|
14 |
A' |
407 |
428 |
1.051 |
201 |
1140 |
|
|
15 |
A" |
3016 |
2954 |
0.979 |
201 |
1141 |
|
|
16 |
A" |
1429 |
1443 |
1.010 |
201 |
1142 |
|
|
17 |
A" |
1027 |
1045 |
1.017 |
201 |
1143 |
|
|
18 |
A" |
1002 |
991 |
0.989 |
201 |
1144 |
|
|
19 |
A" |
897 |
912 |
1.017 |
201 |
1145 |
|
|
20 |
A" |
572 |
578 |
1.011 |
201 |
1146 |
|
|
21 |
A" |
211 |
174 |
0.826 |
201 |
1147 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3593 |
3523 |
0.980 |
202 |
1148 |
|
|
2 |
A' |
3217 |
3155 |
0.981 |
202 |
1149 |
|
|
3 |
A' |
3196 |
3137 |
0.982 |
202 |
1150 |
|
|
4 |
A' |
3182 |
3126 |
0.982 |
202 |
1151 |
|
|
5 |
A' |
1520 |
1531 |
1.007 |
202 |
1152 |
|
|
6 |
A' |
1444 |
1447 |
1.002 |
202 |
1153 |
|
|
7 |
A' |
1394 |
1395 |
1.001 |
202 |
1154 |
|
|
8 |
A' |
1340 |
1358 |
1.014 |
202 |
1155 |
|
|
9 |
A' |
1246 |
1254 |
1.006 |
202 |
1156 |
|
|
10 |
A' |
1159 |
1159 |
1.000 |
202 |
1157 |
|
|
11 |
A' |
1126 |
1121 |
0.996 |
202 |
1158 |
|
|
12 |
A' |
1034 |
1054 |
1.020 |
202 |
1159 |
|
|
13 |
A' |
1026 |
1009 |
0.983 |
202 |
1160 |
|
|
14 |
A' |
910 |
924 |
1.015 |
202 |
1161 |
|
|
15 |
A' |
889 |
908 |
1.022 |
202 |
1162 |
|
|
16 |
A" |
855 |
879 |
1.028 |
202 |
1163 |
|
|
17 |
A" |
795 |
833 |
1.047 |
202 |
1164 |
|
|
18 |
A" |
728 |
745 |
1.024 |
202 |
1165 |
|
|
19 |
A" |
679 |
674 |
0.993 |
202 |
1166 |
|
|
20 |
A" |
620 |
623 |
1.005 |
202 |
1167 |
|
|
21 |
A" |
508 |
516 |
1.015 |
202 |
1168 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3580 |
3517 |
0.982 |
203 |
1169 |
|
|
2 |
A' |
3215 |
3143 |
0.978 |
203 |
1170 |
|
|
3 |
A' |
3187 |
3123 |
0.980 |
203 |
1171 |
|
|
4 |
A' |
3182 |
3110 |
0.977 |
203 |
1172 |
|
|
5 |
A' |
1510 |
1448 |
0.959 |
203 |
1173 |
|
|
6 |
A' |
1466 |
1404 |
0.958 |
203 |
1174 |
|
|
7 |
A' |
1399 |
1328 |
0.949 |
203 |
1175 |
|
|
8 |
A' |
1335 |
1265 |
0.948 |
203 |
1176 |
|
|
9 |
A' |
1240 |
1188 |
0.958 |
203 |
1177 |
|
|
10 |
A' |
1153 |
1098 |
0.953 |
203 |
1178 |
|
|
11 |
A' |
1119 |
1062 |
0.949 |
203 |
1179 |
|
|
12 |
A' |
1074 |
1013 |
0.943 |
203 |
1180 |
|
|
13 |
A' |
1052 |
988 |
0.939 |
203 |
1181 |
|
|
14 |
A' |
913 |
923 |
1.011 |
203 |
1182 |
|
|
15 |
A' |
871 |
898 |
1.031 |
203 |
1183 |
|
|
16 |
A" |
819 |
831 |
1.014 |
203 |
1184 |
|
|
17 |
A" |
765 |
758 |
0.991 |
203 |
1185 |
|
|
18 |
A" |
692 |
674 |
0.975 |
203 |
1186 |
|
|
19 |
A" |
668 |
663 |
0.992 |
203 |
1187 |
|
|
20 |
A" |
630 |
621 |
0.985 |
203 |
1188 |
|
|
21 |
A" |
514 |
539 |
1.049 |
203 |
1189 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3053 |
2996 |
0.981 |
204 |
1190 |
|
|
2 |
A1 |
2897 |
2817 |
0.972 |
204 |
1191 |
|
|
3 |
A1 |
1473 |
1464 |
0.994 |
204 |
1192 |
|
|
4 |
A1 |
1438 |
1452 |
1.009 |
204 |
1193 |
|
|
5 |
A1 |
1229 |
1244 |
1.012 |
204 |
1194 |
|
|
6 |
A1 |
937 |
928 |
0.991 |
204 |
1195 |
|
|
7 |
A1 |
404 |
418 |
1.034 |
204 |
1196 |
|
|
8 |
A2 |
2938 |
2952 |
1.005 |
204 |
1197 |
|
|
9 |
A2 |
1426 |
1464 |
1.027 |
204 |
1198 |
|
|
10 |
A2 |
1127 |
1150 |
1.021 |
204 |
1199 |
|
|
11 |
A2 |
226 |
203 |
0.899 |
204 |
1200 |
|
|
12 |
B1 |
2930 |
2925 |
0.998 |
204 |
1201 |
|
|
13 |
B1 |
1435 |
1464 |
1.020 |
204 |
1202 |
|
|
14 |
B1 |
1161 |
1179 |
1.016 |
204 |
1203 |
|
|
15 |
B1 |
249 |
242 |
0.972 |
204 |
1204 |
|
|
16 |
B2 |
3052 |
2996 |
0.982 |
204 |
1205 |
|
|
17 |
B2 |
2882 |
2817 |
0.977 |
204 |
1206 |
|
|
18 |
B2 |
1447 |
1464 |
1.012 |
204 |
1207 |
|
|
19 |
B2 |
1408 |
1452 |
1.031 |
204 |
1208 |
|
|
20 |
B2 |
1164 |
1227 |
1.054 |
204 |
1209 |
|
|
21 |
B2 |
1099 |
1102 |
1.003 |
204 |
1210 |
C4H4O |
Furan |
1 |
A1 |
3224 |
3161 |
0.980 |
205 |
1211 |
|
|
2 |
A1 |
3198 |
3140 |
0.982 |
205 |
1212 |
|
|
3 |
A1 |
1474 |
1491 |
1.012 |
205 |
1213 |
|
|
4 |
A1 |
1379 |
1384 |
1.003 |
205 |
1214 |
|
|
5 |
A1 |
1137 |
1140 |
1.002 |
205 |
1215 |
|
|
6 |
A1 |
1080 |
1066 |
0.987 |
205 |
1216 |
|
|
7 |
A1 |
993 |
995 |
1.002 |
205 |
1217 |
|
|
8 |
A1 |
858 |
871 |
1.015 |
205 |
1218 |
|
|
9 |
A2 |
820 |
838 |
1.022 |
205 |
1219 |
|
|
10 |
A2 |
693 |
728 |
1.051 |
205 |
1220 |
|
|
11 |
A2 |
596 |
603 |
1.012 |
205 |
1221 |
|
|
12 |
B1 |
777 |
863 |
1.110 |
205 |
1222 |
|
|
13 |
B1 |
731 |
745 |
1.019 |
205 |
1223 |
|
|
14 |
B1 |
611 |
613 |
1.003 |
205 |
1224 |
|
|
15 |
B2 |
3216 |
3154 |
0.981 |
205 |
1225 |
|
|
16 |
B2 |
3188 |
3129 |
0.982 |
205 |
1226 |
|
|
17 |
B2 |
1550 |
1556 |
1.004 |
205 |
1227 |
|
|
18 |
B2 |
1236 |
1267 |
1.025 |
205 |
1228 |
|
|
19 |
B2 |
1186 |
1180 |
0.995 |
205 |
1229 |
|
|
20 |
B2 |
1033 |
1040 |
1.007 |
205 |
1230 |
|
|
21 |
B2 |
860 |
873 |
1.015 |
205 |
1231 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3034 |
3001 |
0.989 |
206 |
1232 |
|
|
2 |
A' |
3009 |
2935 |
0.976 |
206 |
1233 |
|
|
3 |
A' |
1891 |
1882 |
0.995 |
206 |
1234 |
|
|
4 |
A' |
1468 |
1475 |
1.005 |
206 |
1235 |
|
|
5 |
A' |
1401 |
1427 |
1.019 |
206 |
1236 |
|
|
6 |
A' |
1295 |
1319 |
1.018 |
206 |
1237 |
|
|
7 |
A' |
1171 |
1199 |
1.024 |
206 |
1238 |
|
|
8 |
A' |
1070 |
1093 |
1.022 |
206 |
1239 |
|
|
9 |
A' |
1001 |
1005 |
1.004 |
206 |
1240 |
|
|
10 |
A' |
911 |
924 |
1.015 |
206 |
1241 |
|
|
11 |
A' |
874 |
891 |
1.020 |
206 |
1242 |
|
|
12 |
A' |
729 |
746 |
1.023 |
206 |
1243 |
|
|
13 |
A' |
476 |
513 |
1.079 |
206 |
1244 |
|
|
14 |
A" |
3097 |
3028 |
0.978 |
206 |
1245 |
|
|
15 |
A" |
3067 |
3000 |
0.978 |
206 |
1246 |
|
|
16 |
A" |
1159 |
1184 |
1.021 |
206 |
1247 |
|
|
17 |
A" |
1116 |
1139 |
1.020 |
206 |
1248 |
|
|
18 |
A" |
1018 |
1046 |
1.028 |
206 |
1249 |
|
|
19 |
A" |
773 |
790 |
1.022 |
206 |
1250 |
|
|
20 |
A" |
500 |
490 |
0.980 |
206 |
1251 |
|
|
21 |
A" |
183 |
113 |
0.618 |
206 |
1252 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3061 |
2966 |
0.969 |
207 |
1253 |
|
|
1 |
A |
3074 |
2980 |
0.969 |
207 |
1254 |
|
|
2 |
A |
3051 |
2967 |
0.972 |
207 |
1255 |
|
|
2 |
A' |
2997 |
2872 |
0.958 |
207 |
1256 |
|
|
3 |
A' |
2981 |
2872 |
0.963 |
207 |
1257 |
|
|
3 |
A |
3041 |
2930 |
0.963 |
207 |
1258 |
|
|
4 |
A |
2999 |
2902 |
0.968 |
207 |
1259 |
|
|
4 |
A' |
2625 |
2580 |
0.983 |
207 |
1260 |
|
|
5 |
A' |
1454 |
1453 |
0.999 |
207 |
1261 |
|
|
5 |
A |
2973 |
2875 |
0.967 |
207 |
1262 |
|
|
6 |
A |
2625 |
2591 |
0.987 |
207 |
1263 |
|
|
6 |
A' |
1435 |
1453 |
1.013 |
207 |
1264 |
|
|
7 |
A' |
1360 |
1385 |
1.019 |
207 |
1265 |
|
|
7 |
A |
1449 |
1462 |
1.009 |
207 |
1266 |
|
|
8 |
A |
1440 |
1452 |
1.009 |
207 |
1267 |
|
|
8 |
A' |
1245 |
1309 |
1.052 |
207 |
1268 |
|
|
9 |
A' |
1082 |
1097 |
1.014 |
207 |
1269 |
|
|
9 |
A |
1423 |
1437 |
1.010 |
207 |
1270 |
|
|
10 |
A |
1357 |
1377 |
1.015 |
207 |
1271 |
|
|
10 |
A' |
974 |
978 |
1.004 |
207 |
1272 |
|
|
11 |
A' |
829 |
870 |
1.050 |
207 |
1273 |
|
|
11 |
A |
1253 |
1269 |
1.013 |
207 |
1274 |
|
|
12 |
A |
1234 |
1246 |
1.010 |
207 |
1275 |
|
|
12 |
A' |
661 |
660 |
0.998 |
207 |
1276 |
|
|
13 |
A' |
290 |
332 |
1.146 |
207 |
1277 |
|
|
13 |
A |
1086 |
1093 |
1.006 |
207 |
1278 |
|
|
14 |
A |
1036 |
1051 |
1.015 |
207 |
1279 |
|
|
14 |
A" |
3071 |
2966 |
0.966 |
207 |
1280 |
|
|
15 |
A" |
3044 |
2930 |
0.963 |
207 |
1281 |
|
|
15 |
A |
962 |
970 |
1.008 |
207 |
1282 |
|
|
16 |
A |
846 |
867 |
1.025 |
207 |
1283 |
|
|
16 |
A" |
1443 |
1453 |
1.007 |
207 |
1284 |
|
|
17 |
A" |
1225 |
1269 |
1.036 |
207 |
1285 |
|
|
17 |
A |
715 |
735 |
1.029 |
207 |
1286 |
|
|
18 |
A |
644 |
658 |
1.022 |
207 |
1287 |
|
|
18 |
A" |
1005 |
1049 |
1.044 |
207 |
1288 |
|
|
19 |
A" |
765 |
745 |
0.974 |
207 |
1289 |
|
|
19 |
A |
318 |
319 |
1.002 |
207 |
1290 |
|
|
20 |
A |
257 |
|
|
207 |
1291 |
|
|
21 |
A |
227 |
|
|
207 |
1292 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3084 |
2997 |
0.972 |
208 |
1293 |
|
|
2 |
A1 |
2971 |
2925 |
0.985 |
208 |
1294 |
|
|
3 |
A1 |
1435 |
1447 |
1.008 |
208 |
1295 |
|
|
4 |
A1 |
1310 |
1337 |
1.021 |
208 |
1296 |
|
|
5 |
A1 |
1015 |
1030 |
1.014 |
208 |
1297 |
|
|
6 |
A1 |
685 |
695 |
1.015 |
208 |
1298 |
|
|
7 |
A1 |
253 |
280 |
1.106 |
208 |
1299 |
|
|
8 |
A2 |
3061 |
2970 |
0.970 |
208 |
1300 |
|
|
9 |
A2 |
1410 |
1427 |
1.012 |
208 |
1301 |
|
|
10 |
A2 |
916 |
946 |
1.033 |
208 |
1302 |
|
|
11 |
A2 |
185 |
175 |
0.947 |
208 |
1303 |
|
|
12 |
B1 |
3052 |
2970 |
0.973 |
208 |
1304 |
|
|
13 |
B1 |
1420 |
1439 |
1.013 |
208 |
1305 |
|
|
14 |
B1 |
954 |
973 |
1.020 |
208 |
1306 |
|
|
15 |
B1 |
179 |
183 |
1.025 |
208 |
1307 |
|
|
16 |
B2 |
3085 |
2999 |
0.972 |
208 |
1308 |
|
|
17 |
B2 |
2974 |
2919 |
0.981 |
208 |
1309 |
|
|
18 |
B2 |
1427 |
1442 |
1.011 |
208 |
1310 |
|
|
19 |
B2 |
1284 |
1315 |
1.024 |
208 |
1311 |
|
|
20 |
B2 |
877 |
903 |
1.030 |
208 |
1312 |
|
|
21 |
B2 |
733 |
742 |
1.012 |
208 |
1313 |
C4H4S |
Thiophene |
1 |
A1 |
3199 |
3126 |
0.977 |
209 |
1314 |
|
|
2 |
A1 |
3158 |
3098 |
0.981 |
209 |
1315 |
|
|
3 |
A1 |
1422 |
1409 |
0.991 |
209 |
1316 |
|
|
4 |
A1 |
1352 |
1360 |
1.006 |
209 |
1317 |
|
|
5 |
A1 |
1066 |
1083 |
1.016 |
209 |
1318 |
|
|
6 |
A1 |
1041 |
1036 |
0.995 |
209 |
1319 |
|
|
7 |
A1 |
830 |
872 |
1.050 |
209 |
1320 |
|
|
8 |
A1 |
598 |
608 |
1.017 |
209 |
1321 |
|
|
9 |
A2 |
880 |
867 |
0.985 |
209 |
1322 |
|
|
10 |
A2 |
657 |
688 |
1.046 |
209 |
1323 |
|
|
11 |
A2 |
562 |
567 |
1.010 |
209 |
1324 |
|
|
12 |
B1 |
835 |
839 |
1.005 |
209 |
1325 |
|
|
13 |
B1 |
710 |
712 |
1.003 |
209 |
1326 |
|
|
14 |
B1 |
448 |
452 |
1.008 |
209 |
1327 |
|
|
15 |
B2 |
3196 |
3125 |
0.978 |
209 |
1328 |
|
|
16 |
B2 |
3144 |
3086 |
0.981 |
209 |
1329 |
|
|
17 |
B2 |
1508 |
1504 |
0.997 |
209 |
1330 |
|
|
18 |
B2 |
1224 |
1256 |
1.026 |
209 |
1331 |
|
|
19 |
B2 |
1070 |
1085 |
1.014 |
209 |
1332 |
|
|
20 |
B2 |
851 |
903 |
1.061 |
209 |
1333 |
|
|
21 |
B2 |
741 |
751 |
1.013 |
209 |
1334 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3175 |
3087 |
0.972 |
210 |
1335 |
|
|
2 |
Ag |
3086 |
3003 |
0.973 |
210 |
1336 |
|
|
3 |
Ag |
3069 |
2992 |
0.975 |
210 |
1337 |
|
|
4 |
Ag |
1659 |
1630 |
0.983 |
210 |
1338 |
|
|
5 |
Ag |
1425 |
1438 |
1.009 |
210 |
1339 |
|
|
6 |
Ag |
1274 |
1280 |
1.005 |
210 |
1340 |
|
|
7 |
Ag |
1197 |
1196 |
0.999 |
210 |
1341 |
|
|
8 |
Ag |
883 |
894 |
1.013 |
210 |
1342 |
|
|
9 |
Ag |
498 |
512 |
1.028 |
210 |
1343 |
|
|
10 |
Au |
1033 |
1013 |
0.980 |
210 |
1344 |
|
|
11 |
Au |
888 |
908 |
1.023 |
210 |
1345 |
|
|
12 |
Au |
526 |
522 |
0.992 |
210 |
1346 |
|
|
13 |
Au |
180 |
162 |
0.901 |
210 |
1347 |
|
|
14 |
Bg |
969 |
976 |
1.007 |
210 |
1348 |
|
|
15 |
Bg |
893 |
912 |
1.021 |
210 |
1349 |
|
|
16 |
Bg |
763 |
770 |
1.010 |
210 |
1350 |
|
|
17 |
Bu |
3175 |
3101 |
0.977 |
210 |
1351 |
|
|
18 |
Bu |
3085 |
3055 |
0.990 |
210 |
1352 |
|
|
19 |
Bu |
3079 |
2984 |
0.969 |
210 |
1353 |
|
|
20 |
Bu |
1611 |
1596 |
0.991 |
210 |
1354 |
|
|
21 |
Bu |
1372 |
1381 |
1.007 |
210 |
1355 |
|
|
22 |
Bu |
1272 |
1294 |
1.017 |
210 |
1356 |
|
|
23 |
Bu |
963 |
990 |
1.028 |
210 |
1357 |
|
|
24 |
Bu |
280 |
301 |
1.074 |
210 |
1358 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
2959 |
2916 |
0.985 |
211 |
1359 |
|
|
2 |
A1' |
2311 |
2240 |
0.969 |
211 |
1360 |
|
|
3 |
A1' |
1363 |
1380 |
1.013 |
211 |
1361 |
|
|
4 |
A1' |
722 |
725 |
1.004 |
211 |
1362 |
|
|
6 |
A2" |
2959 |
2938 |
0.993 |
211 |
1363 |
|
|
7 |
A2" |
1359 |
1382 |
1.017 |
211 |
1364 |
|
|
8 |
A2" |
1170 |
1152 |
0.985 |
211 |
1365 |
|
|
9 |
E' |
3025 |
2973 |
0.983 |
211 |
1366 |
|
|
10 |
E' |
1428 |
1456 |
1.020 |
211 |
1367 |
|
|
11 |
E' |
1025 |
1054 |
1.028 |
211 |
1368 |
|
|
12 |
E' |
200 |
213 |
1.067 |
211 |
1369 |
|
|
13 |
E" |
3025 |
2966 |
0.980 |
211 |
1370 |
|
|
14 |
E" |
1427 |
1448 |
1.015 |
211 |
1371 |
|
|
15 |
E" |
994 |
1029 |
1.036 |
211 |
1372 |
|
|
16 |
E" |
351 |
371 |
1.056 |
211 |
1373 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3080 |
3061 |
0.994 |
212 |
1374 |
|
|
2 |
A' |
3061 |
3010 |
0.983 |
212 |
1375 |
|
|
3 |
A' |
3057 |
2965 |
0.970 |
212 |
1376 |
|
|
4 |
A' |
2966 |
2905 |
0.979 |
212 |
1377 |
|
|
5 |
A' |
2026 |
1970 |
0.972 |
212 |
1378 |
|
|
6 |
A' |
1456 |
1453 |
0.998 |
212 |
1379 |
|
|
7 |
A' |
1423 |
1437 |
1.010 |
212 |
1380 |
|
|
8 |
A' |
1349 |
1389 |
1.030 |
212 |
1381 |
|
|
9 |
A' |
1317 |
1330 |
1.010 |
212 |
1382 |
|
|
10 |
A' |
1128 |
1132 |
1.004 |
212 |
1383 |
|
|
11 |
A' |
1054 |
1074 |
1.019 |
212 |
1384 |
|
|
12 |
A' |
862 |
876 |
1.016 |
212 |
1385 |
|
|
13 |
A' |
822 |
859 |
1.044 |
212 |
1386 |
|
|
14 |
A' |
557 |
555 |
0.996 |
212 |
1387 |
|
|
15 |
A' |
202 |
210 |
1.038 |
212 |
1388 |
|
|
16 |
A" |
3132 |
3061 |
0.977 |
212 |
1389 |
|
|
17 |
A" |
3023 |
2965 |
0.981 |
212 |
1390 |
|
|
18 |
A" |
1432 |
1453 |
1.015 |
212 |
1391 |
|
|
19 |
A" |
1016 |
1110 |
1.092 |
212 |
1392 |
|
|
20 |
A" |
981 |
1011 |
1.031 |
212 |
1393 |
|
|
21 |
A" |
868 |
842 |
0.970 |
212 |
1394 |
|
|
22 |
A" |
521 |
523 |
1.004 |
212 |
1395 |
|
|
23 |
A" |
337 |
322 |
0.957 |
212 |
1396 |
C4H6 |
Cyclobutene |
1 |
A1 |
3141 |
3060 |
0.974 |
213 |
1397 |
|
|
2 |
A1 |
2980 |
2935 |
0.985 |
213 |
1398 |
|
|
3 |
A1 |
1595 |
1570 |
0.984 |
213 |
1399 |
|
|
4 |
A1 |
1430 |
1450 |
1.014 |
213 |
1400 |
|
|
5 |
A1 |
1172 |
1276 |
1.088 |
213 |
1401 |
|
|
6 |
A1 |
1110 |
1186 |
1.069 |
213 |
1402 |
|
|
7 |
A1 |
987 |
1113 |
1.128 |
213 |
1403 |
|
|
8 |
A1 |
887 |
886 |
0.999 |
213 |
1404 |
|
|
9 |
A2 |
3018 |
2955 |
0.979 |
213 |
1405 |
|
|
10 |
A2 |
1130 |
1276 |
1.129 |
213 |
1406 |
|
|
11 |
A2 |
997 |
1081 |
1.084 |
213 |
1407 |
|
|
12 |
A2 |
903 |
850 |
0.941 |
213 |
1408 |
|
|
13 |
A2 |
308 |
325 |
1.054 |
213 |
1409 |
|
|
14 |
B1 |
3033 |
2955 |
0.974 |
213 |
1410 |
|
|
15 |
B1 |
1063 |
1074 |
1.010 |
213 |
1411 |
|
|
16 |
B1 |
847 |
846 |
0.998 |
213 |
1412 |
|
|
17 |
B1 |
628 |
635 |
1.011 |
213 |
1413 |
|
|
18 |
B2 |
3108 |
3047 |
0.981 |
213 |
1414 |
|
|
19 |
B2 |
2975 |
2916 |
0.980 |
213 |
1415 |
|
|
20 |
B2 |
1410 |
1427 |
1.012 |
213 |
1416 |
|
|
21 |
B2 |
1281 |
1294 |
1.010 |
213 |
1417 |
|
|
22 |
B2 |
1183 |
1214 |
1.027 |
213 |
1418 |
|
|
23 |
B2 |
890 |
888 |
0.998 |
213 |
1419 |
|
|
24 |
B2 |
834 |
740 |
0.887 |
213 |
1420 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3072 |
3010 |
0.980 |
214 |
1421 |
|
|
2 |
A1 |
3048 |
3002 |
0.985 |
214 |
1422 |
|
|
3 |
A1 |
1807 |
1743 |
0.965 |
214 |
1423 |
|
|
4 |
A1 |
1435 |
1437 |
1.001 |
214 |
1424 |
|
|
5 |
A1 |
1395 |
1410 |
1.010 |
214 |
1425 |
|
|
6 |
A1 |
1058 |
1036 |
0.979 |
214 |
1426 |
|
|
7 |
A1 |
997 |
1002 |
1.005 |
214 |
1427 |
|
|
8 |
A1 |
745 |
723 |
0.971 |
214 |
1428 |
|
|
9 |
A2 |
3121 |
3051 |
0.977 |
214 |
1429 |
|
|
10 |
A2 |
1130 |
1144 |
1.012 |
214 |
1430 |
|
|
11 |
A2 |
929 |
937 |
1.009 |
214 |
1431 |
|
|
12 |
A2 |
593 |
616 |
1.038 |
214 |
1432 |
|
|
13 |
B1 |
3135 |
3071 |
0.980 |
214 |
1433 |
|
|
14 |
B1 |
1059 |
1072 |
1.012 |
214 |
1434 |
|
|
15 |
B1 |
875 |
889 |
1.016 |
214 |
1435 |
|
|
16 |
B1 |
725 |
748 |
1.032 |
214 |
1436 |
|
|
17 |
B1 |
287 |
360 |
1.256 |
214 |
1437 |
|
|
18 |
B2 |
3154 |
3086 |
0.979 |
214 |
1438 |
|
|
19 |
B2 |
3048 |
2999 |
0.984 |
214 |
1439 |
|
|
20 |
B2 |
1398 |
1353 |
0.968 |
214 |
1440 |
|
|
21 |
B2 |
1110 |
1174 |
1.057 |
214 |
1441 |
|
|
22 |
B2 |
1026 |
1125 |
1.097 |
214 |
1442 |
|
|
23 |
B2 |
889 |
792 |
0.891 |
214 |
1443 |
|
|
24 |
B2 |
346 |
290 |
0.839 |
214 |
1444 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3385 |
3345 |
0.988 |
215 |
1445 |
|
|
2 |
A' |
3040 |
2985 |
0.982 |
215 |
1446 |
|
|
3 |
A' |
2965 |
2840 |
0.958 |
215 |
1447 |
|
|
4 |
A' |
2960 |
2860 |
0.966 |
215 |
1448 |
|
|
5 |
A' |
1618 |
1622 |
1.003 |
215 |
1449 |
|
|
6 |
A' |
1454 |
1487 |
1.023 |
215 |
1450 |
|
|
7 |
A' |
1434 |
1465 |
1.022 |
215 |
1451 |
|
|
8 |
A' |
1353 |
1378 |
1.018 |
215 |
1452 |
|
|
9 |
A' |
1331 |
1397 |
1.050 |
215 |
1453 |
|
|
10 |
A' |
1133 |
1016 |
0.897 |
215 |
1454 |
|
|
11 |
A' |
1042 |
1086 |
1.042 |
215 |
1455 |
|
|
12 |
A' |
886 |
892 |
1.006 |
215 |
1456 |
|
|
13 |
A' |
849 |
773 |
0.910 |
215 |
1457 |
|
|
14 |
A' |
387 |
403 |
1.042 |
215 |
1458 |
|
|
15 |
A" |
3464 |
3412 |
0.985 |
215 |
1459 |
|
|
16 |
A" |
3044 |
2924 |
0.961 |
215 |
1460 |
|
|
17 |
A" |
3000 |
2906 |
0.969 |
215 |
1461 |
|
|
18 |
A" |
1446 |
1455 |
1.007 |
215 |
1462 |
|
|
19 |
A" |
1356 |
1238 |
0.913 |
215 |
1463 |
|
|
20 |
A" |
1232 |
1293 |
1.049 |
215 |
1464 |
|
|
21 |
A" |
980 |
1117 |
1.140 |
215 |
1465 |
|
|
22 |
A" |
754 |
816 |
1.082 |
215 |
1466 |
|
|
23 |
A" |
292 |
259 |
0.887 |
215 |
1467 |
|
|
24 |
A" |
250 |
218 |
0.873 |
215 |
1468 |
C4H5N |
Pyrrole |
1 |
A1 |
3609 |
3531 |
0.978 |
216 |
1469 |
|
|
2 |
A1 |
3213 |
3149 |
0.980 |
216 |
1470 |
|
|
3 |
A1 |
3192 |
3128 |
0.980 |
216 |
1471 |
|
|
4 |
A1 |
1466 |
1472 |
1.004 |
216 |
1472 |
|
|
5 |
A1 |
1392 |
1401 |
1.007 |
216 |
1473 |
|
|
6 |
A1 |
1154 |
1148 |
0.995 |
216 |
1474 |
|
|
7 |
A1 |
1077 |
1075 |
0.998 |
216 |
1475 |
|
|
8 |
A1 |
1016 |
1017 |
1.001 |
216 |
1476 |
|
|
9 |
A1 |
869 |
882 |
1.015 |
216 |
1477 |
|
|
10 |
A2 |
824 |
864 |
1.049 |
216 |
1478 |
|
|
11 |
A2 |
641 |
692 |
1.080 |
216 |
1479 |
|
|
12 |
A2 |
609 |
614 |
1.008 |
216 |
1480 |
|
|
13 |
B1 |
772 |
827 |
1.071 |
216 |
1481 |
|
|
14 |
B1 |
706 |
722 |
1.023 |
216 |
1482 |
|
|
15 |
B1 |
627 |
621 |
0.991 |
216 |
1483 |
|
|
16 |
B1 |
464 |
475 |
1.023 |
216 |
1484 |
|
|
17 |
B2 |
3206 |
3143 |
0.980 |
216 |
1485 |
|
|
18 |
B2 |
3181 |
3119 |
0.980 |
216 |
1486 |
|
|
19 |
B2 |
1534 |
1519 |
0.990 |
216 |
1487 |
|
|
20 |
B2 |
1425 |
1424 |
0.999 |
216 |
1488 |
|
|
21 |
B2 |
1261 |
1288 |
1.022 |
216 |
1489 |
|
|
22 |
B2 |
1138 |
1134 |
0.997 |
216 |
1490 |
|
|
23 |
B2 |
1043 |
1049 |
1.005 |
216 |
1491 |
|
|
24 |
B2 |
844 |
866 |
1.026 |
216 |
1492 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3193 |
3120 |
0.977 |
217 |
1493 |
|
|
2 |
A' |
3111 |
3052 |
0.981 |
217 |
1494 |
|
|
3 |
A' |
3093 |
3044 |
0.984 |
217 |
1495 |
|
|
4 |
A' |
2267 |
2264 |
0.999 |
217 |
1496 |
|
|
5 |
A' |
1447 |
1468 |
1.015 |
217 |
1497 |
|
|
6 |
A' |
1335 |
1344 |
1.007 |
217 |
1498 |
|
|
7 |
A' |
1193 |
1195 |
1.002 |
217 |
1499 |
|
|
8 |
A' |
1102 |
1125 |
1.021 |
217 |
1500 |
|
|
9 |
A' |
1025 |
1049 |
1.023 |
217 |
1501 |
|
|
10 |
A' |
956 |
941 |
0.984 |
217 |
1502 |
|
|
11 |
A' |
791 |
808 |
1.021 |
217 |
1503 |
|
|
12 |
A' |
739 |
736 |
0.996 |
217 |
1504 |
|
|
13 |
A' |
519 |
527 |
1.015 |
217 |
1505 |
|
|
14 |
A' |
208 |
222 |
1.067 |
217 |
1506 |
|
|
15 |
A" |
3178 |
3094 |
0.973 |
217 |
1507 |
|
|
16 |
A" |
3090 |
3040 |
0.984 |
217 |
1508 |
|
|
17 |
A" |
1417 |
1442 |
1.018 |
217 |
1509 |
|
|
18 |
A" |
1161 |
1180 |
1.017 |
217 |
1510 |
|
|
19 |
A" |
1069 |
1070 |
1.001 |
217 |
1511 |
|
|
20 |
A" |
1041 |
1088 |
1.046 |
217 |
1512 |
|
|
21 |
A" |
876 |
880 |
1.005 |
217 |
1513 |
|
|
22 |
A" |
804 |
821 |
1.021 |
217 |
1514 |
|
|
23 |
A" |
542 |
543 |
1.002 |
217 |
1515 |
|
|
24 |
A" |
211 |
222 |
1.052 |
217 |
1516 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3136 |
3063 |
0.977 |
218 |
1517 |
|
|
2 |
A1 |
3103 |
3043 |
0.981 |
218 |
1518 |
|
|
3 |
A1 |
1560 |
1572 |
1.008 |
218 |
1519 |
|
|
4 |
A1 |
1432 |
1414 |
0.987 |
218 |
1520 |
|
|
5 |
A1 |
1190 |
1283 |
1.079 |
218 |
1521 |
|
|
6 |
A1 |
1133 |
1160 |
1.024 |
218 |
1522 |
|
|
7 |
A1 |
1066 |
1063 |
0.997 |
218 |
1523 |
|
|
8 |
A1 |
989 |
964 |
0.975 |
218 |
1524 |
|
|
9 |
A1 |
654 |
619 |
0.946 |
218 |
1525 |
|
|
10 |
A2 |
985 |
936 |
0.950 |
218 |
1526 |
|
|
11 |
A2 |
919 |
863 |
0.939 |
218 |
1527 |
|
|
12 |
A2 |
763 |
751 |
0.985 |
218 |
1528 |
|
|
13 |
A2 |
347 |
421 |
1.213 |
218 |
1529 |
|
|
14 |
B1 |
949 |
|
|
218 |
1530 |
|
|
15 |
B1 |
739 |
760 |
1.029 |
218 |
1531 |
|
|
16 |
B1 |
340 |
370 |
1.088 |
218 |
1532 |
|
|
17 |
B2 |
3121 |
3075 |
0.985 |
218 |
1533 |
|
|
18 |
B2 |
3099 |
3043 |
0.982 |
218 |
1534 |
|
|
19 |
B2 |
1554 |
1565 |
1.007 |
218 |
1535 |
|
|
20 |
B2 |
1384 |
1444 |
1.043 |
218 |
1536 |
|
|
21 |
B2 |
1269 |
1239 |
0.977 |
218 |
1537 |
|
|
22 |
B2 |
1054 |
1052 |
0.998 |
218 |
1538 |
|
|
23 |
B2 |
1024 |
1009 |
0.986 |
218 |
1539 |
|
|
24 |
B2 |
606 |
664 |
1.096 |
218 |
1540 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3135 |
3082 |
0.983 |
219 |
1541 |
|
|
2 |
A1 |
3087 |
3053 |
0.989 |
219 |
1542 |
|
|
3 |
A1 |
3078 |
3049 |
0.991 |
219 |
1543 |
|
|
4 |
A1 |
1563 |
1572 |
1.006 |
219 |
1544 |
|
|
5 |
A1 |
1393 |
1465 |
1.052 |
219 |
1545 |
|
|
6 |
A1 |
1133 |
1155 |
1.020 |
219 |
1546 |
|
|
7 |
A1 |
1054 |
1065 |
1.010 |
219 |
1547 |
|
|
8 |
A1 |
976 |
969 |
0.993 |
219 |
1548 |
|
|
9 |
A1 |
669 |
679 |
1.015 |
219 |
1549 |
|
|
10 |
A2 |
968 |
960 |
0.991 |
219 |
1550 |
|
|
11 |
A2 |
383 |
398 |
1.039 |
219 |
1551 |
|
|
12 |
B1 |
987 |
1033 |
1.047 |
219 |
1552 |
|
|
13 |
B1 |
948 |
980 |
1.033 |
219 |
1553 |
|
|
14 |
B1 |
802 |
804 |
1.002 |
219 |
1554 |
|
|
15 |
B1 |
722 |
719 |
0.996 |
219 |
1555 |
|
|
16 |
B1 |
318 |
347 |
1.091 |
219 |
1556 |
|
|
17 |
B2 |
3080 |
3047 |
0.989 |
219 |
1557 |
|
|
18 |
B2 |
1560 |
1569 |
1.006 |
219 |
1558 |
|
|
19 |
B2 |
1446 |
1411 |
0.976 |
219 |
1559 |
|
|
20 |
B2 |
1346 |
1356 |
1.007 |
219 |
1560 |
|
|
21 |
B2 |
1253 |
1224 |
0.977 |
219 |
1561 |
|
|
22 |
B2 |
1207 |
1158 |
0.959 |
219 |
1562 |
|
|
23 |
B2 |
1062 |
1071 |
1.009 |
219 |
1563 |
|
|
24 |
B2 |
607 |
621 |
1.023 |
219 |
1564 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3098 |
3055 |
0.986 |
220 |
1565 |
|
|
2 |
Ag |
1566 |
1580 |
1.009 |
220 |
1566 |
|
|
3 |
Ag |
1221 |
1233 |
1.010 |
220 |
1567 |
|
|
4 |
Ag |
1016 |
1016 |
1.000 |
220 |
1568 |
|
|
5 |
Ag |
586 |
602 |
1.028 |
220 |
1569 |
|
|
6 |
Au |
962 |
960 |
0.998 |
220 |
1570 |
|
|
7 |
Au |
310 |
350 |
1.129 |
220 |
1571 |
|
|
8 |
B1g |
921 |
927 |
1.007 |
220 |
1572 |
|
|
9 |
B1u |
3076 |
3012 |
0.979 |
220 |
1573 |
|
|
10 |
B1u |
1465 |
1483 |
1.012 |
220 |
1574 |
|
|
11 |
B1u |
1138 |
1130 |
0.993 |
220 |
1575 |
|
|
12 |
B1u |
998 |
1018 |
1.020 |
220 |
1576 |
|
|
13 |
B2g |
958 |
983 |
1.026 |
220 |
1577 |
|
|
14 |
B2g |
763 |
756 |
0.991 |
220 |
1578 |
|
|
15 |
B2u |
3092 |
3069 |
0.993 |
220 |
1579 |
|
|
16 |
B2u |
1399 |
1411 |
1.009 |
220 |
1580 |
|
|
17 |
B2u |
1250 |
1149 |
0.919 |
220 |
1581 |
|
|
18 |
B2u |
1059 |
1063 |
1.004 |
220 |
1582 |
|
|
19 |
B3g |
3077 |
3040 |
0.988 |
220 |
1583 |
|
|
20 |
B3g |
1533 |
1525 |
0.995 |
220 |
1584 |
|
|
21 |
B3g |
1329 |
1346 |
1.013 |
220 |
1585 |
|
|
22 |
B3g |
695 |
704 |
1.013 |
220 |
1586 |
|
|
23 |
B3u |
779 |
785 |
1.007 |
220 |
1587 |
|
|
24 |
B3u |
410 |
418 |
1.020 |
220 |
1588 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3722 |
3675 |
0.987 |
221 |
1589 |
|
|
2 |
A |
3168 |
3102 |
0.979 |
221 |
1590 |
|
|
3 |
A |
3092 |
3022 |
0.978 |
221 |
1591 |
|
|
4 |
A |
3078 |
2995 |
0.973 |
221 |
1592 |
|
|
5 |
A |
2913 |
2934 |
1.007 |
221 |
1593 |
|
|
6 |
A |
2876 |
2866 |
0.997 |
221 |
1594 |
|
|
7 |
A |
1674 |
1654 |
0.988 |
221 |
1595 |
|
|
8 |
A |
1452 |
1453 |
1.000 |
221 |
1596 |
|
|
9 |
A |
1423 |
1414 |
0.993 |
221 |
1597 |
|
|
10 |
A |
1377 |
1384 |
1.005 |
221 |
1598 |
|
|
11 |
A |
1270 |
1320 |
1.039 |
221 |
1599 |
|
|
12 |
A |
1236 |
1293 |
1.046 |
221 |
1600 |
|
|
13 |
A |
1192 |
1191 |
0.999 |
221 |
1601 |
|
|
14 |
A |
1125 |
1132 |
1.006 |
221 |
1602 |
|
|
15 |
A |
1041 |
1110 |
1.067 |
221 |
1603 |
|
|
16 |
A |
1002 |
1038 |
1.036 |
221 |
1604 |
|
|
17 |
A |
933 |
995 |
1.066 |
221 |
1605 |
|
|
18 |
A |
911 |
919 |
1.009 |
221 |
1606 |
|
|
19 |
A |
893 |
885 |
0.991 |
221 |
1607 |
|
|
20 |
A |
633 |
606 |
0.958 |
221 |
1608 |
|
|
22 |
A |
313 |
377 |
1.206 |
221 |
1609 |
|
|
23 |
A |
243 |
277 |
1.138 |
221 |
1610 |
|
|
24 |
A |
115 |
188 |
1.639 |
221 |
1611 |
CH3CH2CHO |
Propanal |
1 |
A' |
3077 |
2981 |
0.969 |
222 |
1612 |
|
|
2 |
A' |
2996 |
2904 |
0.969 |
222 |
1613 |
|
|
3 |
A' |
2948 |
2895 |
0.982 |
222 |
1614 |
|
|
4 |
A' |
2768 |
2809 |
1.015 |
222 |
1615 |
|
|
5 |
A' |
1776 |
1743 |
0.982 |
222 |
1616 |
|
|
6 |
A' |
1449 |
1460 |
1.008 |
222 |
1617 |
|
|
7 |
A' |
1394 |
1416 |
1.015 |
222 |
1618 |
|
|
8 |
A' |
1373 |
1390 |
1.012 |
222 |
1619 |
|
|
9 |
A' |
1355 |
1376 |
1.016 |
222 |
1620 |
|
|
10 |
A' |
1307 |
1335 |
1.021 |
222 |
1621 |
|
|
11 |
A' |
1082 |
1093 |
1.010 |
222 |
1622 |
|
|
12 |
A' |
973 |
993 |
1.020 |
222 |
1623 |
|
|
13 |
A' |
840 |
848 |
1.010 |
222 |
1624 |
|
|
14 |
A' |
651 |
668 |
1.025 |
222 |
1625 |
|
|
15 |
A' |
244 |
271 |
1.112 |
222 |
1626 |
|
|
16 |
A" |
3076 |
2992 |
0.973 |
222 |
1627 |
|
|
17 |
A" |
2976 |
2942 |
0.988 |
222 |
1628 |
|
|
18 |
A" |
1442 |
1451 |
1.006 |
222 |
1629 |
|
|
19 |
A" |
1231 |
1250 |
1.015 |
222 |
1630 |
|
|
20 |
A" |
1102 |
1118 |
1.014 |
222 |
1631 |
|
|
21 |
A" |
868 |
892 |
1.028 |
222 |
1632 |
|
|
22 |
A" |
638 |
660 |
1.035 |
222 |
1633 |
|
|
23 |
A" |
223 |
220 |
0.985 |
222 |
1634 |
|
|
24 |
A" |
119 |
135 |
1.130 |
222 |
1635 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3078 |
3018 |
0.981 |
223 |
1636 |
|
|
2 |
A |
3022 |
2985 |
0.988 |
223 |
1637 |
|
|
3 |
A |
2985 |
2958 |
0.991 |
223 |
1638 |
|
|
4 |
A |
2920 |
2945 |
1.009 |
223 |
1639 |
|
|
5 |
A |
2903 |
2922 |
1.007 |
223 |
1640 |
|
|
6 |
A |
2268 |
2245 |
0.990 |
223 |
1641 |
|
|
7 |
A |
1457 |
1472 |
1.010 |
223 |
1642 |
|
|
8 |
A |
1433 |
1452 |
1.013 |
223 |
1643 |
|
|
9 |
A |
1426 |
1439 |
1.009 |
223 |
1644 |
|
|
10 |
A |
1408 |
1431 |
1.016 |
223 |
1645 |
|
|
11 |
A |
1333 |
1368 |
1.026 |
223 |
1646 |
|
|
12 |
A |
1262 |
1287 |
1.020 |
223 |
1647 |
|
|
13 |
A |
1170 |
1199 |
1.025 |
223 |
1648 |
|
|
14 |
A |
1141 |
1161 |
1.017 |
223 |
1649 |
|
|
15 |
A |
1115 |
1127 |
1.011 |
223 |
1650 |
|
|
16 |
A |
991 |
1016 |
1.025 |
223 |
1651 |
|
|
17 |
A |
923 |
925 |
1.003 |
223 |
1652 |
|
|
18 |
A |
881 |
890 |
1.011 |
223 |
1653 |
|
|
19 |
A |
586 |
586 |
1.000 |
223 |
1654 |
|
|
20 |
A |
380 |
404 |
1.063 |
223 |
1655 |
|
|
21 |
A |
361 |
347 |
0.962 |
223 |
1656 |
|
|
22 |
A |
248 |
243 |
0.980 |
223 |
1657 |
|
|
23 |
A |
175 |
170 |
0.971 |
223 |
1658 |
|
|
24 |
A |
117 |
113 |
0.969 |
223 |
1659 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3097 |
2990 |
0.965 |
224 |
1660 |
|
|
2 |
A |
3079 |
2983 |
0.969 |
224 |
1661 |
|
|
3 |
A |
2985 |
2913 |
0.976 |
224 |
1662 |
|
|
4 |
A |
1422 |
1426 |
1.003 |
224 |
1663 |
|
|
5 |
A |
1409 |
1419 |
1.007 |
224 |
1664 |
|
|
6 |
A |
1286 |
1311 |
1.020 |
224 |
1665 |
|
|
7 |
A |
933 |
955 |
1.023 |
224 |
1666 |
|
|
8 |
A |
927 |
949 |
1.024 |
224 |
1667 |
|
|
9 |
A |
673 |
694 |
1.031 |
224 |
1668 |
|
|
10 |
A |
503 |
509 |
1.012 |
224 |
1669 |
|
|
11 |
A |
224 |
240 |
1.073 |
224 |
1670 |
|
|
12 |
A |
153 |
134 |
0.875 |
224 |
1671 |
|
|
13 |
A |
105 |
117 |
1.110 |
224 |
1672 |
|
|
14 |
B |
3097 |
2990 |
0.965 |
224 |
1673 |
|
|
15 |
B |
3079 |
2983 |
0.969 |
224 |
1674 |
|
|
16 |
B |
2983 |
2915 |
0.977 |
224 |
1675 |
|
|
17 |
B |
1425 |
1430 |
1.003 |
224 |
1676 |
|
|
18 |
B |
1403 |
1415 |
1.009 |
224 |
1677 |
|
|
19 |
B |
1278 |
1303 |
1.020 |
224 |
1678 |
|
|
20 |
B |
932 |
955 |
1.024 |
224 |
1679 |
|
|
21 |
B |
921 |
949 |
1.030 |
224 |
1680 |
|
|
22 |
B |
673 |
691 |
1.027 |
224 |
1681 |
|
|
23 |
B |
252 |
274 |
1.086 |
224 |
1682 |
|
|
24 |
B |
152 |
134 |
0.880 |
224 |
1683 |
C3H8 |
Propane |
1 |
A1 |
3052 |
2977 |
0.975 |
225 |
1684 |
|
|
2 |
A1 |
2970 |
2962 |
0.997 |
225 |
1685 |
|
|
3 |
A1 |
2964 |
2887 |
0.974 |
225 |
1686 |
|
|
4 |
A1 |
1464 |
1476 |
1.008 |
225 |
1687 |
|
|
5 |
A1 |
1438 |
1462 |
1.017 |
225 |
1688 |
|
|
6 |
A1 |
1368 |
1392 |
1.017 |
225 |
1689 |
|
|
7 |
A1 |
1140 |
1158 |
1.016 |
225 |
1690 |
|
|
8 |
A1 |
866 |
869 |
1.004 |
225 |
1691 |
|
|
9 |
A1 |
353 |
369 |
1.046 |
225 |
1692 |
|
|
10 |
A2 |
3039 |
2967 |
0.976 |
225 |
1693 |
|
|
11 |
A2 |
1440 |
1451 |
1.008 |
225 |
1694 |
|
|
12 |
A2 |
1274 |
1278 |
1.003 |
225 |
1695 |
|
|
13 |
A2 |
878 |
940 |
1.070 |
225 |
1696 |
|
|
14 |
A2 |
221 |
216 |
0.979 |
225 |
1697 |
|
|
15 |
B1 |
3048 |
2973 |
0.976 |
225 |
1698 |
|
|
16 |
B1 |
2995 |
2968 |
0.991 |
225 |
1699 |
|
|
17 |
B1 |
1459 |
1472 |
1.009 |
225 |
1700 |
|
|
18 |
B1 |
1172 |
1192 |
1.017 |
225 |
1701 |
|
|
19 |
B1 |
726 |
748 |
1.030 |
225 |
1702 |
|
|
20 |
B1 |
265 |
268 |
1.010 |
225 |
1703 |
|
|
21 |
B2 |
3050 |
2968 |
0.973 |
225 |
1704 |
|
|
22 |
B2 |
2967 |
2887 |
0.973 |
225 |
1705 |
|
|
23 |
B2 |
1448 |
1464 |
1.011 |
225 |
1706 |
|
|
24 |
B2 |
1350 |
1378 |
1.021 |
225 |
1707 |
|
|
25 |
B2 |
1316 |
1338 |
1.017 |
225 |
1708 |
|
|
26 |
B2 |
1050 |
1054 |
1.004 |
225 |
1709 |
|
|
27 |
B2 |
898 |
922 |
1.027 |
225 |
1710 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3174 |
3091 |
0.974 |
226 |
1711 |
|
|
2 |
A1 |
3147 |
3075 |
0.977 |
226 |
1712 |
|
|
3 |
A1 |
2957 |
2886 |
0.976 |
226 |
1713 |
|
|
4 |
A1 |
1510 |
1500 |
0.993 |
226 |
1714 |
|
|
5 |
A1 |
1365 |
1378 |
1.010 |
226 |
1715 |
|
|
6 |
A1 |
1344 |
1365 |
1.015 |
226 |
1716 |
|
|
7 |
A1 |
1097 |
1106 |
1.008 |
226 |
1717 |
|
|
8 |
A1 |
1009 |
994 |
0.985 |
226 |
1718 |
|
|
9 |
A1 |
917 |
915 |
0.998 |
226 |
1719 |
|
|
10 |
A1 |
787 |
802 |
1.019 |
226 |
1720 |
|
|
11 |
A2 |
1071 |
1100 |
1.027 |
226 |
1721 |
|
|
12 |
A2 |
920 |
941 |
1.023 |
226 |
1722 |
|
|
13 |
A2 |
686 |
700 |
1.020 |
226 |
1723 |
|
|
14 |
A2 |
507 |
516 |
1.018 |
226 |
1724 |
|
|
15 |
B1 |
2986 |
2900 |
0.971 |
226 |
1725 |
|
|
16 |
B1 |
912 |
925 |
1.015 |
226 |
1726 |
|
|
17 |
B1 |
876 |
891 |
1.017 |
226 |
1727 |
|
|
18 |
B1 |
666 |
664 |
0.997 |
226 |
1728 |
|
|
19 |
B1 |
333 |
350 |
1.052 |
226 |
1729 |
|
|
20 |
B2 |
3168 |
3105 |
0.980 |
226 |
1730 |
|
|
21 |
B2 |
3136 |
3043 |
0.970 |
226 |
1731 |
|
|
22 |
B2 |
1593 |
1580 |
0.992 |
226 |
1732 |
|
|
23 |
B2 |
1272 |
1292 |
1.016 |
226 |
1733 |
|
|
24 |
B2 |
1213 |
1239 |
1.021 |
226 |
1734 |
|
|
25 |
B2 |
1079 |
1090 |
1.010 |
226 |
1735 |
|
|
26 |
B2 |
955 |
959 |
1.004 |
226 |
1736 |
|
|
27 |
B2 |
786 |
805 |
1.024 |
226 |
1737 |
C5H5N |
Pyridine |
1 |
A1 |
3135 |
3094 |
0.987 |
227 |
1738 |
|
|
2 |
A1 |
3111 |
3073 |
0.988 |
227 |
1739 |
|
|
3 |
A1 |
3081 |
3030 |
0.984 |
227 |
1740 |
|
|
4 |
A1 |
1579 |
1584 |
1.003 |
227 |
1741 |
|
|
5 |
A1 |
1466 |
1483 |
1.012 |
227 |
1742 |
|
|
6 |
A1 |
1211 |
1218 |
1.006 |
227 |
1743 |
|
|
7 |
A1 |
1066 |
1072 |
1.005 |
227 |
1744 |
|
|
8 |
A1 |
1024 |
1032 |
1.008 |
227 |
1745 |
|
|
9 |
A1 |
979 |
991 |
1.013 |
227 |
1746 |
|
|
10 |
A1 |
588 |
601 |
1.022 |
227 |
1747 |
|
|
11 |
A2 |
961 |
980 |
1.020 |
227 |
1748 |
|
|
12 |
A2 |
874 |
880 |
1.007 |
227 |
1749 |
|
|
13 |
A2 |
361 |
373 |
1.034 |
227 |
1750 |
|
|
14 |
B1 |
976 |
1007 |
1.031 |
227 |
1751 |
|
|
15 |
B1 |
928 |
937 |
1.009 |
227 |
1752 |
|
|
16 |
B1 |
748 |
744 |
0.995 |
227 |
1753 |
|
|
17 |
B1 |
701 |
700 |
0.999 |
227 |
1754 |
|
|
18 |
B1 |
400 |
403 |
1.008 |
227 |
1755 |
|
|
19 |
B2 |
3126 |
3087 |
0.988 |
227 |
1756 |
|
|
20 |
B2 |
3078 |
3042 |
0.988 |
227 |
1757 |
|
|
21 |
B2 |
1577 |
1581 |
1.002 |
227 |
1758 |
|
|
22 |
B2 |
1426 |
1442 |
1.011 |
227 |
1759 |
|
|
23 |
B2 |
1334 |
1362 |
1.021 |
227 |
1760 |
|
|
24 |
B2 |
1306 |
1227 |
0.940 |
227 |
1761 |
|
|
25 |
B2 |
1137 |
1143 |
1.005 |
227 |
1762 |
|
|
26 |
B2 |
1050 |
1079 |
1.027 |
227 |
1763 |
|
|
27 |
B2 |
643 |
652 |
1.014 |
227 |
1764 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3105 |
3058 |
0.985 |
228 |
1765 |
|
|
2 |
A' |
3075 |
2995 |
0.974 |
228 |
1766 |
|
|
3 |
A' |
3049 |
2963 |
0.972 |
228 |
1767 |
|
|
4 |
A' |
2963 |
2938 |
0.992 |
228 |
1768 |
|
|
5 |
A' |
2752 |
2805 |
1.019 |
228 |
1769 |
|
|
6 |
A' |
1737 |
1720 |
0.990 |
228 |
1770 |
|
|
7 |
A' |
1657 |
1649 |
0.995 |
228 |
1771 |
|
|
8 |
A' |
1431 |
1455 |
1.017 |
228 |
1772 |
|
|
9 |
A' |
1376 |
1391 |
1.011 |
228 |
1773 |
|
|
10 |
A' |
1351 |
1375 |
1.018 |
228 |
1774 |
|
|
11 |
A' |
1283 |
1304 |
1.016 |
228 |
1775 |
|
|
12 |
A' |
1226 |
1253 |
1.022 |
228 |
1776 |
|
|
13 |
A' |
1133 |
1147 |
1.012 |
228 |
1777 |
|
|
14 |
A' |
1079 |
1074 |
0.995 |
228 |
1778 |
|
|
15 |
A' |
914 |
973 |
1.065 |
228 |
1779 |
|
|
16 |
A' |
525 |
539 |
1.026 |
228 |
1780 |
|
|
17 |
A' |
446 |
464 |
1.041 |
228 |
1781 |
|
|
18 |
A' |
199 |
230 |
1.156 |
228 |
1782 |
|
|
19 |
A" |
3018 |
2980 |
0.987 |
228 |
1783 |
|
|
20 |
A" |
1424 |
1455 |
1.021 |
228 |
1784 |
|
|
21 |
A" |
1027 |
1042 |
1.015 |
228 |
1785 |
|
|
22 |
A" |
1002 |
973 |
0.971 |
228 |
1786 |
|
|
23 |
A" |
977 |
928 |
0.950 |
228 |
1787 |
|
|
24 |
A" |
771 |
780 |
1.012 |
228 |
1788 |
|
|
25 |
A" |
296 |
295 |
0.996 |
228 |
1789 |
|
|
26 |
A" |
201 |
173 |
0.859 |
228 |
1790 |
|
|
27 |
A" |
127 |
122 |
0.960 |
228 |
1791 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3082 |
3005 |
0.975 |
229 |
1792 |
|
|
2 |
A' |
3059 |
2955 |
0.966 |
229 |
1793 |
|
|
3 |
A' |
3016 |
2927 |
0.971 |
229 |
1794 |
|
|
4 |
A' |
2979 |
2878 |
0.966 |
229 |
1795 |
|
|
5 |
A' |
1456 |
1472 |
1.011 |
229 |
1796 |
|
|
6 |
A' |
1440 |
1454 |
1.010 |
229 |
1797 |
|
|
7 |
A' |
1364 |
1390 |
1.019 |
229 |
1798 |
|
|
8 |
A' |
1234 |
1270 |
1.029 |
229 |
1799 |
|
|
9 |
A' |
1144 |
1163 |
1.016 |
229 |
1800 |
|
|
10 |
A' |
1040 |
1065 |
1.024 |
229 |
1801 |
|
|
11 |
A' |
877 |
888 |
1.013 |
229 |
1802 |
|
|
12 |
A' |
609 |
633 |
1.040 |
229 |
1803 |
|
|
13 |
A' |
406 |
418 |
1.029 |
229 |
1804 |
|
|
14 |
A' |
324 |
336 |
1.037 |
229 |
1805 |
|
|
15 |
A' |
261 |
253 |
0.971 |
229 |
1806 |
|
|
16 |
A" |
3079 |
2997 |
0.973 |
229 |
1807 |
|
|
17 |
A" |
3054 |
2985 |
0.978 |
229 |
1808 |
|
|
18 |
A" |
2975 |
2947 |
0.991 |
229 |
1809 |
|
|
19 |
A" |
1433 |
1472 |
1.027 |
229 |
1810 |
|
|
20 |
A" |
1427 |
1454 |
1.019 |
229 |
1811 |
|
|
21 |
A" |
1348 |
1377 |
1.021 |
229 |
1812 |
|
|
22 |
A" |
1308 |
1334 |
1.020 |
229 |
1813 |
|
|
23 |
A" |
1122 |
1123 |
1.000 |
229 |
1814 |
|
|
24 |
A" |
919 |
972 |
1.058 |
229 |
1815 |
|
|
25 |
A" |
906 |
936 |
1.034 |
229 |
1816 |
|
|
26 |
A" |
311 |
317 |
1.021 |
229 |
1817 |
|
|
27 |
A" |
234 |
276 |
1.180 |
229 |
1818 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3101 |
3022 |
0.975 |
230 |
1819 |
|
|
2 |
A |
3087 |
3004 |
0.973 |
230 |
1820 |
|
|
3 |
A |
3072 |
2991 |
0.974 |
230 |
1821 |
|
|
4 |
A |
3036 |
2970 |
0.978 |
230 |
1822 |
|
|
5 |
A |
3026 |
2949 |
0.974 |
230 |
1823 |
|
|
6 |
A |
2989 |
2908 |
0.973 |
230 |
1824 |
|
|
7 |
A |
1445 |
1462 |
1.012 |
230 |
1825 |
|
|
8 |
A |
1437 |
1459 |
1.015 |
230 |
1826 |
|
|
9 |
A |
1421 |
1446 |
1.017 |
230 |
1827 |
|
|
10 |
A |
1355 |
1391 |
1.027 |
230 |
1828 |
|
|
11 |
A |
1324 |
1347 |
1.018 |
230 |
1829 |
|
|
12 |
A |
1248 |
1286 |
1.030 |
230 |
1830 |
|
|
13 |
A |
1208 |
1238 |
1.025 |
230 |
1831 |
|
|
14 |
A |
1162 |
1181 |
1.016 |
230 |
1832 |
|
|
15 |
A |
1119 |
1120 |
1.001 |
230 |
1833 |
|
|
16 |
A |
1042 |
1076 |
1.032 |
230 |
1834 |
|
|
17 |
A |
993 |
1023 |
1.030 |
230 |
1835 |
|
|
18 |
A |
888 |
890 |
1.002 |
230 |
1836 |
|
|
19 |
A |
846 |
850 |
1.004 |
230 |
1837 |
|
|
20 |
A |
724 |
750 |
1.036 |
230 |
1838 |
|
|
21 |
A |
658 |
685 |
1.040 |
230 |
1839 |
|
|
22 |
A |
395 |
417 |
1.056 |
230 |
1840 |
|
|
23 |
A |
338 |
358 |
1.058 |
230 |
1841 |
|
|
24 |
A |
272 |
285 |
1.049 |
230 |
1842 |
|
|
25 |
A |
245 |
250 |
1.020 |
230 |
1843 |
|
|
26 |
A |
198 |
203 |
1.026 |
230 |
1844 |
|
|
27 |
A |
109 |
108 |
0.988 |
230 |
1845 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3078 |
2989 |
0.971 |
231 |
1846 |
|
|
2 |
A1 |
3065 |
2941 |
0.960 |
231 |
1847 |
|
|
3 |
A1 |
2959 |
2911 |
0.984 |
231 |
1848 |
|
|
4 |
A1 |
1682 |
1661 |
0.988 |
231 |
1849 |
|
|
5 |
A1 |
1452 |
1470 |
1.013 |
231 |
1850 |
|
|
6 |
A1 |
1395 |
1416 |
1.015 |
231 |
1851 |
|
|
7 |
A1 |
1357 |
1366 |
1.006 |
231 |
1852 |
|
|
8 |
A1 |
1049 |
1064 |
1.014 |
231 |
1853 |
|
|
9 |
A1 |
809 |
801 |
0.990 |
231 |
1854 |
|
|
10 |
A1 |
364 |
383 |
1.053 |
231 |
1855 |
|
|
11 |
A2 |
3009 |
2970 |
0.987 |
231 |
1856 |
|
|
12 |
A2 |
1418 |
1459 |
1.029 |
231 |
1857 |
|
|
13 |
A2 |
987 |
1076 |
1.090 |
231 |
1858 |
|
|
14 |
A2 |
683 |
|
|
231 |
1859 |
|
|
15 |
A2 |
174 |
193 |
1.107 |
231 |
1860 |
|
|
16 |
B1 |
3011 |
2945 |
0.978 |
231 |
1861 |
|
|
17 |
B1 |
1438 |
1444 |
1.004 |
231 |
1862 |
|
|
18 |
B1 |
1065 |
1079 |
1.014 |
231 |
1863 |
|
|
19 |
B1 |
878 |
890 |
1.013 |
231 |
1864 |
|
|
20 |
B1 |
427 |
429 |
1.005 |
231 |
1865 |
|
|
21 |
B1 |
211 |
196 |
0.928 |
231 |
1866 |
|
|
22 |
B2 |
3163 |
3086 |
0.976 |
231 |
1867 |
|
|
23 |
B2 |
3063 |
2980 |
0.973 |
231 |
1868 |
|
|
24 |
B2 |
2954 |
2893 |
0.980 |
231 |
1869 |
|
|
25 |
B2 |
1432 |
1458 |
1.018 |
231 |
1870 |
|
|
26 |
B2 |
1354 |
1381 |
1.020 |
231 |
1871 |
|
|
27 |
B2 |
1262 |
1282 |
1.016 |
231 |
1872 |
|
|
28 |
B2 |
960 |
1043 |
1.087 |
231 |
1873 |
|
|
29 |
B2 |
929 |
974 |
1.048 |
231 |
1874 |
|
|
30 |
B2 |
420 |
430 |
1.024 |
231 |
1875 |
C6H6 |
Benzene |
1 |
A1g |
3136 |
3062 |
0.976 |
232 |
1876 |
|
|
2 |
A1g |
997 |
992 |
0.995 |
232 |
1877 |
|
|
3 |
A2g |
1310 |
1326 |
1.012 |
232 |
1878 |
|
|
4 |
A2u |
671 |
673 |
1.002 |
232 |
1879 |
|
|
5 |
B1u |
3100 |
3068 |
0.990 |
232 |
1880 |
|
|
6 |
B1u |
981 |
1010 |
1.030 |
232 |
1881 |
|
|
7 |
B2g |
969 |
995 |
1.027 |
232 |
1882 |
|
|
8 |
B2g |
701 |
703 |
1.003 |
232 |
1883 |
|
|
9 |
B2u |
1351 |
1310 |
0.969 |
232 |
1884 |
|
|
10 |
B2u |
1137 |
1150 |
1.011 |
232 |
1885 |
|
|
11 |
E1g |
839 |
849 |
1.012 |
232 |
1886 |
|
|
12 |
E1u |
3126 |
3063 |
0.980 |
232 |
1887 |
|
|
13 |
E1u |
1464 |
1486 |
1.015 |
232 |
1888 |
|
|
14 |
E1u |
1037 |
1038 |
1.001 |
232 |
1889 |
|
|
15 |
E2g |
3110 |
3047 |
0.980 |
232 |
1890 |
|
|
16 |
E2g |
1593 |
1596 |
1.002 |
232 |
1891 |
|
|
17 |
E2g |
1163 |
1178 |
1.013 |
232 |
1892 |
|
|
18 |
E2g |
595 |
606 |
1.018 |
232 |
1893 |
|
|
19 |
E2u |
922 |
975 |
1.058 |
232 |
1894 |
|
|
20 |
E2u |
395 |
410 |
1.037 |
232 |
1895 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3173 |
3088 |
0.973 |
233 |
1896 |
|
|
2 |
A |
3093 |
3017 |
0.975 |
233 |
1897 |
|
|
3 |
A |
3082 |
3011 |
0.977 |
233 |
1898 |
|
|
4 |
A |
3081 |
2990 |
0.971 |
233 |
1899 |
|
|
5 |
A |
3063 |
2974 |
0.971 |
233 |
1900 |
|
|
6 |
A |
3027 |
2967 |
0.980 |
233 |
1901 |
|
|
7 |
A |
2981 |
2927 |
0.982 |
233 |
1902 |
|
|
8 |
A |
1662 |
1645 |
0.990 |
233 |
1903 |
|
|
9 |
A |
1441 |
1452 |
1.008 |
233 |
1904 |
|
|
10 |
A |
1433 |
1447 |
1.009 |
233 |
1905 |
|
|
11 |
A |
1407 |
1424 |
1.012 |
233 |
1906 |
|
|
12 |
A |
1351 |
1375 |
1.018 |
233 |
1907 |
|
|
13 |
A |
1289 |
1297 |
1.006 |
233 |
1908 |
|
|
14 |
A |
1269 |
1283 |
1.011 |
233 |
1909 |
|
|
15 |
A |
1205 |
1233 |
1.024 |
233 |
1910 |
|
|
16 |
A |
1158 |
1174 |
1.013 |
233 |
1911 |
|
|
17 |
A |
1077 |
1090 |
1.012 |
233 |
1912 |
|
|
18 |
A |
1002 |
1025 |
1.022 |
233 |
1913 |
|
|
19 |
A |
994 |
988 |
0.994 |
233 |
1914 |
|
|
20 |
A |
946 |
966 |
1.021 |
233 |
1915 |
|
|
21 |
A |
913 |
931 |
1.020 |
233 |
1916 |
|
|
22 |
A |
849 |
864 |
1.017 |
233 |
1917 |
|
|
23 |
A |
697 |
708 |
1.015 |
233 |
1918 |
|
|
24 |
A |
613 |
625 |
1.020 |
233 |
1919 |
|
|
25 |
A |
445 |
456 |
1.025 |
233 |
1920 |
|
|
26 |
A |
306 |
319 |
1.042 |
233 |
1921 |
|
|
27 |
A |
292 |
305 |
1.045 |
233 |
1922 |
|
|
28 |
A |
270 |
283 |
1.049 |
233 |
1923 |
|
|
29 |
A |
242 |
245 |
1.014 |
233 |
1924 |
|
|
30 |
A |
103 |
92 |
0.895 |
233 |
1925 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3177 |
3095 |
0.974 |
234 |
1926 |
|
|
2 |
A' |
3170 |
3095 |
0.976 |
234 |
1927 |
|
|
3 |
A' |
3093 |
3000 |
0.970 |
234 |
1928 |
|
|
4 |
A' |
3082 |
3000 |
0.973 |
234 |
1929 |
|
|
5 |
A' |
3075 |
3000 |
0.976 |
234 |
1930 |
|
|
6 |
A' |
3070 |
2984 |
0.972 |
234 |
1931 |
|
|
7 |
A' |
2969 |
2904 |
0.978 |
234 |
1932 |
|
|
8 |
A' |
1652 |
1638 |
0.991 |
234 |
1933 |
|
|
9 |
A' |
1618 |
1607 |
0.993 |
234 |
1934 |
|
|
10 |
A' |
1451 |
1464 |
1.009 |
234 |
1935 |
|
|
11 |
A' |
1409 |
1420 |
1.008 |
234 |
1936 |
|
|
12 |
A' |
1387 |
1389 |
1.002 |
234 |
1937 |
|
|
13 |
A' |
1356 |
1363 |
1.005 |
234 |
1938 |
|
|
14 |
A' |
1296 |
1313 |
1.013 |
234 |
1939 |
|
|
15 |
A' |
1280 |
1303 |
1.018 |
234 |
1940 |
|
|
16 |
A' |
1052 |
1072 |
1.019 |
234 |
1941 |
|
|
17 |
A' |
974 |
1012 |
1.039 |
234 |
1942 |
|
|
18 |
A' |
940 |
953 |
1.013 |
234 |
1943 |
|
|
19 |
A' |
785 |
770 |
0.980 |
234 |
1944 |
|
|
20 |
A' |
516 |
530 |
1.026 |
234 |
1945 |
|
|
21 |
A' |
410 |
396 |
0.965 |
234 |
1946 |
|
|
22 |
A' |
266 |
196 |
0.736 |
234 |
1947 |
|
|
23 |
A" |
3028 |
2949 |
0.974 |
234 |
1948 |
|
|
24 |
A" |
1428 |
1451 |
1.016 |
234 |
1949 |
|
|
25 |
A" |
1033 |
1034 |
1.001 |
234 |
1950 |
|
|
26 |
A" |
999 |
991 |
0.992 |
234 |
1951 |
|
|
27 |
A" |
887 |
907 |
1.023 |
234 |
1952 |
|
|
28 |
A" |
880 |
907 |
1.031 |
234 |
1953 |
|
|
29 |
A" |
769 |
757 |
0.984 |
234 |
1954 |
|
|
30 |
A" |
623 |
615 |
0.987 |
234 |
1955 |
|
|
31 |
A" |
399 |
290 |
0.727 |
234 |
1956 |
|
|
32 |
A" |
198 |
153 |
0.773 |
234 |
1957 |
C5H8 |
Cyclopentene |
1 |
A' |
3142 |
3066 |
0.976 |
235 |
1958 |
|
|
2 |
A' |
3048 |
2958 |
0.971 |
235 |
1959 |
|
|
3 |
A' |
3004 |
2916 |
0.971 |
235 |
1960 |
|
|
4 |
A' |
2985 |
2902 |
0.972 |
235 |
1961 |
|
|
5 |
A' |
2940 |
2852 |
0.970 |
235 |
1962 |
|
|
6 |
A' |
1639 |
1616 |
0.986 |
235 |
1963 |
|
|
7 |
A' |
1452 |
1467 |
1.011 |
235 |
1964 |
|
|
8 |
A' |
1428 |
1449 |
1.015 |
235 |
1965 |
|
|
9 |
A' |
1281 |
1302 |
1.016 |
235 |
1966 |
|
|
10 |
A' |
1187 |
1284 |
1.082 |
235 |
1967 |
|
|
11 |
A' |
1092 |
1213 |
1.111 |
235 |
1968 |
|
|
12 |
A' |
1031 |
1048 |
1.017 |
235 |
1969 |
|
|
13 |
A' |
964 |
964 |
1.000 |
235 |
1970 |
|
|
14 |
A' |
897 |
962 |
1.073 |
235 |
1971 |
|
|
15 |
A' |
797 |
904 |
1.135 |
235 |
1972 |
|
|
16 |
A' |
695 |
692 |
0.996 |
235 |
1973 |
|
|
17 |
A' |
592 |
603 |
1.018 |
235 |
1974 |
|
|
18 |
A' |
135 |
254 |
1.880 |
235 |
1975 |
|
|
19 |
A" |
3116 |
3039 |
0.975 |
235 |
1976 |
|
|
20 |
A" |
2994 |
2967 |
0.991 |
235 |
1977 |
|
|
21 |
A" |
2941 |
2927 |
0.995 |
235 |
1978 |
|
|
22 |
A" |
1432 |
1467 |
1.024 |
235 |
1979 |
|
|
23 |
A" |
1335 |
1432 |
1.072 |
235 |
1980 |
|
|
24 |
A" |
1274 |
1356 |
1.064 |
235 |
1981 |
|
|
25 |
A" |
1254 |
1302 |
1.038 |
235 |
1982 |
|
|
26 |
A" |
1183 |
1297 |
1.096 |
235 |
1983 |
|
|
27 |
A" |
1107 |
1207 |
1.090 |
235 |
1984 |
|
|
28 |
A" |
1021 |
1113 |
1.090 |
235 |
1985 |
|
|
29 |
A" |
933 |
1082 |
1.160 |
235 |
1986 |
|
|
30 |
A" |
905 |
937 |
1.036 |
235 |
1987 |
|
|
31 |
A" |
869 |
800 |
0.921 |
235 |
1988 |
|
|
32 |
A" |
759 |
702 |
0.925 |
235 |
1989 |
|
|
33 |
A" |
379 |
387 |
1.021 |
235 |
1990 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3080 |
2987 |
0.970 |
236 |
1991 |
|
|
2 |
A1 |
3053 |
2941 |
0.963 |
236 |
1992 |
|
|
3 |
A1 |
2960 |
2916 |
0.985 |
236 |
1993 |
|
|
4 |
A1 |
2025 |
1996 |
0.986 |
236 |
1994 |
|
|
5 |
A1 |
1468 |
1470 |
1.001 |
236 |
1995 |
|
|
6 |
A1 |
1421 |
1438 |
1.012 |
236 |
1996 |
|
|
7 |
A1 |
1356 |
1369 |
1.009 |
236 |
1997 |
|
|
8 |
A1 |
1282 |
1286 |
1.003 |
236 |
1998 |
|
|
9 |
A1 |
995 |
973 |
0.978 |
236 |
1999 |
|
|
10 |
A1 |
727 |
726 |
0.999 |
236 |
2000 |
|
|
11 |
A1 |
326 |
349 |
1.072 |
236 |
2001 |
|
|
12 |
A2 |
3015 |
2941 |
0.976 |
236 |
2002 |
|
|
13 |
A2 |
1422 |
1470 |
1.034 |
236 |
2003 |
|
|
14 |
A2 |
967 |
985 |
1.019 |
236 |
2004 |
|
|
15 |
A2 |
598 |
617 |
1.033 |
236 |
2005 |
|
|
17 |
B1 |
3123 |
3051 |
0.977 |
236 |
2006 |
|
|
18 |
B1 |
3015 |
2941 |
0.975 |
236 |
2007 |
|
|
19 |
B1 |
1439 |
1470 |
1.021 |
236 |
2008 |
|
|
20 |
B1 |
1054 |
1068 |
1.013 |
236 |
2009 |
|
|
21 |
B1 |
983 |
1004 |
1.021 |
236 |
2010 |
|
|
22 |
B1 |
445 |
443 |
0.996 |
236 |
2011 |
|
|
23 |
B1 |
258 |
187 |
0.725 |
236 |
2012 |
|
|
25 |
B2 |
3079 |
2941 |
0.955 |
236 |
2013 |
|
|
26 |
B2 |
2956 |
2916 |
0.986 |
236 |
2014 |
|
|
27 |
B2 |
1430 |
1470 |
1.028 |
236 |
2015 |
|
|
28 |
B2 |
1339 |
1369 |
1.023 |
236 |
2016 |
|
|
29 |
B2 |
1183 |
1191 |
1.007 |
236 |
2017 |
|
|
30 |
B2 |
935 |
968 |
1.036 |
236 |
2018 |
|
|
31 |
B2 |
824 |
848 |
1.029 |
236 |
2019 |
|
|
32 |
B2 |
586 |
554 |
0.946 |
236 |
2020 |
|
|
33 |
B2 |
176 |
187 |
1.062 |
236 |
2021 |
C5H8 |
Spiropentane |
1 |
A1 |
3059 |
3000 |
0.981 |
237 |
2022 |
|
|
2 |
A1 |
1442 |
1423 |
0.987 |
237 |
2023 |
|
|
3 |
A1 |
1068 |
1160 |
1.086 |
237 |
2024 |
|
|
4 |
A1 |
1020 |
1037 |
1.017 |
237 |
2025 |
|
|
5 |
A1 |
603 |
588 |
0.976 |
237 |
2026 |
|
|
6 |
A2 |
3136 |
3070 |
0.979 |
237 |
2027 |
|
|
7 |
A2 |
1133 |
1174 |
1.036 |
237 |
2028 |
|
|
8 |
A2 |
804 |
919 |
1.142 |
237 |
2029 |
|
|
9 |
B1 |
3134 |
3066 |
0.978 |
237 |
2030 |
|
|
10 |
B1 |
1143 |
1166 |
1.020 |
237 |
2031 |
|
|
11 |
B1 |
993 |
888 |
0.894 |
237 |
2032 |
|
|
12 |
B1 |
282 |
300 |
1.064 |
237 |
2033 |
|
|
13 |
B2 |
3059 |
3000 |
0.981 |
237 |
2034 |
|
|
14 |
B2 |
1545 |
1521 |
0.984 |
237 |
2035 |
|
|
15 |
B2 |
1391 |
1415 |
1.017 |
237 |
2036 |
|
|
16 |
B2 |
976 |
990 |
1.015 |
237 |
2037 |
|
|
17 |
B2 |
906 |
872 |
0.962 |
237 |
2038 |
|
|
18 |
E |
3149 |
3067 |
0.974 |
237 |
2039 |
|
|
19 |
E |
3056 |
2985 |
0.977 |
237 |
2040 |
|
|
20 |
E |
1414 |
1431 |
1.012 |
237 |
2041 |
|
|
21 |
E |
1145 |
1150 |
1.004 |
237 |
2042 |
|
|
22 |
E |
1032 |
1049 |
1.017 |
237 |
2043 |
|
|
23 |
E |
877 |
870 |
0.992 |
237 |
2044 |
|
|
24 |
E |
762 |
780 |
1.024 |
237 |
2045 |
|
|
25 |
E |
296 |
308 |
1.041 |
237 |
2046 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
2995 |
2953 |
0.986 |
238 |
2047 |
|
|
2 |
A1 |
2849 |
2775 |
0.974 |
238 |
2048 |
|
|
3 |
A1 |
1452 |
1459 |
1.004 |
238 |
2049 |
|
|
4 |
A1 |
1430 |
1444 |
1.010 |
238 |
2050 |
|
|
5 |
A1 |
1169 |
1186 |
1.015 |
238 |
2051 |
|
|
6 |
A1 |
827 |
828 |
1.002 |
238 |
2052 |
|
|
7 |
A1 |
336 |
367 |
1.092 |
238 |
2053 |
|
|
8 |
A2 |
3042 |
2977 |
0.979 |
238 |
2054 |
|
|
9 |
A2 |
1436 |
1453 |
1.011 |
238 |
2055 |
|
|
10 |
A2 |
1035 |
1046 |
1.011 |
238 |
2056 |
|
|
11 |
A2 |
256 |
255 |
0.996 |
238 |
2057 |
|
|
12 |
E |
3045 |
2981 |
0.979 |
238 |
2058 |
|
|
13 |
E |
2993 |
2953 |
0.987 |
238 |
2059 |
|
|
14 |
E |
2832 |
2776 |
0.980 |
238 |
2060 |
|
|
15 |
E |
1463 |
1471 |
1.006 |
238 |
2061 |
|
|
16 |
E |
1426 |
1444 |
1.013 |
238 |
2062 |
|
|
17 |
E |
1387 |
1409 |
1.016 |
238 |
2063 |
|
|
18 |
E |
1272 |
1275 |
1.003 |
238 |
2064 |
|
|
19 |
E |
1085 |
1103 |
1.017 |
238 |
2065 |
|
|
20 |
E |
1043 |
1043 |
1.000 |
238 |
2066 |
|
|
21 |
E |
407 |
424 |
1.040 |
238 |
2067 |
|
|
22 |
E |
266 |
281 |
1.055 |
238 |
2068 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3062 |
2974 |
0.971 |
239 |
2069 |
|
|
2 |
A' |
3050 |
2953 |
0.968 |
239 |
2070 |
|
|
3 |
A' |
3003 |
2940 |
0.979 |
239 |
2071 |
|
|
4 |
A' |
2972 |
2876 |
0.968 |
239 |
2072 |
|
|
5 |
A' |
2727 |
2757 |
1.011 |
239 |
2073 |
|
|
6 |
A' |
1782 |
1752 |
0.983 |
239 |
2074 |
|
|
7 |
A' |
1461 |
1474 |
1.009 |
239 |
2075 |
|
|
8 |
A' |
1453 |
1449 |
0.998 |
239 |
2076 |
|
|
9 |
A' |
1379 |
1399 |
1.015 |
239 |
2077 |
|
|
10 |
A' |
1358 |
1381 |
1.017 |
239 |
2078 |
|
|
11 |
A' |
1260 |
1329 |
1.055 |
239 |
2079 |
|
|
12 |
A' |
1143 |
1182 |
1.034 |
239 |
2080 |
|
|
13 |
A' |
1137 |
1138 |
1.001 |
239 |
2081 |
|
|
14 |
A' |
897 |
922 |
1.027 |
239 |
2082 |
|
|
15 |
A' |
823 |
800 |
0.972 |
239 |
2083 |
|
|
16 |
A' |
529 |
632 |
1.195 |
239 |
2084 |
|
|
17 |
A' |
336 |
395 |
1.176 |
239 |
2085 |
|
|
18 |
A' |
319 |
272 |
0.853 |
239 |
2086 |
|
|
19 |
A' |
224 |
212 |
0.947 |
239 |
2087 |
|
|
20 |
A" |
3061 |
2990 |
0.977 |
239 |
2088 |
|
|
21 |
A" |
3046 |
2982 |
0.979 |
239 |
2089 |
|
|
22 |
A" |
2970 |
2885 |
0.971 |
239 |
2090 |
|
|
23 |
A" |
1438 |
1467 |
1.020 |
239 |
2091 |
|
|
24 |
A" |
1435 |
1452 |
1.012 |
239 |
2092 |
|
|
25 |
A" |
1341 |
1437 |
1.072 |
239 |
2093 |
|
|
26 |
A" |
1295 |
1290 |
0.997 |
239 |
2094 |
|
|
27 |
A" |
1102 |
1109 |
1.006 |
239 |
2095 |
|
|
28 |
A" |
966 |
965 |
0.998 |
239 |
2096 |
|
|
29 |
A" |
922 |
942 |
1.022 |
239 |
2097 |
|
|
30 |
A" |
900 |
933 |
1.037 |
239 |
2098 |
|
|
31 |
A" |
315 |
351 |
1.113 |
239 |
2099 |
|
|
32 |
A" |
205 |
227 |
1.105 |
239 |
2100 |
|
|
33 |
A" |
69 |
75 |
1.090 |
239 |
2101 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
412 |
1442 |
3.501 |
240 |
2102 |
|
|
|
Ag |
826 |
1151 |
1.394 |
240 |
2103 |
|
|
|
Au |
1247 |
1257 |
1.008 |
240 |
2104 |
|
|
|
Bg |
1448 |
1300 |
0.898 |
240 |
2105 |
|
|
|
Bu |
2959 |
2870 |
0.970 |
240 |
2106 |
|
|
|
Bu |
2970 |
2853 |
0.960 |
240 |
2107 |
|
|
|
Bu |
3052 |
271 |
0.089 |
240 |
2108 |
C4H9N |
Pyrrolidine |
1 |
A' |
3446 |
3356 |
0.974 |
241 |
2109 |
|
|
2 |
A' |
3064 |
2975 |
0.971 |
241 |
2110 |
|
|
3 |
A' |
3017 |
2927 |
0.970 |
241 |
2111 |
|
|
4 |
A' |
3002 |
2889 |
0.962 |
241 |
2112 |
|
|
5 |
A' |
2849 |
2824 |
0.991 |
241 |
2113 |
|
|
6 |
A' |
1479 |
1484 |
1.003 |
241 |
2114 |
|
|
7 |
A' |
1451 |
1447 |
0.997 |
241 |
2115 |
|
|
8 |
A' |
1352 |
1292 |
0.956 |
241 |
2116 |
|
|
9 |
A' |
1272 |
1273 |
1.001 |
241 |
2117 |
|
|
10 |
A' |
1204 |
1228 |
1.020 |
241 |
2118 |
|
|
11 |
A' |
1184 |
1181 |
0.997 |
241 |
2119 |
|
|
12 |
A' |
1047 |
974 |
0.930 |
241 |
2120 |
|
|
13 |
A' |
988 |
920 |
0.931 |
241 |
2121 |
|
|
14 |
A' |
927 |
901 |
0.972 |
241 |
2122 |
|
|
15 |
A' |
893 |
871 |
0.975 |
241 |
2123 |
|
|
16 |
A' |
855 |
832 |
0.973 |
241 |
2124 |
|
|
17 |
A' |
741 |
789 |
1.065 |
241 |
2125 |
|
|
18 |
A' |
560 |
579 |
1.034 |
241 |
2126 |
|
|
19 |
A' |
292 |
299 |
1.023 |
241 |
2127 |
|
|
20 |
A" |
3044 |
2967 |
0.975 |
241 |
2128 |
|
|
21 |
A" |
3007 |
2916 |
0.970 |
241 |
2129 |
|
|
22 |
A" |
2999 |
2879 |
0.960 |
241 |
2130 |
|
|
23 |
A" |
2845 |
2818 |
0.991 |
241 |
2131 |
|
|
24 |
A" |
1458 |
1459 |
1.001 |
241 |
2132 |
|
|
25 |
A" |
1433 |
1412 |
0.986 |
241 |
2133 |
|
|
26 |
A" |
1389 |
1341 |
0.965 |
241 |
2134 |
|
|
27 |
A" |
1279 |
1268 |
0.991 |
241 |
2135 |
|
|
28 |
A" |
1259 |
1211 |
0.962 |
241 |
2136 |
|
|
29 |
A" |
1203 |
1203 |
1.000 |
241 |
2137 |
|
|
30 |
A" |
1159 |
1171 |
1.010 |
241 |
2138 |
|
|
31 |
A" |
1106 |
1099 |
0.993 |
241 |
2139 |
|
|
32 |
A" |
1076 |
1023 |
0.951 |
241 |
2140 |
|
|
33 |
A" |
919 |
883 |
0.961 |
241 |
2141 |
|
|
34 |
A" |
847 |
848 |
1.001 |
241 |
2142 |
|
|
35 |
A" |
617 |
600 |
0.973 |
241 |
2143 |
|
|
36 |
A" |
77 |
65 |
0.846 |
241 |
2144 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3388 |
3345 |
0.987 |
242 |
2145 |
|
|
2 |
A' |
3077 |
2975 |
0.967 |
242 |
2146 |
|
|
3 |
A' |
3046 |
2950 |
0.968 |
242 |
2147 |
|
|
4 |
A' |
3012 |
2918 |
0.969 |
242 |
2148 |
|
|
5 |
A' |
2995 |
2905 |
0.970 |
242 |
2149 |
|
|
6 |
A' |
2888 |
2887 |
1.000 |
242 |
2150 |
|
|
7 |
A' |
1602 |
1614 |
1.007 |
242 |
2151 |
|
|
8 |
A' |
1444 |
1467 |
1.016 |
242 |
2152 |
|
|
9 |
A' |
1420 |
1443 |
1.016 |
242 |
2153 |
|
|
10 |
A' |
1335 |
1390 |
1.041 |
242 |
2154 |
|
|
11 |
A' |
1242 |
1291 |
1.039 |
242 |
2155 |
|
|
12 |
A' |
1203 |
1237 |
1.029 |
242 |
2156 |
|
|
13 |
A' |
1123 |
1137 |
1.012 |
242 |
2157 |
|
|
14 |
A' |
1066 |
1120 |
1.051 |
242 |
2158 |
|
|
15 |
A' |
956 |
1050 |
1.098 |
242 |
2159 |
|
|
16 |
A' |
870 |
965 |
1.110 |
242 |
2160 |
|
|
17 |
A' |
838 |
788 |
0.940 |
242 |
2161 |
|
|
18 |
A' |
804 |
752 |
0.935 |
242 |
2162 |
|
|
19 |
A' |
640 |
606 |
0.947 |
242 |
2163 |
|
|
20 |
A' |
386 |
448 |
1.160 |
242 |
2164 |
|
|
21 |
A' |
154 |
174 |
1.133 |
242 |
2165 |
|
|
22 |
A" |
3471 |
3411 |
0.983 |
242 |
2166 |
|
|
23 |
A" |
3052 |
2970 |
0.973 |
242 |
2167 |
|
|
24 |
A" |
2991 |
2957 |
0.989 |
242 |
2168 |
|
|
25 |
A" |
1411 |
1452 |
1.029 |
242 |
2169 |
|
|
26 |
A" |
1305 |
1213 |
0.929 |
242 |
2170 |
|
|
27 |
A" |
1229 |
1185 |
0.964 |
242 |
2171 |
|
|
28 |
A" |
1213 |
1168 |
0.963 |
242 |
2172 |
|
|
29 |
A" |
1189 |
1036 |
0.872 |
242 |
2173 |
|
|
30 |
A" |
1128 |
|
|
242 |
2174 |
|
|
31 |
A" |
999 |
925 |
0.926 |
242 |
2175 |
|
|
32 |
A" |
931 |
912 |
0.980 |
242 |
2176 |
|
|
33 |
A" |
901 |
883 |
0.980 |
242 |
2177 |
|
|
34 |
A" |
742 |
788 |
1.062 |
242 |
2178 |
|
|
35 |
A" |
376 |
354 |
0.941 |
242 |
2179 |
|
|
36 |
A" |
265 |
240 |
0.904 |
242 |
2180 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3018 |
2968 |
0.984 |
243 |
2181 |
|
|
2 |
Ag |
2891 |
2856 |
0.988 |
243 |
2182 |
|
|
3 |
Ag |
1434 |
1444 |
1.007 |
243 |
2183 |
|
|
4 |
Ag |
1369 |
1397 |
1.020 |
243 |
2184 |
|
|
5 |
Ag |
1289 |
1305 |
1.013 |
243 |
2185 |
|
|
6 |
Ag |
1105 |
1128 |
1.021 |
243 |
2186 |
|
|
7 |
Ag |
1000 |
1015 |
1.015 |
243 |
2187 |
|
|
8 |
Ag |
833 |
837 |
1.005 |
243 |
2188 |
|
|
9 |
Ag |
424 |
435 |
1.025 |
243 |
2189 |
|
|
10 |
Ag |
405 |
424 |
1.048 |
243 |
2190 |
|
|
11 |
Au |
3016 |
2970 |
0.985 |
243 |
2191 |
|
|
12 |
Au |
2884 |
2863 |
0.993 |
243 |
2192 |
|
|
13 |
Au |
1420 |
1449 |
1.021 |
243 |
2193 |
|
|
14 |
Au |
1340 |
1369 |
1.022 |
243 |
2194 |
|
|
15 |
Au |
1239 |
1256 |
1.014 |
243 |
2195 |
|
|
16 |
Au |
1113 |
1136 |
1.021 |
243 |
2196 |
|
|
17 |
Au |
1071 |
1086 |
1.014 |
243 |
2197 |
|
|
18 |
Au |
871 |
881 |
1.011 |
243 |
2198 |
|
|
19 |
Au |
242 |
288 |
1.192 |
243 |
2199 |
|
|
20 |
Bg |
3016 |
2968 |
0.984 |
243 |
2200 |
|
|
21 |
Bg |
2896 |
2856 |
0.986 |
243 |
2201 |
|
|
22 |
Bg |
1419 |
1459 |
1.028 |
243 |
2202 |
|
|
23 |
Bg |
1308 |
1335 |
1.021 |
243 |
2203 |
|
|
24 |
Bg |
1196 |
1217 |
1.017 |
243 |
2204 |
|
|
25 |
Bg |
1101 |
1110 |
1.008 |
243 |
2205 |
|
|
26 |
Bg |
836 |
853 |
1.020 |
243 |
2206 |
|
|
27 |
Bg |
470 |
490 |
1.043 |
243 |
2207 |
|
|
28 |
Bu |
3017 |
2970 |
0.985 |
243 |
2208 |
|
|
29 |
Bu |
2901 |
2863 |
0.987 |
243 |
2209 |
|
|
30 |
Bu |
1427 |
1457 |
1.021 |
243 |
2210 |
|
|
31 |
Bu |
1359 |
1378 |
1.014 |
243 |
2211 |
|
|
32 |
Bu |
1278 |
1291 |
1.010 |
243 |
2212 |
|
|
33 |
Bu |
1036 |
1052 |
1.015 |
243 |
2213 |
|
|
34 |
Bu |
874 |
889 |
1.018 |
243 |
2214 |
|
|
35 |
Bu |
581 |
610 |
1.050 |
243 |
2215 |
|
|
36 |
Bu |
260 |
274 |
1.052 |
243 |
2216 |
C8H8 |
cubane |
1 |
A1g |
3068 |
2995 |
0.976 |
244 |
2217 |
|
|
2 |
A1g |
1011 |
1002 |
0.991 |
244 |
2218 |
|
|
3 |
A2u |
3032 |
2978 |
0.982 |
244 |
2219 |
|
|
4 |
A2u |
1007 |
839 |
0.833 |
244 |
2220 |
|
|
5 |
Eg |
1082 |
1083 |
1.001 |
244 |
2221 |
|
|
6 |
Eg |
902 |
912 |
1.011 |
244 |
2222 |
|
|
7 |
Eu |
1129 |
1151 |
1.019 |
244 |
2223 |
|
|
8 |
Eu |
603 |
617 |
1.024 |
244 |
2224 |
|
|
9 |
T1g |
1106 |
1130 |
1.022 |
244 |
2225 |
|
|
10 |
T1u |
3049 |
2978 |
0.977 |
244 |
2226 |
|
|
11 |
T1u |
1233 |
1230 |
0.997 |
244 |
2227 |
|
|
12 |
T1u |
856 |
853 |
0.996 |
244 |
2228 |
|
|
13 |
T2g |
3043 |
2970 |
0.976 |
244 |
2229 |
|
|
14 |
T2g |
1186 |
1182 |
0.997 |
244 |
2230 |
|
|
15 |
T2g |
825 |
821 |
0.995 |
244 |
2231 |
|
|
16 |
T2g |
656 |
665 |
1.014 |
244 |
2232 |
|
|
17 |
T2u |
1037 |
1036 |
0.999 |
244 |
2233 |
|
|
18 |
T2u |
825 |
829 |
1.004 |
244 |
2234 |
C5H12 |
Pentane |
1 |
A1 |
3052 |
2973 |
0.974 |
245 |
2235 |
|
|
2 |
A1 |
2971 |
2892 |
0.973 |
245 |
2236 |
|
|
3 |
A1 |
2961 |
2866 |
0.968 |
245 |
2237 |
|
|
4 |
A1 |
2942 |
2866 |
0.974 |
245 |
2238 |
|
|
5 |
A1 |
1464 |
1480 |
1.011 |
245 |
2239 |
|
|
6 |
A1 |
1447 |
1463 |
1.011 |
245 |
2240 |
|
|
7 |
A1 |
1432 |
1450 |
1.013 |
245 |
2241 |
|
|
8 |
A1 |
1360 |
1379 |
1.014 |
245 |
2242 |
|
|
9 |
A1 |
1319 |
1346 |
1.021 |
245 |
2243 |
|
|
10 |
A1 |
1130 |
1144 |
1.013 |
245 |
2244 |
|
|
11 |
A1 |
1036 |
1036 |
1.000 |
245 |
2245 |
|
|
12 |
A1 |
851 |
867 |
1.018 |
245 |
2246 |
|
|
13 |
A1 |
389 |
401 |
1.032 |
245 |
2247 |
|
|
14 |
A1 |
169 |
179 |
1.062 |
245 |
2248 |
|
|
15 |
A2 |
3045 |
2967 |
0.974 |
245 |
2249 |
|
|
16 |
A2 |
2990 |
2908 |
0.973 |
245 |
2250 |
|
|
17 |
A2 |
1450 |
1462 |
1.008 |
245 |
2251 |
|
|
18 |
A2 |
1289 |
1346 |
1.044 |
245 |
2252 |
|
|
19 |
A2 |
1225 |
1269 |
1.036 |
245 |
2253 |
|
|
20 |
A2 |
960 |
993 |
1.034 |
245 |
2254 |
|
|
21 |
A2 |
742 |
766 |
1.033 |
245 |
2255 |
|
|
22 |
A2 |
243 |
210 |
0.864 |
245 |
2256 |
|
|
23 |
A2 |
116 |
131 |
1.130 |
245 |
2257 |
|
|
24 |
B1 |
3046 |
2965 |
0.973 |
245 |
2258 |
|
|
25 |
B1 |
3006 |
2930 |
0.975 |
245 |
2259 |
|
|
26 |
B1 |
2970 |
2930 |
0.986 |
245 |
2260 |
|
|
27 |
B1 |
1449 |
1469 |
1.014 |
245 |
2261 |
|
|
28 |
B1 |
1284 |
1303 |
1.015 |
245 |
2262 |
|
|
29 |
B1 |
1169 |
1170 |
1.001 |
245 |
2263 |
|
|
30 |
B1 |
838 |
858 |
1.024 |
245 |
2264 |
|
|
31 |
B1 |
713 |
727 |
1.019 |
245 |
2265 |
|
|
32 |
B1 |
237 |
215 |
0.907 |
245 |
2266 |
|
|
33 |
B1 |
115 |
88 |
0.766 |
245 |
2267 |
|
|
34 |
B2 |
3051 |
2965 |
0.972 |
245 |
2268 |
|
|
35 |
B2 |
2970 |
2879 |
0.969 |
245 |
2269 |
|
|
36 |
B2 |
2954 |
2866 |
0.970 |
245 |
2270 |
|
|
37 |
B2 |
1457 |
1476 |
1.013 |
245 |
2271 |
|
|
38 |
B2 |
1435 |
1456 |
1.014 |
245 |
2272 |
|
|
39 |
B2 |
1358 |
1389 |
1.023 |
245 |
2273 |
|
|
40 |
B2 |
1347 |
1379 |
1.024 |
245 |
2274 |
|
|
41 |
B2 |
1243 |
1269 |
1.021 |
245 |
2275 |
|
|
42 |
B2 |
1062 |
1073 |
1.011 |
245 |
2276 |
|
|
43 |
B2 |
1014 |
1024 |
1.010 |
245 |
2277 |
|
|
44 |
B2 |
912 |
910 |
0.998 |
245 |
2278 |
|
|
45 |
B2 |
379 |
406 |
1.070 |
245 |
2279 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
2970 |
2909 |
0.980 |
246 |
2280 |
|
|
2 |
A1 |
1385 |
1381 |
0.997 |
246 |
2281 |
|
|
3 |
A1 |
723 |
733 |
1.013 |
246 |
2282 |
|
|
4 |
A2 |
241 |
198 |
0.821 |
246 |
2283 |
|
|
5 |
E |
3043 |
2955 |
0.971 |
246 |
2284 |
|
|
6 |
E |
1442 |
1451 |
1.006 |
246 |
2285 |
|
|
7 |
E |
1058 |
999 |
0.944 |
246 |
2286 |
|
|
8 |
E |
324 |
335 |
1.033 |
246 |
2287 |
|
|
9 |
T1 |
3042 |
2975 |
0.978 |
246 |
2288 |
|
|
10 |
T1 |
1433 |
1461 |
1.019 |
246 |
2289 |
|
|
11 |
T1 |
930 |
932 |
1.002 |
246 |
2290 |
|
|
12 |
T1 |
308 |
203 |
0.659 |
246 |
2291 |
|
|
13 |
T2 |
3046 |
2959 |
0.972 |
246 |
2292 |
|
|
14 |
T2 |
2963 |
2876 |
0.971 |
246 |
2293 |
|
|
15 |
T2 |
1473 |
1475 |
1.001 |
246 |
2294 |
|
|
16 |
T2 |
1343 |
1372 |
1.021 |
246 |
2295 |
|
|
17 |
T2 |
1240 |
1256 |
1.013 |
246 |
2296 |
|
|
18 |
T2 |
918 |
925 |
1.008 |
246 |
2297 |
|
|
19 |
T2 |
406 |
418 |
1.029 |
246 |
2298 |
C5H11N |
Piperidine |
1 |
A' |
3444 |
3341 |
0.970 |
247 |
2299 |
|
|
2 |
A' |
3025 |
2947 |
0.974 |
247 |
2300 |
|
|
3 |
A' |
3009 |
2931 |
0.974 |
247 |
2301 |
|
|
4 |
A' |
2999 |
2917 |
0.973 |
247 |
2302 |
|
|
5 |
A' |
2969 |
2892 |
0.974 |
247 |
2303 |
|
|
6 |
A' |
2951 |
2850 |
0.966 |
247 |
2304 |
|
|
7 |
A' |
2822 |
2730 |
0.968 |
247 |
2305 |
|
|
8 |
A' |
1450 |
1476 |
1.018 |
247 |
2306 |
|
|
9 |
A' |
1437 |
1452 |
1.011 |
247 |
2307 |
|
|
10 |
A' |
1428 |
1444 |
1.011 |
247 |
2308 |
|
|
11 |
A' |
1374 |
1386 |
1.009 |
247 |
2309 |
|
|
12 |
A' |
1330 |
1365 |
1.026 |
247 |
2310 |
|
|
13 |
A' |
1273 |
1346 |
1.057 |
247 |
2311 |
|
|
14 |
A' |
1247 |
1266 |
1.015 |
247 |
2312 |
|
|
15 |
A' |
1127 |
1164 |
1.033 |
247 |
2313 |
|
|
16 |
A' |
1041 |
1035 |
0.995 |
247 |
2314 |
|
|
17 |
A' |
1025 |
1006 |
0.981 |
247 |
2315 |
|
|
18 |
A' |
899 |
906 |
1.007 |
247 |
2316 |
|
|
19 |
A' |
842 |
853 |
1.013 |
247 |
2317 |
|
|
20 |
A' |
815 |
822 |
1.008 |
247 |
2318 |
|
|
21 |
A' |
744 |
743 |
0.998 |
247 |
2319 |
|
|
22 |
A' |
521 |
546 |
1.048 |
247 |
2320 |
|
|
23 |
A' |
420 |
432 |
1.029 |
247 |
2321 |
|
|
24 |
A' |
383 |
404 |
1.054 |
247 |
2322 |
|
|
25 |
A' |
238 |
246 |
1.032 |
247 |
2323 |
|
|
26 |
A" |
3021 |
2940 |
0.973 |
247 |
2324 |
|
|
27 |
A" |
2998 |
2902 |
0.968 |
247 |
2325 |
|
|
28 |
A" |
2970 |
2850 |
0.960 |
247 |
2326 |
|
|
29 |
A" |
2815 |
2803 |
0.996 |
247 |
2327 |
|
|
30 |
A" |
1440 |
1468 |
1.020 |
247 |
2328 |
|
|
31 |
A" |
1434 |
1460 |
1.018 |
247 |
2329 |
|
|
32 |
A" |
1417 |
1436 |
1.014 |
247 |
2330 |
|
|
33 |
A" |
1330 |
1332 |
1.002 |
247 |
2331 |
|
|
34 |
A" |
1312 |
1318 |
1.005 |
247 |
2332 |
|
|
35 |
A" |
1295 |
1285 |
0.993 |
247 |
2333 |
|
|
36 |
A" |
1253 |
1258 |
1.004 |
247 |
2334 |
|
|
37 |
A" |
1154 |
1191 |
1.032 |
247 |
2335 |
|
|
38 |
A" |
1126 |
1146 |
1.018 |
247 |
2336 |
|
|
39 |
A" |
1107 |
1115 |
1.008 |
247 |
2337 |
|
|
40 |
A" |
1043 |
1052 |
1.009 |
247 |
2338 |
|
|
41 |
A" |
947 |
964 |
1.018 |
247 |
2339 |
|
|
42 |
A" |
869 |
874 |
1.006 |
247 |
2340 |
|
|
43 |
A" |
791 |
810 |
1.024 |
247 |
2341 |
|
|
44 |
A" |
435 |
445 |
1.022 |
247 |
2342 |
|
|
45 |
A" |
238 |
254 |
1.069 |
247 |
2343 |
C6H14 |
Hexane |
1 |
Ag |
3050 |
2966 |
0.973 |
248 |
2344 |
|
|
2 |
Ag |
2969 |
2877 |
0.969 |
248 |
2345 |
|
|
3 |
Ag |
2954 |
2863 |
0.969 |
248 |
2346 |
|
|
4 |
Ag |
2938 |
2852 |
0.971 |
248 |
2347 |
|
|
5 |
Ag |
1459 |
1460 |
1.001 |
248 |
2348 |
|
|
6 |
Ag |
1439 |
1460 |
1.015 |
248 |
2349 |
|
|
7 |
Ag |
1430 |
1440 |
1.007 |
248 |
2350 |
|
|
8 |
Ag |
1359 |
1397 |
1.028 |
248 |
2351 |
|
|
9 |
Ag |
1347 |
1366 |
1.014 |
248 |
2352 |
|
|
10 |
Ag |
1289 |
1305 |
1.012 |
248 |
2353 |
|
|
11 |
Ag |
1127 |
1140 |
1.011 |
248 |
2354 |
|
|
12 |
Ag |
1062 |
1065 |
1.003 |
248 |
2355 |
|
|
13 |
Ag |
1005 |
1007 |
1.002 |
248 |
2356 |
|
|
14 |
Ag |
880 |
901 |
1.024 |
248 |
2357 |
|
|
15 |
Ag |
357 |
371 |
1.039 |
248 |
2358 |
|
|
16 |
Ag |
283 |
305 |
1.076 |
248 |
2359 |
|
|
17 |
Au |
3044 |
2967 |
0.975 |
248 |
2360 |
|
|
18 |
Au |
3006 |
2936 |
0.977 |
248 |
2361 |
|
|
19 |
Au |
2978 |
2920 |
0.981 |
248 |
2362 |
|
|
20 |
Au |
1450 |
1460 |
1.007 |
248 |
2363 |
|
|
21 |
Au |
1291 |
1303 |
1.009 |
248 |
2364 |
|
|
22 |
Au |
1211 |
1222 |
1.009 |
248 |
2365 |
|
|
23 |
Au |
979 |
1010 |
1.031 |
248 |
2366 |
|
|
24 |
Au |
779 |
824 |
1.058 |
248 |
2367 |
|
|
25 |
Au |
711 |
726 |
1.020 |
248 |
2368 |
|
|
26 |
Au |
250 |
216 |
0.862 |
248 |
2369 |
|
|
27 |
Au |
103 |
94 |
0.914 |
248 |
2370 |
|
|
28 |
Au |
72 |
61 |
0.853 |
248 |
2371 |
|
|
29 |
Bg |
3043 |
2966 |
0.975 |
248 |
2372 |
|
|
30 |
Bg |
2994 |
2908 |
0.971 |
248 |
2373 |
|
|
31 |
Bg |
2965 |
2908 |
0.981 |
248 |
2374 |
|
|
32 |
Bg |
1450 |
1460 |
1.007 |
248 |
2375 |
|
|
33 |
Bg |
1287 |
1305 |
1.014 |
248 |
2376 |
|
|
34 |
Bg |
1264 |
1283 |
1.015 |
248 |
2377 |
|
|
35 |
Bg |
1167 |
1168 |
1.001 |
248 |
2378 |
|
|
36 |
Bg |
875 |
894 |
1.021 |
248 |
2379 |
|
|
37 |
Bg |
723 |
740 |
1.024 |
248 |
2380 |
|
|
38 |
Bg |
239 |
208 |
0.870 |
248 |
2381 |
|
|
39 |
Bg |
146 |
125 |
0.855 |
248 |
2382 |
|
|
40 |
Bu |
3050 |
2967 |
0.973 |
248 |
2383 |
|
|
41 |
Bu |
2968 |
2884 |
0.972 |
248 |
2384 |
|
|
42 |
Bu |
2958 |
2867 |
0.969 |
248 |
2385 |
|
|
43 |
Bu |
2943 |
2851 |
0.969 |
248 |
2386 |
|
|
44 |
Bu |
1463 |
1476 |
1.009 |
248 |
2387 |
|
|
45 |
Bu |
1449 |
1465 |
1.011 |
248 |
2388 |
|
|
46 |
Bu |
1431 |
1452 |
1.015 |
248 |
2389 |
|
|
47 |
Bu |
1356 |
1387 |
1.023 |
248 |
2390 |
|
|
48 |
Bu |
1336 |
1375 |
1.029 |
248 |
2391 |
|
|
49 |
Bu |
1224 |
1249 |
1.021 |
248 |
2392 |
|
|
50 |
Bu |
1056 |
1061 |
1.005 |
248 |
2393 |
|
|
51 |
Bu |
1032 |
1035 |
1.003 |
248 |
2394 |
|
|
52 |
Bu |
875 |
888 |
1.014 |
248 |
2395 |
|
|
53 |
Bu |
447 |
470 |
1.052 |
248 |
2396 |
|
|
54 |
Bu |
126 |
139 |
1.099 |
248 |
2397 |