H2 |
Hydrogen diatomic |
1 |
Σg |
4458 |
4161 |
0.933 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1339 |
1360 |
1.015 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
327 |
346 |
1.060 |
3 |
3 |
Na2 |
Sodium diatomic |
1 |
Σg |
148 |
158 |
1.066 |
4 |
4 |
BeH |
beryllium monohydride |
1 |
Σ |
1994 |
1987 |
0.996 |
5 |
5 |
MgH |
magnesium monohydride |
1 |
Σ |
1414 |
1432 |
1.013 |
6 |
6 |
BH |
Boron monohydride |
1 |
Σ |
2266 |
2269 |
1.001 |
7 |
7 |
AlH |
aluminum monohydride |
1 |
Σ |
1545 |
1625 |
1.052 |
8 |
8 |
CH |
Methylidyne |
1 |
Σ |
2738 |
2733 |
0.998 |
9 |
9 |
|
|
1 |
Σ |
3142 |
|
|
9 |
10 |
C2 |
Carbon diatomic |
1 |
Σg |
1768 |
1827 |
1.034 |
10 |
11 |
SiH |
Silylidyne |
1 |
Σ |
1916 |
1971 |
1.029 |
11 |
12 |
Si2 |
Silicon diatomic |
1 |
Σg |
418 |
507 |
1.214 |
12 |
13 |
NH |
Imidogen |
1 |
Σ |
3185 |
3126 |
0.982 |
13 |
14 |
CN |
Cyano radical |
1 |
Σ |
2385 |
2042 |
0.856 |
14 |
15 |
N2 |
Nitrogen diatomic |
1 |
Σg |
1802 |
2330 |
1.293 |
15 |
16 |
|
|
1 |
Σg |
1153 |
1733 |
1.503 |
15 |
17 |
SiN |
Silicon nitride |
1 |
Σ |
1120 |
1138 |
1.016 |
16 |
18 |
PH |
phosphorus monohydride |
1 |
Σ |
2242 |
2276 |
1.015 |
17 |
19 |
|
|
1 |
Σ |
2230 |
2319 |
1.040 |
17 |
20 |
CP |
Carbon monophosphide |
1 |
Σ |
947 |
1226 |
1.294 |
18 |
21 |
PN |
Phosphorus mononitride |
1 |
Σ |
816 |
1323 |
1.621 |
19 |
22 |
P2 |
Phosphorus diatomic |
1 |
Σg |
531 |
775 |
1.459 |
20 |
23 |
OH |
Hydroxyl radical |
1 |
Σ |
3546 |
3570 |
1.007 |
21 |
24 |
LiO |
lithium oxide |
1 |
Σ |
765 |
799 |
1.044 |
22 |
25 |
BeO |
beryllium oxide |
1 |
Σ |
1240 |
1435 |
1.157 |
23 |
26 |
BO |
boron monoxide |
1 |
Σ |
1827 |
1862 |
1.019 |
24 |
27 |
CO |
Carbon monoxide |
1 |
Σ |
1852 |
2143 |
1.157 |
25 |
28 |
|
|
1 |
Σ |
1844 |
|
|
25 |
29 |
NaO |
sodium monoxide |
1 |
Σ |
450 |
|
|
26 |
30 |
MgO |
magnesium oxide |
1 |
Σ |
990 |
775 |
0.783 |
27 |
31 |
SiO |
Silicon monoxide |
1 |
Σ |
978 |
1230 |
1.257 |
28 |
32 |
HS |
Mercapto radical |
1 |
Σ |
2514 |
2599 |
1.034 |
29 |
33 |
BeS |
beryllium sulfide |
1 |
Σ |
927 |
986 |
1.063 |
30 |
34 |
BS |
boron sulfide |
1 |
Σ |
1062 |
1167 |
1.099 |
31 |
35 |
CS |
carbon monosulfide |
1 |
Σ |
1125 |
1272 |
1.131 |
32 |
36 |
SO |
Sulfur monoxide |
1 |
Σ |
1326 |
1138 |
0.858 |
33 |
37 |
|
|
1 |
Σ |
590 |
1054 |
1.788 |
33 |
38 |
MgS |
magnesium sulfide |
1 |
Σ |
505 |
523 |
1.035 |
34 |
39 |
AlS |
Aluminum sulfide |
1 |
Σ |
626 |
610 |
0.975 |
35 |
40 |
SiS |
silicon monosulfide |
1 |
Σ |
624 |
744 |
1.193 |
36 |
41 |
S2 |
Sulfur diatomic |
1 |
Σg |
515 |
720 |
1.397 |
37 |
42 |
HF |
Hydrogen fluoride |
1 |
Σ |
3845 |
3961 |
1.030 |
38 |
43 |
LiF |
lithium fluoride |
1 |
Σ |
866 |
896 |
1.035 |
39 |
44 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1084 |
|
|
40 |
45 |
CF |
Fluoromethylidyne |
1 |
Σ |
1053 |
1286 |
1.221 |
41 |
46 |
NF |
nitrogen fluoride |
1 |
Σ |
1257 |
1123 |
0.893 |
42 |
47 |
F2 |
Fluorine diatomic |
1 |
Σg |
861 |
894 |
1.038 |
43 |
48 |
NaF |
sodium fluoride |
1 |
Σ |
494 |
529 |
1.070 |
44 |
49 |
AlF |
Aluminum monofluoride |
1 |
Σ |
666 |
793 |
1.191 |
45 |
50 |
SiF |
silicon monofluoride |
1 |
Σ |
690 |
848 |
1.229 |
46 |
51 |
PF |
phosphorus monofluoride |
1 |
Σ |
697 |
838 |
1.202 |
47 |
52 |
SF |
Monosulfur monofluoride |
1 |
Σ |
982 |
829 |
0.844 |
48 |
53 |
HCl |
Hydrogen chloride |
1 |
Σ |
2744 |
2886 |
1.052 |
49 |
54 |
LiCl |
lithium chloride |
1 |
Σ |
570 |
634 |
1.112 |
50 |
55 |
BeCl |
beryllium monochloride |
1 |
Σ |
752 |
847 |
1.126 |
51 |
56 |
BCl |
boron monochloride |
1 |
Σ |
689 |
829 |
1.203 |
52 |
57 |
CCl |
carbon monochloride |
1 |
Σ |
734 |
866 |
1.179 |
53 |
58 |
ClO |
Monochlorine monoxide |
1 |
Σ |
1283 |
843 |
0.657 |
54 |
59 |
NaCl |
Sodium Chloride |
1 |
Σ |
321 |
361 |
1.124 |
55 |
60 |
MgCl |
magnesium monochloride |
1 |
Σ |
395 |
|
|
56 |
61 |
AlCl |
Aluminum monochloride |
1 |
Σ |
385 |
478 |
1.241 |
57 |
62 |
SiCl |
Clorosilylidyne |
1 |
Σ |
430 |
531 |
1.235 |
58 |
63 |
PCl |
phosphorus chloride |
1 |
Σ |
478 |
547 |
1.144 |
59 |
64 |
SCl |
sulfur monochloride |
1 |
Σ |
701 |
577 |
0.823 |
60 |
65 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
447 |
554 |
1.239 |
61 |
66 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2211 |
2159 |
0.976 |
62 |
67 |
|
|
3 |
Πu |
800 |
698 |
0.872 |
62 |
68 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1572 |
1572 |
1.000 |
63 |
69 |
|
|
3 |
Πu |
513 |
440 |
0.857 |
63 |
70 |
BH2 |
boron dihydride |
2 |
A1 |
1006 |
954 |
0.948 |
64 |
71 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1783 |
1770 |
0.993 |
65 |
72 |
|
|
2 |
A1 |
743 |
760 |
1.022 |
65 |
73 |
|
|
3 |
B2 |
1827 |
1807 |
0.989 |
65 |
74 |
SiH2 |
silicon dihydride |
1 |
A1 |
1955 |
1996 |
1.021 |
66 |
75 |
|
|
2 |
A1 |
1018 |
999 |
0.981 |
66 |
76 |
|
|
3 |
B2 |
1977 |
1993 |
1.008 |
66 |
77 |
NH2 |
Amino radical |
1 |
A1 |
3260 |
3219 |
0.987 |
67 |
78 |
|
|
2 |
A1 |
1529 |
1497 |
0.979 |
67 |
79 |
|
|
3 |
B2 |
3414 |
3301 |
0.967 |
67 |
80 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3390 |
3312 |
0.977 |
68 |
81 |
|
|
2 |
Σ |
1822 |
2089 |
1.147 |
68 |
82 |
|
|
3 |
Π |
711 |
712 |
1.001 |
68 |
83 |
PH2 |
Phosphino radical |
1 |
A1 |
2262 |
2310 |
1.021 |
69 |
84 |
|
|
2 |
A1 |
1118 |
1102 |
0.986 |
69 |
85 |
HCP |
Phosphaethyne |
1 |
Σ |
3255 |
3217 |
0.988 |
70 |
86 |
|
|
2 |
Σ |
1105 |
1278 |
1.157 |
70 |
87 |
|
|
3 |
Π |
592 |
674 |
1.140 |
70 |
88 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2091 |
2095 |
1.002 |
71 |
89 |
|
|
2 |
A' |
931 |
1188 |
1.276 |
71 |
90 |
|
|
3 |
A' |
803 |
986 |
1.228 |
71 |
91 |
H2O |
Water |
1 |
A1 |
3626 |
3657 |
1.009 |
72 |
92 |
|
|
2 |
A1 |
1616 |
1595 |
0.987 |
72 |
93 |
|
|
3 |
B2 |
3817 |
3756 |
0.984 |
72 |
94 |
HBO |
Boron hydride oxide |
1 |
Σ |
2889 |
2850 |
0.987 |
73 |
95 |
|
|
2 |
Σ |
1685 |
1826 |
1.083 |
73 |
96 |
|
|
3 |
Π |
775 |
756 |
0.976 |
73 |
97 |
HCO |
Formyl radical |
1 |
A' |
3439 |
2434 |
0.708 |
74 |
98 |
|
|
2 |
A' |
2286 |
1868 |
0.817 |
74 |
99 |
|
|
3 |
A' |
953 |
1081 |
1.134 |
74 |
100 |
HNO |
Nitrosyl hydride |
1 |
A' |
2977 |
2684 |
0.902 |
75 |
101 |
|
|
2 |
A' |
1485 |
1565 |
1.054 |
75 |
102 |
|
|
3 |
A' |
1205 |
1501 |
1.245 |
75 |
103 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3482 |
3436 |
0.987 |
76 |
104 |
|
|
2 |
A' |
1457 |
1392 |
0.955 |
76 |
105 |
|
|
3 |
A' |
1392 |
1098 |
0.789 |
76 |
106 |
CO2 |
Carbon dioxide |
1 |
Σg |
1185 |
1333 |
1.124 |
77 |
107 |
|
|
2 |
Σu |
2227 |
2349 |
1.055 |
77 |
108 |
|
|
3 |
Πu |
553 |
667 |
1.205 |
77 |
109 |
N2O |
Nitrous oxide |
1 |
Σ |
1937 |
2224 |
1.148 |
78 |
110 |
|
|
2 |
Σ |
1054 |
1285 |
1.219 |
78 |
111 |
|
|
3 |
Π |
381 |
589 |
1.546 |
78 |
112 |
NaOH |
sodium hydroxide |
1 |
Σ |
3790 |
3637 |
0.960 |
79 |
113 |
|
|
2 |
Σ |
552 |
540 |
0.978 |
79 |
114 |
|
|
3 |
Π |
394 |
300 |
0.762 |
79 |
115 |
SiO2 |
silicon dioxide |
2 |
Σu |
1356 |
1416 |
1.044 |
80 |
116 |
|
|
3 |
Πu |
209 |
273 |
1.302 |
80 |
117 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2521 |
2615 |
1.037 |
81 |
118 |
|
|
2 |
A1 |
1187 |
1183 |
0.996 |
81 |
119 |
|
|
3 |
B2 |
2569 |
2626 |
1.022 |
81 |
120 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2795 |
2736 |
0.979 |
82 |
121 |
|
|
2 |
Σ |
1105 |
1172 |
1.061 |
82 |
122 |
OCS |
Carbonyl sulfide |
1 |
Σ |
1893 |
2062 |
1.089 |
83 |
123 |
|
|
2 |
Σ |
786 |
859 |
1.093 |
83 |
124 |
|
|
3 |
Π |
431 |
520 |
1.205 |
83 |
125 |
SO2 |
Sulfur dioxide |
1 |
A1 |
943 |
1151 |
1.221 |
84 |
126 |
|
|
2 |
A1 |
387 |
518 |
1.337 |
84 |
127 |
|
|
3 |
B2 |
1543 |
1362 |
0.883 |
84 |
128 |
CS2 |
Carbon disulfide |
1 |
Σg |
597 |
658 |
1.102 |
85 |
129 |
|
|
2 |
Σu |
1469 |
1535 |
1.045 |
85 |
130 |
|
|
3 |
Πu |
298 |
397 |
1.332 |
85 |
131 |
SSO |
Disulfur monoxide |
1 |
A' |
1436 |
1166 |
0.813 |
86 |
132 |
|
|
2 |
A' |
612 |
679 |
1.109 |
86 |
133 |
|
|
3 |
A' |
303 |
380 |
1.252 |
86 |
134 |
HCF |
Fluoromethylene |
1 |
A' |
2774 |
2643 |
0.953 |
87 |
135 |
|
|
2 |
A' |
1383 |
1403 |
1.014 |
87 |
136 |
|
|
3 |
A' |
1009 |
1189 |
1.179 |
87 |
137 |
HOF |
Hypofluorous acid |
1 |
A' |
3497 |
3578 |
1.023 |
88 |
138 |
|
|
2 |
A' |
1284 |
1362 |
1.062 |
88 |
139 |
|
|
3 |
A' |
866 |
893 |
1.031 |
88 |
140 |
CF2 |
Difluoromethylene |
1 |
A1 |
1042 |
1225 |
1.176 |
89 |
141 |
|
|
2 |
A1 |
560 |
667 |
1.190 |
89 |
142 |
|
|
3 |
B2 |
928 |
1114 |
1.201 |
89 |
143 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1578 |
1844 |
1.168 |
90 |
144 |
|
|
2 |
A' |
635 |
766 |
1.206 |
90 |
145 |
|
|
3 |
A' |
411 |
520 |
1.265 |
90 |
146 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1435 |
1075 |
0.749 |
91 |
147 |
|
|
2 |
A1 |
539 |
573 |
1.064 |
91 |
148 |
|
|
3 |
B2 |
1372 |
942 |
0.687 |
91 |
149 |
F2O |
Difluorine monoxide |
1 |
A1 |
809 |
928 |
1.147 |
92 |
150 |
|
|
2 |
A1 |
381 |
461 |
1.209 |
92 |
151 |
|
|
3 |
B2 |
787 |
831 |
1.056 |
92 |
152 |
HOCl |
hypochlorous acid |
1 |
A' |
3506 |
3609 |
1.029 |
93 |
153 |
|
|
2 |
A' |
1205 |
1239 |
1.028 |
93 |
154 |
|
|
3 |
A' |
650 |
724 |
1.115 |
93 |
155 |
ClCN |
chlorocyanogen |
1 |
Σ |
1934 |
2216 |
1.146 |
94 |
156 |
|
|
2 |
Σ |
639 |
744 |
1.165 |
94 |
157 |
|
|
3 |
Π |
312 |
378 |
1.211 |
94 |
158 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1551 |
1800 |
1.160 |
95 |
159 |
|
|
2 |
A' |
485 |
596 |
1.230 |
95 |
160 |
|
|
3 |
A' |
274 |
332 |
1.212 |
95 |
161 |
OClO |
Chlorine dioxide |
1 |
A1 |
785 |
946 |
1.204 |
96 |
162 |
|
|
2 |
A1 |
327 |
448 |
1.367 |
96 |
163 |
|
|
3 |
B2 |
638 |
1110 |
1.740 |
96 |
164 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
518 |
639 |
1.232 |
97 |
165 |
|
|
2 |
A1 |
243 |
296 |
1.219 |
97 |
166 |
|
|
3 |
B2 |
610 |
686 |
1.124 |
97 |
167 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
434 |
522 |
1.203 |
98 |
168 |
|
|
2 |
A1 |
157 |
201 |
1.280 |
98 |
169 |
|
|
3 |
B2 |
432 |
509 |
1.180 |
98 |
170 |
ClS2 |
Sulfur chloride |
1 |
A' |
1108 |
662 |
0.598 |
99 |
171 |
|
|
2 |
A' |
476 |
450 |
0.946 |
99 |
172 |
|
|
3 |
A' |
182 |
196 |
1.076 |
99 |
173 |
BH3 |
boron trihydride |
2 |
A2" |
1165 |
1148 |
0.985 |
100 |
174 |
|
|
3 |
E' |
2667 |
2602 |
0.976 |
100 |
175 |
|
|
4 |
E' |
1188 |
1197 |
1.007 |
100 |
176 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1868 |
1900 |
1.017 |
101 |
177 |
|
|
2 |
A2" |
711 |
698 |
0.981 |
101 |
178 |
|
|
3 |
E' |
1891 |
1883 |
0.996 |
101 |
179 |
|
|
4 |
E' |
761 |
783 |
1.030 |
101 |
180 |
C2H2 |
Acetylene |
1 |
Σg |
3454 |
3374 |
0.977 |
102 |
181 |
|
|
2 |
Σg |
1865 |
1974 |
1.058 |
102 |
182 |
|
|
3 |
Σu |
3360 |
3289 |
0.979 |
102 |
183 |
|
|
4 |
Πg |
330 |
612 |
1.857 |
102 |
184 |
|
|
5 |
Πu |
739 |
730 |
0.987 |
102 |
185 |
SiH3 |
Silyl radical |
1 |
A1 |
2150 |
2136 |
0.994 |
103 |
186 |
|
|
2 |
A1 |
750 |
728 |
0.971 |
103 |
187 |
|
|
3 |
E |
2203 |
2185 |
0.992 |
103 |
188 |
|
|
4 |
E |
919 |
922 |
1.003 |
103 |
189 |
NH3 |
Ammonia |
1 |
A1 |
3469 |
3337 |
0.962 |
104 |
190 |
|
|
2 |
A1 |
779 |
950 |
1.220 |
104 |
191 |
|
|
3 |
E |
3683 |
3444 |
0.935 |
104 |
192 |
|
|
4 |
E |
1727 |
1627 |
0.942 |
104 |
193 |
C2N2 |
Cyanogen |
1 |
Σg |
2084 |
2330 |
1.118 |
105 |
194 |
|
|
2 |
Σg |
786 |
846 |
1.076 |
105 |
195 |
|
|
3 |
Σu |
1841 |
2158 |
1.172 |
105 |
196 |
|
|
4 |
Πg |
495 |
503 |
1.017 |
105 |
197 |
|
|
5 |
Πu |
216 |
234 |
1.081 |
105 |
198 |
PH3 |
Phosphine |
1 |
A1 |
2285 |
2323 |
1.017 |
106 |
199 |
|
|
2 |
A1 |
1035 |
992 |
0.958 |
106 |
200 |
|
|
3 |
E |
2332 |
2328 |
0.998 |
106 |
201 |
|
|
4 |
E |
1124 |
1118 |
0.995 |
106 |
202 |
P4 |
Phosphorus tetramer |
1 |
A1 |
455 |
601 |
1.320 |
107 |
203 |
|
|
2 |
E |
266 |
361 |
1.358 |
107 |
204 |
|
|
3 |
T2 |
344 |
467 |
1.359 |
107 |
205 |
H2CO |
Formaldehyde |
1 |
A1 |
2946 |
2782 |
0.944 |
108 |
206 |
|
|
2 |
A1 |
1626 |
1746 |
1.074 |
108 |
207 |
|
|
3 |
A1 |
1477 |
1500 |
1.016 |
108 |
208 |
|
|
4 |
B1 |
1176 |
1167 |
0.993 |
108 |
209 |
|
|
5 |
B2 |
3053 |
2843 |
0.931 |
108 |
210 |
|
|
6 |
B2 |
1252 |
1249 |
0.998 |
108 |
211 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3565 |
3599 |
1.009 |
109 |
212 |
|
|
2 |
A |
1436 |
1402 |
0.976 |
109 |
213 |
|
|
3 |
A |
810 |
877 |
1.083 |
109 |
214 |
|
|
4 |
A |
104 |
371 |
3.562 |
109 |
215 |
|
|
5 |
B |
3580 |
3608 |
1.008 |
109 |
216 |
|
|
6 |
B |
1116 |
1266 |
1.134 |
109 |
217 |
HNCO |
Isocyanic acid |
1 |
A' |
3684 |
3538 |
0.960 |
110 |
218 |
|
|
2 |
A' |
2199 |
2269 |
1.032 |
110 |
219 |
|
|
3 |
A' |
1198 |
1327 |
1.108 |
110 |
220 |
|
|
4 |
A' |
669 |
777 |
1.160 |
110 |
221 |
|
|
5 |
A' |
541 |
577 |
1.068 |
110 |
222 |
|
|
6 |
A" |
556 |
656 |
1.181 |
110 |
223 |
B2O2 |
Diboron dioxide |
1 |
Σg |
1946 |
2060 |
1.059 |
111 |
224 |
|
|
2 |
Σg |
603 |
585 |
0.970 |
111 |
225 |
|
|
3 |
Σu |
1742 |
1898 |
1.089 |
111 |
226 |
|
|
4 |
Πg |
493 |
410 |
0.832 |
111 |
227 |
|
|
5 |
Πu |
209 |
213 |
1.021 |
111 |
228 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3052 |
2971 |
0.973 |
112 |
229 |
|
|
2 |
A1 |
1519 |
1456 |
0.958 |
112 |
230 |
|
|
3 |
A1 |
1001 |
1059 |
1.058 |
112 |
231 |
|
|
4 |
B1 |
1039 |
990 |
0.953 |
112 |
232 |
|
|
5 |
B2 |
3177 |
3025 |
0.952 |
112 |
233 |
|
|
6 |
B2 |
1044 |
991 |
0.949 |
112 |
234 |
H2S2 |
Disulfane |
1 |
A |
2497 |
2556 |
1.024 |
113 |
235 |
|
|
2 |
A |
813 |
882 |
1.084 |
113 |
236 |
|
|
3 |
A |
432 |
515 |
1.192 |
113 |
237 |
|
|
4 |
A |
334 |
417 |
1.249 |
113 |
238 |
|
|
5 |
B |
2498 |
2559 |
1.024 |
113 |
239 |
|
|
6 |
B |
800 |
878 |
1.097 |
113 |
240 |
SO3 |
Sulfur trioxide |
1 |
A1' |
853 |
1065 |
1.249 |
114 |
241 |
|
|
2 |
A2" |
295 |
498 |
1.689 |
114 |
242 |
|
|
3 |
E' |
1290 |
1391 |
1.078 |
114 |
243 |
|
|
4 |
E' |
352 |
530 |
1.504 |
114 |
244 |
BHF2 |
Difluoroborane |
1 |
A1 |
2750 |
2621 |
0.953 |
115 |
245 |
|
|
2 |
A1 |
1036 |
1164 |
1.124 |
115 |
246 |
|
|
3 |
A1 |
487 |
542 |
1.113 |
115 |
247 |
|
|
4 |
B1 |
909 |
924 |
1.015 |
115 |
248 |
|
|
5 |
B2 |
1271 |
1402 |
1.103 |
115 |
249 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1755 |
1928 |
1.099 |
116 |
250 |
|
|
2 |
A1 |
808 |
965 |
1.194 |
116 |
251 |
|
|
3 |
A1 |
493 |
584 |
1.184 |
116 |
252 |
|
|
4 |
B1 |
646 |
774 |
1.198 |
116 |
253 |
|
|
5 |
B2 |
1042 |
1249 |
1.199 |
116 |
254 |
|
|
6 |
B2 |
533 |
626 |
1.174 |
116 |
255 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
786 |
888 |
1.130 |
117 |
256 |
|
|
2 |
A2" |
642 |
691 |
1.076 |
117 |
257 |
|
|
3 |
E' |
1329 |
1449 |
1.090 |
117 |
258 |
|
|
4 |
E' |
431 |
480 |
1.113 |
117 |
259 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1128 |
1523 |
1.350 |
118 |
260 |
|
|
2 |
Ag |
850 |
1018 |
1.198 |
118 |
261 |
|
|
3 |
Ag |
501 |
603 |
1.204 |
118 |
262 |
|
|
4 |
Au |
299 |
364 |
1.217 |
118 |
263 |
|
|
5 |
Bu |
871 |
991 |
1.138 |
118 |
264 |
|
|
6 |
Bu |
351 |
423 |
1.204 |
118 |
265 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
955 |
1089 |
1.141 |
119 |
266 |
|
|
2 |
A1 |
611 |
701 |
1.148 |
119 |
267 |
|
|
3 |
E |
1114 |
1260 |
1.131 |
119 |
268 |
|
|
4 |
E |
434 |
509 |
1.171 |
119 |
269 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
875 |
1032 |
1.180 |
120 |
270 |
|
|
2 |
A1 |
537 |
647 |
1.204 |
120 |
271 |
|
|
3 |
E |
806 |
907 |
1.126 |
120 |
272 |
|
|
4 |
E |
397 |
492 |
1.240 |
120 |
273 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
605 |
690 |
1.141 |
121 |
274 |
|
|
2 |
A2" |
279 |
297 |
1.065 |
121 |
275 |
|
|
3 |
E' |
862 |
935 |
1.084 |
121 |
276 |
|
|
4 |
E' |
238 |
263 |
1.106 |
121 |
277 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
728 |
892 |
1.225 |
122 |
278 |
|
|
2 |
A1 |
349 |
487 |
1.397 |
122 |
279 |
|
|
3 |
E |
715 |
860 |
1.203 |
122 |
280 |
|
|
4 |
E |
255 |
344 |
1.347 |
122 |
281 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2711 |
2617 |
0.965 |
123 |
282 |
|
|
2 |
A1 |
676 |
740 |
1.095 |
123 |
283 |
|
|
4 |
B1 |
768 |
784 |
1.021 |
123 |
284 |
|
|
5 |
B2 |
1089 |
1089 |
1.000 |
123 |
285 |
|
|
6 |
B2 |
854 |
892 |
1.044 |
123 |
286 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1155 |
1267 |
1.097 |
124 |
287 |
|
|
2 |
A1 |
687 |
793 |
1.154 |
124 |
288 |
|
|
3 |
A1 |
297 |
364 |
1.226 |
124 |
289 |
|
|
4 |
B1 |
562 |
652 |
1.160 |
124 |
290 |
|
|
5 |
B2 |
1882 |
1684 |
0.895 |
124 |
291 |
|
|
6 |
B2 |
350 |
408 |
1.166 |
124 |
292 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
630 |
752 |
1.193 |
125 |
293 |
|
|
2 |
A1 |
320 |
529 |
1.651 |
125 |
294 |
|
|
3 |
A1 |
119 |
328 |
2.750 |
125 |
295 |
|
|
4 |
B1 |
201 |
328 |
1.633 |
125 |
296 |
|
|
5 |
B2 |
665 |
702 |
1.055 |
125 |
297 |
|
|
6 |
B2 |
255 |
442 |
1.736 |
125 |
298 |
CCl2O |
Phosgene |
1 |
A1 |
1622 |
1827 |
1.126 |
126 |
299 |
|
|
2 |
A1 |
491 |
567 |
1.155 |
126 |
300 |
|
|
3 |
A1 |
277 |
285 |
1.031 |
126 |
301 |
|
|
4 |
B1 |
515 |
580 |
1.126 |
126 |
302 |
|
|
5 |
B2 |
755 |
849 |
1.124 |
126 |
303 |
|
|
6 |
B2 |
406 |
440 |
1.083 |
126 |
304 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
741 |
820 |
1.107 |
127 |
305 |
|
|
2 |
A1 |
445 |
500 |
1.122 |
127 |
306 |
|
|
3 |
A1 |
217 |
250 |
1.152 |
127 |
307 |
|
|
4 |
B1 |
243 |
260 |
1.070 |
127 |
308 |
|
|
5 |
B2 |
850 |
900 |
1.059 |
127 |
309 |
|
|
6 |
B2 |
171 |
200 |
1.170 |
127 |
310 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
428 |
471 |
1.100 |
128 |
311 |
|
|
2 |
A2" |
426 |
460 |
1.081 |
128 |
312 |
|
|
3 |
E' |
896 |
956 |
1.067 |
128 |
313 |
|
|
4 |
E' |
249 |
243 |
0.977 |
128 |
314 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
787 |
850 |
1.080 |
129 |
315 |
|
|
2 |
A1 |
374 |
450 |
1.204 |
129 |
316 |
|
|
3 |
A1 |
137 |
150 |
1.091 |
129 |
317 |
|
|
4 |
B1 |
210 |
220 |
1.046 |
129 |
318 |
|
|
5 |
B2 |
570 |
610 |
1.070 |
129 |
319 |
|
|
6 |
B2 |
183 |
200 |
1.090 |
129 |
320 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
326 |
375 |
1.149 |
130 |
321 |
|
|
2 |
A2" |
182 |
183 |
1.006 |
130 |
322 |
|
|
3 |
E' |
550 |
595 |
1.082 |
130 |
323 |
|
|
4 |
E' |
131 |
150 |
1.144 |
130 |
324 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
415 |
504 |
1.215 |
131 |
325 |
|
|
2 |
A1 |
198 |
252 |
1.273 |
131 |
326 |
|
|
3 |
E |
424 |
482 |
1.137 |
131 |
327 |
|
|
4 |
E |
141 |
198 |
1.404 |
131 |
328 |
CH4 |
Methane |
1 |
A1 |
2960 |
2917 |
0.985 |
132 |
329 |
|
|
2 |
E |
1560 |
1534 |
0.983 |
132 |
330 |
|
|
3 |
T2 |
3118 |
3019 |
0.968 |
132 |
331 |
|
|
4 |
T2 |
1404 |
1306 |
0.930 |
132 |
332 |
SiH4 |
Silane |
1 |
A1 |
2172 |
2187 |
1.007 |
133 |
333 |
|
|
2 |
E |
952 |
975 |
1.024 |
133 |
334 |
|
|
3 |
T2 |
2204 |
2191 |
0.994 |
133 |
335 |
|
|
4 |
T2 |
903 |
914 |
1.013 |
133 |
336 |
CH2NH |
Methanimine |
1 |
A' |
3312 |
3263 |
0.985 |
134 |
337 |
|
|
2 |
A' |
3165 |
3024 |
0.955 |
134 |
338 |
|
|
3 |
A' |
3013 |
2914 |
0.967 |
134 |
339 |
|
|
4 |
A' |
1614 |
1638 |
1.015 |
134 |
340 |
|
|
5 |
A' |
1450 |
1452 |
1.001 |
134 |
341 |
|
|
6 |
A' |
1353 |
1344 |
0.994 |
134 |
342 |
|
|
7 |
A' |
1072 |
1058 |
0.987 |
134 |
343 |
|
|
8 |
A" |
1171 |
1127 |
0.962 |
134 |
344 |
|
|
9 |
A" |
1084 |
1061 |
0.979 |
134 |
345 |
CH2CO |
Ketene |
1 |
A1 |
3142 |
3070 |
0.977 |
135 |
346 |
|
|
2 |
A1 |
2031 |
2152 |
1.060 |
135 |
347 |
|
|
3 |
A1 |
1429 |
1388 |
0.971 |
135 |
348 |
|
|
4 |
A1 |
1078 |
1118 |
1.037 |
135 |
349 |
|
|
5 |
B1 |
624 |
588 |
0.942 |
135 |
350 |
|
|
6 |
B1 |
456 |
528 |
1.157 |
135 |
351 |
|
|
7 |
B2 |
3265 |
3166 |
0.970 |
135 |
352 |
|
|
8 |
B2 |
1033 |
977 |
0.945 |
135 |
353 |
|
|
9 |
B2 |
411 |
433 |
1.053 |
135 |
354 |
HCOOH |
Formic acid |
1 |
A' |
3576 |
3570 |
0.998 |
136 |
355 |
|
|
2 |
A' |
3134 |
2943 |
0.939 |
136 |
356 |
|
|
3 |
A' |
1610 |
1770 |
1.099 |
136 |
357 |
|
|
4 |
A' |
1394 |
1387 |
0.995 |
136 |
358 |
|
|
5 |
A' |
1249 |
1229 |
0.984 |
136 |
359 |
|
|
6 |
A' |
1014 |
1105 |
1.089 |
136 |
360 |
|
|
7 |
A' |
565 |
625 |
1.105 |
136 |
361 |
|
|
8 |
A" |
1009 |
1033 |
1.023 |
136 |
362 |
|
|
9 |
A" |
656 |
638 |
0.973 |
136 |
363 |
HNO3 |
Nitric acid |
1 |
A' |
3499 |
3550 |
1.015 |
137 |
364 |
|
|
2 |
A' |
1839 |
1708 |
0.929 |
137 |
365 |
|
|
3 |
A' |
1318 |
1331 |
1.010 |
137 |
366 |
|
|
4 |
A' |
1193 |
1325 |
1.110 |
137 |
367 |
|
|
5 |
A' |
798 |
879 |
1.102 |
137 |
368 |
|
|
6 |
A' |
586 |
647 |
1.105 |
137 |
369 |
|
|
7 |
A' |
509 |
579 |
1.138 |
137 |
370 |
|
|
8 |
A" |
659 |
762 |
1.157 |
137 |
371 |
|
|
9 |
A" |
415 |
456 |
1.099 |
137 |
372 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2066 |
2196 |
1.063 |
138 |
373 |
|
|
2 |
Σg |
712 |
786 |
1.104 |
138 |
374 |
|
|
3 |
Σu |
2341 |
2258 |
0.965 |
138 |
375 |
|
|
4 |
Σu |
1462 |
1573 |
1.076 |
138 |
376 |
|
|
5 |
Πg |
509 |
573 |
1.126 |
138 |
377 |
|
|
6 |
Πu |
491 |
550 |
1.120 |
138 |
378 |
|
|
7 |
Πu |
98 |
61 |
0.623 |
138 |
379 |
CH3F |
Methyl fluoride |
1 |
A1 |
3011 |
2930 |
0.973 |
139 |
380 |
|
|
2 |
A1 |
1489 |
1464 |
0.983 |
139 |
381 |
|
|
3 |
A1 |
949 |
1049 |
1.106 |
139 |
382 |
|
|
4 |
E |
3154 |
3006 |
0.953 |
139 |
383 |
|
|
5 |
E |
1519 |
1467 |
0.966 |
139 |
384 |
|
|
6 |
E |
1146 |
1182 |
1.032 |
139 |
385 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3086 |
2948 |
0.955 |
140 |
386 |
|
|
2 |
A1 |
1529 |
1508 |
0.986 |
140 |
387 |
|
|
3 |
A1 |
996 |
1111 |
1.115 |
140 |
388 |
|
|
4 |
A1 |
452 |
529 |
1.170 |
140 |
389 |
|
|
5 |
A2 |
1217 |
1262 |
1.037 |
140 |
390 |
|
|
6 |
B1 |
3214 |
3014 |
0.938 |
140 |
391 |
|
|
7 |
B1 |
1129 |
1178 |
1.044 |
140 |
392 |
|
|
8 |
B2 |
1442 |
1435 |
0.995 |
140 |
393 |
|
|
9 |
B2 |
987 |
1090 |
1.104 |
140 |
394 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3191 |
3036 |
0.952 |
141 |
395 |
|
|
2 |
A1 |
1014 |
1117 |
1.102 |
141 |
396 |
|
|
3 |
A1 |
603 |
700 |
1.161 |
141 |
397 |
|
|
4 |
E |
1347 |
1372 |
1.019 |
141 |
398 |
|
|
5 |
E |
1043 |
1152 |
1.105 |
141 |
399 |
|
|
6 |
E |
436 |
507 |
1.162 |
141 |
400 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
770 |
909 |
1.179 |
142 |
401 |
|
|
2 |
E |
369 |
435 |
1.178 |
142 |
402 |
|
|
3 |
T2 |
1138 |
1283 |
1.128 |
142 |
403 |
|
|
4 |
T2 |
539 |
631 |
1.172 |
142 |
404 |
SiH3F |
monofluorosilane |
1 |
A1 |
2213 |
2206 |
0.997 |
143 |
405 |
|
|
2 |
A1 |
968 |
990 |
1.023 |
143 |
406 |
|
|
3 |
A1 |
725 |
872 |
1.202 |
143 |
407 |
|
|
4 |
E |
2250 |
2196 |
0.976 |
143 |
408 |
|
|
5 |
E |
940 |
956 |
1.017 |
143 |
409 |
|
|
6 |
E |
683 |
728 |
1.066 |
143 |
410 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
638 |
800 |
1.254 |
144 |
411 |
|
|
2 |
E |
207 |
268 |
1.294 |
144 |
412 |
|
|
3 |
T2 |
891 |
1032 |
1.158 |
144 |
413 |
|
|
4 |
T2 |
316 |
389 |
1.232 |
144 |
414 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1195 |
1417 |
1.186 |
145 |
415 |
|
|
2 |
A1 |
653 |
873 |
1.336 |
145 |
416 |
|
|
3 |
A1 |
346 |
472 |
1.364 |
145 |
417 |
|
|
4 |
E |
766 |
991 |
1.293 |
145 |
418 |
|
|
5 |
E |
332 |
482 |
1.451 |
145 |
419 |
|
|
6 |
E |
230 |
336 |
1.458 |
145 |
420 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3028 |
2966 |
0.980 |
146 |
421 |
|
|
2 |
A1 |
1423 |
1355 |
0.952 |
146 |
422 |
|
|
3 |
A1 |
676 |
732 |
1.083 |
146 |
423 |
|
|
4 |
E |
3174 |
3042 |
0.958 |
146 |
424 |
|
|
5 |
E |
1490 |
1455 |
0.976 |
146 |
425 |
|
|
6 |
E |
1032 |
1015 |
0.984 |
146 |
426 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2204 |
2201 |
0.998 |
147 |
427 |
|
|
2 |
A1 |
917 |
949 |
1.035 |
147 |
428 |
|
|
3 |
A1 |
463 |
551 |
1.190 |
147 |
429 |
|
|
4 |
E |
2247 |
2195 |
0.977 |
147 |
430 |
|
|
5 |
E |
923 |
954 |
1.033 |
147 |
431 |
|
|
6 |
E |
619 |
664 |
1.072 |
147 |
432 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3095 |
2999 |
0.969 |
148 |
433 |
|
|
2 |
A1 |
1446 |
1467 |
1.015 |
148 |
434 |
|
|
3 |
A1 |
655 |
717 |
1.094 |
148 |
435 |
|
|
4 |
A1 |
264 |
282 |
1.067 |
148 |
436 |
|
|
5 |
A2 |
1169 |
1153 |
0.986 |
148 |
437 |
|
|
6 |
B1 |
3213 |
3040 |
0.946 |
148 |
438 |
|
|
7 |
B1 |
886 |
898 |
1.013 |
148 |
439 |
|
|
8 |
B2 |
1332 |
1268 |
0.952 |
148 |
440 |
|
|
9 |
B2 |
710 |
758 |
1.068 |
148 |
441 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1017 |
1105 |
1.086 |
149 |
442 |
|
|
2 |
A1 |
671 |
781 |
1.164 |
149 |
443 |
|
|
3 |
A1 |
430 |
476 |
1.108 |
149 |
444 |
|
|
4 |
E |
1064 |
1212 |
1.139 |
149 |
445 |
|
|
5 |
E |
480 |
563 |
1.172 |
149 |
446 |
|
|
6 |
E |
308 |
350 |
1.137 |
149 |
447 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2235 |
2224 |
0.995 |
150 |
448 |
|
|
2 |
A1 |
900 |
954 |
1.060 |
150 |
449 |
|
|
3 |
A1 |
444 |
527 |
1.186 |
150 |
450 |
|
|
4 |
A1 |
157 |
188 |
1.197 |
150 |
451 |
|
|
5 |
A2 |
665 |
710 |
1.067 |
150 |
452 |
|
|
6 |
B1 |
2280 |
2237 |
0.981 |
150 |
453 |
|
|
7 |
B1 |
547 |
602 |
1.100 |
150 |
454 |
|
|
8 |
B2 |
838 |
876 |
1.046 |
150 |
455 |
|
|
9 |
B2 |
505 |
590 |
1.167 |
150 |
456 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
858 |
1061 |
1.236 |
151 |
457 |
|
|
2 |
A1 |
353 |
715 |
2.026 |
151 |
458 |
|
|
3 |
A1 |
156 |
549 |
3.515 |
151 |
459 |
|
|
4 |
E |
811 |
1315 |
1.621 |
151 |
460 |
|
|
5 |
E |
332 |
589 |
1.774 |
151 |
461 |
|
|
6 |
E |
158 |
405 |
2.555 |
151 |
462 |
CHCl3 |
Chloroform |
1 |
A1 |
3161 |
3034 |
0.960 |
152 |
463 |
|
|
2 |
A1 |
615 |
680 |
1.106 |
152 |
464 |
|
|
3 |
A1 |
337 |
366 |
1.087 |
152 |
465 |
|
|
4 |
E |
1230 |
1220 |
0.991 |
152 |
466 |
|
|
5 |
E |
723 |
774 |
1.071 |
152 |
467 |
|
|
6 |
E |
246 |
260 |
1.057 |
152 |
468 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
978 |
1101 |
1.126 |
153 |
469 |
|
|
2 |
A1 |
574 |
667 |
1.162 |
153 |
470 |
|
|
3 |
A1 |
406 |
458 |
1.129 |
153 |
471 |
|
|
4 |
A1 |
244 |
262 |
1.075 |
153 |
472 |
|
|
5 |
A2 |
290 |
322 |
1.111 |
153 |
473 |
|
|
6 |
B1 |
864 |
902 |
1.044 |
153 |
474 |
|
|
7 |
B1 |
396 |
437 |
1.103 |
153 |
475 |
|
|
8 |
B2 |
1008 |
1159 |
1.150 |
153 |
476 |
|
|
9 |
B2 |
386 |
446 |
1.156 |
153 |
477 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
944 |
1085 |
1.149 |
154 |
478 |
|
|
2 |
A1 |
471 |
535 |
1.137 |
154 |
479 |
|
|
3 |
A1 |
325 |
350 |
1.076 |
154 |
480 |
|
|
4 |
E |
794 |
847 |
1.067 |
154 |
481 |
|
|
5 |
E |
361 |
394 |
1.090 |
154 |
482 |
|
|
6 |
E |
230 |
241 |
1.048 |
154 |
483 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1023 |
1205 |
1.178 |
155 |
484 |
|
|
2 |
A1 |
407 |
577 |
1.418 |
155 |
485 |
|
|
3 |
A1 |
215 |
408 |
1.902 |
155 |
486 |
|
|
4 |
A1 |
112 |
218 |
1.943 |
155 |
487 |
|
|
5 |
A2 |
162 |
282 |
1.742 |
155 |
488 |
|
|
6 |
B1 |
384 |
586 |
1.527 |
155 |
489 |
|
|
7 |
B1 |
212 |
388 |
1.832 |
155 |
490 |
|
|
8 |
B2 |
1166 |
1434 |
1.230 |
155 |
491 |
|
|
9 |
B2 |
216 |
362 |
1.672 |
155 |
492 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2266 |
2261 |
0.998 |
156 |
493 |
|
|
2 |
A1 |
414 |
499 |
1.207 |
156 |
494 |
|
|
3 |
A1 |
211 |
254 |
1.202 |
156 |
495 |
|
|
4 |
E |
742 |
811 |
1.094 |
156 |
496 |
|
|
5 |
E |
516 |
600 |
1.162 |
156 |
497 |
|
|
6 |
E |
145 |
176 |
1.212 |
156 |
498 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
411 |
459 |
1.117 |
157 |
499 |
|
|
2 |
E |
207 |
217 |
1.047 |
157 |
500 |
|
|
3 |
T2 |
731 |
776 |
1.062 |
157 |
501 |
|
|
4 |
T2 |
296 |
314 |
1.062 |
157 |
502 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1137 |
1322 |
1.163 |
158 |
503 |
|
|
2 |
A1 |
353 |
481 |
1.361 |
158 |
504 |
|
|
3 |
A1 |
194 |
266 |
1.375 |
158 |
505 |
|
|
4 |
E |
450 |
590 |
1.310 |
158 |
506 |
|
|
5 |
E |
247 |
333 |
1.349 |
158 |
507 |
|
|
6 |
E |
131 |
187 |
1.427 |
158 |
508 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
342 |
424 |
1.241 |
159 |
509 |
|
|
2 |
E |
120 |
150 |
1.251 |
159 |
510 |
|
|
3 |
T2 |
534 |
621 |
1.162 |
159 |
511 |
|
|
4 |
T2 |
184 |
221 |
1.203 |
159 |
512 |
C2H4 |
Ethylene |
1 |
Ag |
3107 |
3026 |
0.974 |
160 |
513 |
|
|
2 |
Ag |
1627 |
1623 |
0.997 |
160 |
514 |
|
|
3 |
Ag |
1363 |
1342 |
0.985 |
160 |
515 |
|
|
4 |
Au |
1034 |
1023 |
0.989 |
160 |
516 |
|
|
5 |
B1u |
3081 |
2989 |
0.970 |
160 |
517 |
|
|
6 |
B1u |
1498 |
1444 |
0.964 |
160 |
518 |
|
|
7 |
B2g |
782 |
940 |
1.201 |
160 |
519 |
|
|
8 |
B2u |
3215 |
3105 |
0.966 |
160 |
520 |
|
|
9 |
B2u |
832 |
826 |
0.993 |
160 |
521 |
|
|
10 |
B3g |
3184 |
3086 |
0.969 |
160 |
522 |
|
|
11 |
B3g |
1245 |
1217 |
0.977 |
160 |
523 |
|
|
12 |
B3u |
953 |
949 |
0.997 |
160 |
524 |
C3H3 |
Propargyl radical |
1 |
A1 |
3488 |
3322 |
0.953 |
161 |
525 |
|
|
6 |
B1 |
705 |
687 |
0.974 |
161 |
526 |
|
|
7 |
B1 |
586 |
490 |
0.836 |
161 |
527 |
N2H4 |
Hydrazine |
1 |
A |
3598 |
3398 |
0.944 |
162 |
528 |
|
|
2 |
A |
3437 |
3329 |
0.968 |
162 |
529 |
|
|
3 |
A |
1753 |
1642 |
0.937 |
162 |
530 |
|
|
4 |
A |
1311 |
1275 |
0.973 |
162 |
531 |
|
|
5 |
A |
1120 |
1076 |
0.960 |
162 |
532 |
|
|
6 |
A |
755 |
780 |
1.033 |
162 |
533 |
|
|
7 |
A |
518 |
377 |
0.727 |
162 |
534 |
|
|
8 |
B |
3602 |
3350 |
0.930 |
162 |
535 |
|
|
9 |
B |
3436 |
3314 |
0.965 |
162 |
536 |
|
|
10 |
B |
1725 |
1628 |
0.944 |
162 |
537 |
|
|
11 |
B |
1279 |
1275 |
0.997 |
162 |
538 |
|
|
12 |
B |
910 |
966 |
1.062 |
162 |
539 |
CH3CN |
Acetonitrile |
1 |
A1 |
3002 |
2954 |
0.984 |
163 |
540 |
|
|
2 |
A1 |
2031 |
2267 |
1.116 |
163 |
541 |
|
|
3 |
A1 |
1466 |
1385 |
0.945 |
163 |
542 |
|
|
4 |
A1 |
880 |
920 |
1.046 |
163 |
543 |
|
|
5 |
E |
3112 |
3009 |
0.967 |
163 |
544 |
|
|
6 |
E |
1509 |
1448 |
0.960 |
163 |
545 |
|
|
7 |
E |
1090 |
1041 |
0.955 |
163 |
546 |
|
|
8 |
E |
323 |
362 |
1.119 |
163 |
547 |
CH3OH |
Methyl alcohol |
1 |
A' |
3645 |
3681 |
1.010 |
164 |
548 |
|
|
2 |
A' |
3141 |
3000 |
0.955 |
164 |
549 |
|
|
3 |
A' |
2968 |
2844 |
0.958 |
164 |
550 |
|
|
4 |
A' |
1529 |
1477 |
0.966 |
164 |
551 |
|
|
5 |
A' |
1495 |
1455 |
0.973 |
164 |
552 |
|
|
6 |
A' |
1349 |
1345 |
0.997 |
164 |
553 |
|
|
7 |
A' |
1045 |
1060 |
1.014 |
164 |
554 |
|
|
8 |
A' |
968 |
1033 |
1.068 |
164 |
555 |
|
|
9 |
A" |
3064 |
2960 |
0.966 |
164 |
556 |
|
|
10 |
A" |
1517 |
1477 |
0.974 |
164 |
557 |
|
|
11 |
A" |
1142 |
1165 |
1.020 |
164 |
558 |
|
|
12 |
A" |
350 |
200 |
0.572 |
164 |
559 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3014 |
2843 |
0.943 |
165 |
560 |
|
|
2 |
Ag |
1553 |
1745 |
1.124 |
165 |
561 |
|
|
3 |
Ag |
1356 |
1338 |
0.987 |
165 |
562 |
|
|
4 |
Ag |
1076 |
1065 |
0.990 |
165 |
563 |
|
|
5 |
Ag |
544 |
551 |
1.013 |
165 |
564 |
|
|
6 |
Au |
800 |
801 |
1.002 |
165 |
565 |
|
|
7 |
Au |
141 |
127 |
0.898 |
165 |
566 |
|
|
8 |
Bg |
1014 |
1048 |
1.033 |
165 |
567 |
|
|
9 |
Bu |
3015 |
2835 |
0.940 |
165 |
568 |
|
|
10 |
Bu |
1504 |
1732 |
1.152 |
165 |
569 |
|
|
11 |
Bu |
1340 |
1312 |
0.979 |
165 |
570 |
|
|
12 |
Bu |
328 |
339 |
1.033 |
165 |
571 |
CH3SH |
Methanethiol |
1 |
A' |
3142 |
3000 |
0.955 |
166 |
572 |
|
|
2 |
A' |
3009 |
2931 |
0.974 |
166 |
573 |
|
|
3 |
A' |
2520 |
2597 |
1.030 |
166 |
574 |
|
|
4 |
A' |
1493 |
1475 |
0.988 |
166 |
575 |
|
|
5 |
A' |
1414 |
1335 |
0.944 |
166 |
576 |
|
|
6 |
A' |
1093 |
1074 |
0.983 |
166 |
577 |
|
|
7 |
A' |
768 |
803 |
1.045 |
166 |
578 |
|
|
8 |
A' |
671 |
708 |
1.055 |
166 |
579 |
|
|
9 |
A" |
3135 |
3000 |
0.957 |
166 |
580 |
|
|
10 |
A" |
1481 |
1430 |
0.965 |
166 |
581 |
|
|
11 |
A" |
996 |
976 |
0.980 |
166 |
582 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3253 |
3115 |
0.958 |
167 |
583 |
|
|
2 |
A' |
3207 |
3080 |
0.960 |
167 |
584 |
|
|
3 |
A' |
3129 |
3052 |
0.975 |
167 |
585 |
|
|
4 |
A' |
1624 |
1654 |
1.018 |
167 |
586 |
|
|
5 |
A' |
1419 |
1380 |
0.972 |
167 |
587 |
|
|
6 |
A' |
1308 |
1306 |
0.999 |
167 |
588 |
|
|
7 |
A' |
1107 |
1156 |
1.044 |
167 |
589 |
|
|
8 |
A' |
870 |
929 |
1.068 |
167 |
590 |
|
|
9 |
A' |
448 |
483 |
1.077 |
167 |
591 |
|
|
10 |
A" |
927 |
940 |
1.014 |
167 |
592 |
|
|
11 |
A" |
801 |
863 |
1.077 |
167 |
593 |
|
|
12 |
A" |
678 |
711 |
1.048 |
167 |
594 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3161 |
3070 |
0.971 |
168 |
595 |
|
|
2 |
A1 |
1679 |
1728 |
1.029 |
168 |
596 |
|
|
3 |
A1 |
1434 |
1360 |
0.948 |
168 |
597 |
|
|
4 |
A1 |
819 |
926 |
1.131 |
168 |
598 |
|
|
5 |
A1 |
472 |
550 |
1.165 |
168 |
599 |
|
|
6 |
A2 |
714 |
714 |
1.000 |
168 |
600 |
|
|
7 |
B1 |
812 |
803 |
0.989 |
168 |
601 |
|
|
8 |
B1 |
516 |
611 |
1.185 |
168 |
602 |
|
|
9 |
B2 |
3290 |
3154 |
0.959 |
168 |
603 |
|
|
10 |
B2 |
1221 |
1302 |
1.067 |
168 |
604 |
|
|
11 |
B2 |
934 |
955 |
1.022 |
168 |
605 |
|
|
12 |
B2 |
403 |
438 |
1.087 |
168 |
606 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2009 |
2275 |
1.132 |
169 |
607 |
|
|
2 |
A1 |
1166 |
1227 |
1.052 |
169 |
608 |
|
|
3 |
A1 |
704 |
802 |
1.139 |
169 |
609 |
|
|
4 |
A1 |
474 |
522 |
1.100 |
169 |
610 |
|
|
5 |
E |
1060 |
1214 |
1.145 |
169 |
611 |
|
|
6 |
E |
570 |
618 |
1.083 |
169 |
612 |
|
|
7 |
E |
404 |
463 |
1.145 |
169 |
613 |
|
|
8 |
E |
174 |
196 |
1.127 |
169 |
614 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1792 |
1872 |
1.044 |
170 |
615 |
|
|
2 |
Ag |
686 |
778 |
1.134 |
170 |
616 |
|
|
3 |
Ag |
351 |
394 |
1.124 |
170 |
617 |
|
|
4 |
Au |
182 |
190 |
1.042 |
170 |
618 |
|
|
5 |
B1u |
1062 |
1186 |
1.117 |
170 |
619 |
|
|
6 |
B1u |
480 |
558 |
1.161 |
170 |
620 |
|
|
7 |
B2g |
422 |
508 |
1.203 |
170 |
621 |
|
|
8 |
B2u |
1202 |
1337 |
1.113 |
170 |
622 |
|
|
9 |
B2u |
198 |
218 |
1.103 |
170 |
623 |
|
|
10 |
B3g |
1207 |
1340 |
1.110 |
170 |
624 |
|
|
11 |
B3g |
508 |
551 |
1.085 |
170 |
625 |
|
|
12 |
B3u |
360 |
406 |
1.127 |
170 |
626 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
600 |
816 |
1.359 |
171 |
627 |
|
|
2 |
A1' |
564 |
648 |
1.149 |
171 |
628 |
|
|
3 |
A2" |
844 |
947 |
1.122 |
171 |
629 |
|
|
4 |
A2" |
422 |
575 |
1.363 |
171 |
630 |
|
|
5 |
E' |
826 |
1024 |
1.240 |
171 |
631 |
|
|
6 |
E' |
388 |
533 |
1.375 |
171 |
632 |
|
|
7 |
E' |
122 |
174 |
1.431 |
171 |
633 |
|
|
8 |
E" |
367 |
520 |
1.415 |
171 |
634 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3476 |
3602 |
1.036 |
172 |
635 |
|
|
2 |
A |
1169 |
1486 |
1.271 |
172 |
636 |
|
|
3 |
A |
1086 |
1243 |
1.144 |
172 |
637 |
|
|
4 |
A |
985 |
1150 |
1.168 |
172 |
638 |
|
|
5 |
A |
619 |
896 |
1.447 |
172 |
639 |
|
|
6 |
A |
553 |
823 |
1.489 |
172 |
640 |
|
|
7 |
A |
362 |
562 |
1.553 |
172 |
641 |
|
|
8 |
A |
333 |
551 |
1.652 |
172 |
642 |
|
|
9 |
A |
323 |
518 |
1.606 |
172 |
643 |
|
|
10 |
A |
277 |
409 |
1.476 |
172 |
644 |
|
|
11 |
A |
215 |
390 |
1.813 |
172 |
645 |
|
|
12 |
A |
117 |
266 |
2.277 |
172 |
646 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3228 |
3121 |
0.967 |
173 |
647 |
|
|
2 |
A' |
3192 |
3086 |
0.967 |
173 |
648 |
|
|
3 |
A' |
3108 |
3030 |
0.975 |
173 |
649 |
|
|
4 |
A' |
1594 |
1608 |
1.009 |
173 |
650 |
|
|
5 |
A' |
1417 |
1368 |
0.965 |
173 |
651 |
|
|
6 |
A' |
1304 |
1279 |
0.981 |
173 |
652 |
|
|
7 |
A' |
1045 |
1030 |
0.986 |
173 |
653 |
|
|
8 |
A' |
664 |
720 |
1.085 |
173 |
654 |
|
|
9 |
A' |
378 |
395 |
1.046 |
173 |
655 |
|
|
10 |
A" |
953 |
941 |
0.988 |
173 |
656 |
|
|
11 |
A" |
812 |
896 |
1.103 |
173 |
657 |
|
|
12 |
A" |
585 |
620 |
1.060 |
173 |
658 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3123 |
3035 |
0.972 |
174 |
659 |
|
|
2 |
A1 |
1593 |
1627 |
1.021 |
174 |
660 |
|
|
3 |
A1 |
1430 |
1400 |
0.979 |
174 |
661 |
|
|
4 |
A1 |
544 |
603 |
1.109 |
174 |
662 |
|
|
5 |
A1 |
281 |
299 |
1.065 |
174 |
663 |
|
|
6 |
A2 |
676 |
686 |
1.015 |
174 |
664 |
|
|
7 |
B1 |
804 |
875 |
1.089 |
174 |
665 |
|
|
8 |
B1 |
412 |
460 |
1.117 |
174 |
666 |
|
|
9 |
B2 |
3244 |
3130 |
0.965 |
174 |
667 |
|
|
10 |
B2 |
1115 |
1095 |
0.982 |
174 |
668 |
|
|
11 |
B2 |
752 |
800 |
1.064 |
174 |
669 |
|
|
12 |
B2 |
359 |
372 |
1.036 |
174 |
670 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3206 |
3077 |
0.960 |
175 |
671 |
|
|
2 |
A1 |
1579 |
1587 |
1.005 |
175 |
672 |
|
|
3 |
A1 |
1214 |
1179 |
0.971 |
175 |
673 |
|
|
4 |
A1 |
650 |
711 |
1.093 |
175 |
674 |
|
|
5 |
A1 |
159 |
173 |
1.091 |
175 |
675 |
|
|
6 |
A2 |
839 |
876 |
1.044 |
175 |
676 |
|
|
7 |
A2 |
366 |
406 |
1.110 |
175 |
677 |
|
|
8 |
B1 |
707 |
697 |
0.986 |
175 |
678 |
|
|
9 |
B2 |
3178 |
3072 |
0.967 |
175 |
679 |
|
|
10 |
B2 |
1322 |
1303 |
0.986 |
175 |
680 |
|
|
11 |
B2 |
812 |
857 |
1.056 |
175 |
681 |
|
|
12 |
B2 |
535 |
571 |
1.068 |
175 |
682 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3208 |
3073 |
0.958 |
176 |
683 |
|
|
2 |
Ag |
1569 |
1578 |
1.006 |
176 |
684 |
|
|
3 |
Ag |
1304 |
1274 |
0.977 |
176 |
685 |
|
|
4 |
Ag |
799 |
846 |
1.058 |
176 |
686 |
|
|
5 |
Ag |
323 |
350 |
1.084 |
176 |
687 |
|
|
6 |
Au |
915 |
900 |
0.983 |
176 |
688 |
|
|
7 |
Au |
198 |
227 |
1.147 |
176 |
689 |
|
|
8 |
Bg |
673 |
763 |
1.133 |
176 |
690 |
|
|
9 |
Bu |
3201 |
3090 |
0.965 |
176 |
691 |
|
|
10 |
Bu |
1229 |
1200 |
0.977 |
176 |
692 |
|
|
11 |
Bu |
759 |
828 |
1.091 |
176 |
693 |
|
|
12 |
Bu |
221 |
250 |
1.132 |
176 |
694 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3203 |
3082 |
0.962 |
177 |
695 |
|
|
2 |
A' |
1577 |
1586 |
1.006 |
177 |
696 |
|
|
3 |
A' |
1284 |
1247 |
0.971 |
177 |
697 |
|
|
4 |
A' |
887 |
931 |
1.050 |
177 |
698 |
|
|
5 |
A' |
779 |
840 |
1.078 |
177 |
699 |
|
|
6 |
A' |
577 |
630 |
1.092 |
177 |
700 |
|
|
7 |
A' |
356 |
384 |
1.078 |
177 |
701 |
|
|
8 |
A' |
259 |
277 |
1.070 |
177 |
702 |
|
|
9 |
A' |
161 |
178 |
1.105 |
177 |
703 |
|
|
10 |
A" |
755 |
780 |
1.033 |
177 |
704 |
|
|
11 |
A" |
411 |
451 |
1.099 |
177 |
705 |
|
|
12 |
A" |
189 |
215 |
1.136 |
177 |
706 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1134 |
1122 |
0.990 |
178 |
707 |
|
|
2 |
A1 |
374 |
401 |
1.072 |
178 |
708 |
|
|
3 |
A1 |
169 |
176 |
1.043 |
178 |
709 |
|
|
5 |
B2 |
675 |
728 |
1.079 |
178 |
710 |
|
|
6 |
B2 |
283 |
289 |
1.023 |
178 |
711 |
|
|
7 |
E |
864 |
917 |
1.061 |
178 |
712 |
|
|
8 |
E |
482 |
512 |
1.063 |
178 |
713 |
|
|
9 |
E |
100 |
104 |
1.035 |
178 |
714 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1562 |
1571 |
1.006 |
179 |
715 |
|
|
2 |
Ag |
402 |
447 |
1.111 |
179 |
716 |
|
|
3 |
Ag |
224 |
237 |
1.056 |
179 |
717 |
|
|
4 |
Au |
89 |
110 |
1.239 |
179 |
718 |
|
|
5 |
B1u |
712 |
777 |
1.091 |
179 |
719 |
|
|
6 |
B1u |
299 |
310 |
1.037 |
179 |
720 |
|
|
7 |
B2g |
460 |
512 |
1.112 |
179 |
721 |
|
|
8 |
B2u |
848 |
908 |
1.070 |
179 |
722 |
|
|
9 |
B2u |
167 |
176 |
1.055 |
179 |
723 |
|
|
10 |
B3g |
938 |
1000 |
1.066 |
179 |
724 |
|
|
11 |
B3g |
325 |
347 |
1.067 |
179 |
725 |
|
|
12 |
B3u |
277 |
288 |
1.039 |
179 |
726 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
301 |
394 |
1.311 |
180 |
727 |
|
|
2 |
A1' |
245 |
264 |
1.079 |
180 |
728 |
|
|
3 |
A2" |
381 |
465 |
1.220 |
180 |
729 |
|
|
4 |
A2" |
230 |
299 |
1.302 |
180 |
730 |
|
|
5 |
E' |
457 |
592 |
1.295 |
180 |
731 |
|
|
6 |
E' |
199 |
273 |
1.375 |
180 |
732 |
|
|
7 |
E' |
63 |
100 |
1.592 |
180 |
733 |
|
|
8 |
E" |
195 |
282 |
1.446 |
180 |
734 |
CH2CCH2 |
allene |
1 |
A1 |
3092 |
3015 |
0.975 |
181 |
735 |
|
|
2 |
A1 |
1504 |
1443 |
0.960 |
181 |
736 |
|
|
3 |
A1 |
1043 |
1073 |
1.029 |
181 |
737 |
|
|
4 |
B1 |
898 |
865 |
0.964 |
181 |
738 |
|
|
5 |
B2 |
3094 |
3007 |
0.972 |
181 |
739 |
|
|
6 |
B2 |
1946 |
1957 |
1.006 |
181 |
740 |
|
|
7 |
B2 |
1477 |
1398 |
0.947 |
181 |
741 |
|
|
8 |
E |
3194 |
3086 |
0.966 |
181 |
742 |
|
|
9 |
E |
1059 |
999 |
0.943 |
181 |
743 |
|
|
10 |
E |
899 |
841 |
0.935 |
181 |
744 |
|
|
11 |
E |
358 |
355 |
0.992 |
181 |
745 |
C3H4 |
cyclopropene |
1 |
A1 |
3259 |
3158 |
0.969 |
182 |
746 |
|
|
2 |
A1 |
3041 |
2909 |
0.957 |
182 |
747 |
|
|
3 |
A1 |
1595 |
1653 |
1.036 |
182 |
748 |
|
|
4 |
A1 |
1514 |
1483 |
0.980 |
182 |
749 |
|
|
5 |
A1 |
1116 |
1110 |
0.995 |
182 |
750 |
|
|
6 |
A1 |
930 |
905 |
0.973 |
182 |
751 |
|
|
7 |
A2 |
1005 |
996 |
0.991 |
182 |
752 |
|
|
8 |
A2 |
754 |
820 |
1.088 |
182 |
753 |
|
|
9 |
B1 |
3145 |
2995 |
0.952 |
182 |
754 |
|
|
10 |
B1 |
1101 |
1088 |
0.988 |
182 |
755 |
|
|
11 |
B1 |
533 |
569 |
1.068 |
182 |
756 |
|
|
12 |
B2 |
3209 |
3124 |
0.974 |
182 |
757 |
|
|
13 |
B2 |
1109 |
1043 |
0.941 |
182 |
758 |
|
|
14 |
B2 |
1048 |
1011 |
0.964 |
182 |
759 |
|
|
15 |
B2 |
713 |
769 |
1.079 |
182 |
760 |
CH3NH2 |
methyl amine |
1 |
A' |
3472 |
3361 |
0.968 |
183 |
761 |
|
|
2 |
A' |
3044 |
2961 |
0.973 |
183 |
762 |
|
|
3 |
A' |
2928 |
2820 |
0.963 |
183 |
763 |
|
|
4 |
A' |
1727 |
1623 |
0.940 |
183 |
764 |
|
|
5 |
A' |
1520 |
1473 |
0.969 |
183 |
765 |
|
|
6 |
A' |
1489 |
1430 |
0.960 |
183 |
766 |
|
|
7 |
A' |
1167 |
1130 |
0.968 |
183 |
767 |
|
|
8 |
A' |
1054 |
1044 |
0.990 |
183 |
768 |
|
|
9 |
A' |
745 |
780 |
1.046 |
183 |
769 |
|
|
10 |
A" |
3606 |
3427 |
0.950 |
183 |
770 |
|
|
11 |
A" |
3097 |
2985 |
0.964 |
183 |
771 |
|
|
12 |
A" |
1545 |
1485 |
0.961 |
183 |
772 |
|
|
13 |
A" |
1358 |
1335 |
0.983 |
183 |
773 |
|
|
14 |
A" |
965 |
|
|
183 |
774 |
|
|
15 |
A" |
313 |
268 |
0.855 |
183 |
775 |
C3H3N |
acrylonitrile |
1 |
A' |
3225 |
3125 |
0.969 |
184 |
776 |
|
|
2 |
A' |
3155 |
3078 |
0.976 |
184 |
777 |
|
|
3 |
A' |
3107 |
3042 |
0.979 |
184 |
778 |
|
|
4 |
A' |
2008 |
2239 |
1.115 |
184 |
779 |
|
|
5 |
A' |
1612 |
1615 |
1.002 |
184 |
780 |
|
|
6 |
A' |
1455 |
1416 |
0.973 |
184 |
781 |
|
|
7 |
A' |
1328 |
1282 |
0.965 |
184 |
782 |
|
|
8 |
A' |
1113 |
1096 |
0.985 |
184 |
783 |
|
|
9 |
A' |
841 |
869 |
1.033 |
184 |
784 |
|
|
10 |
A' |
546 |
570 |
1.043 |
184 |
785 |
|
|
11 |
A' |
219 |
242 |
1.103 |
184 |
786 |
|
|
12 |
A" |
977 |
972 |
0.995 |
184 |
787 |
|
|
13 |
A" |
879 |
954 |
1.085 |
184 |
788 |
|
|
14 |
A" |
677 |
683 |
1.009 |
184 |
789 |
|
|
15 |
A" |
305 |
362 |
1.186 |
184 |
790 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3025 |
2935 |
0.970 |
185 |
791 |
|
|
2 |
A1 |
2015 |
2275 |
1.129 |
185 |
792 |
|
|
3 |
A1 |
1499 |
1395 |
0.931 |
185 |
793 |
|
|
4 |
A1 |
858 |
890 |
1.037 |
185 |
794 |
|
|
5 |
A1 |
543 |
582 |
1.072 |
185 |
795 |
|
|
6 |
A1 |
134 |
167 |
1.246 |
185 |
796 |
|
|
7 |
A2 |
1243 |
1220 |
0.981 |
185 |
797 |
|
|
8 |
A2 |
317 |
367 |
1.160 |
185 |
798 |
|
|
9 |
B1 |
3090 |
2968 |
0.961 |
185 |
799 |
|
|
10 |
B1 |
977 |
933 |
0.955 |
185 |
800 |
|
|
11 |
B1 |
295 |
337 |
1.142 |
185 |
801 |
|
|
12 |
B2 |
2025 |
2275 |
1.124 |
185 |
802 |
|
|
13 |
B2 |
1377 |
1318 |
0.957 |
185 |
803 |
|
|
14 |
B2 |
946 |
982 |
1.038 |
185 |
804 |
|
|
15 |
B2 |
325 |
366 |
1.126 |
185 |
805 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3637 |
3447 |
0.948 |
186 |
806 |
|
|
2 |
A' |
3264 |
3102 |
0.950 |
186 |
807 |
|
|
3 |
A' |
1447 |
1441 |
0.996 |
186 |
808 |
|
|
4 |
A' |
1372 |
1384 |
1.008 |
186 |
809 |
|
|
5 |
A' |
1167 |
1259 |
1.078 |
186 |
810 |
|
|
6 |
A' |
1138 |
1159 |
1.019 |
186 |
811 |
|
|
7 |
A' |
1006 |
1084 |
1.078 |
186 |
812 |
|
|
8 |
A' |
972 |
1015 |
1.044 |
186 |
813 |
|
|
9 |
A' |
963 |
1002 |
1.040 |
186 |
814 |
|
|
10 |
A' |
885 |
969 |
1.095 |
186 |
815 |
|
|
11 |
A' |
816 |
925 |
1.133 |
186 |
816 |
|
|
12 |
A" |
749 |
906 |
1.209 |
186 |
817 |
|
|
13 |
A" |
713 |
663 |
0.930 |
186 |
818 |
|
|
14 |
A" |
659 |
658 |
0.999 |
186 |
819 |
|
|
15 |
A" |
620 |
578 |
0.933 |
186 |
820 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3114 |
3014 |
0.968 |
187 |
821 |
|
|
2 |
A' |
2975 |
2923 |
0.983 |
187 |
822 |
|
|
3 |
A' |
2951 |
2716 |
0.920 |
187 |
823 |
|
|
4 |
A' |
1593 |
1743 |
1.094 |
187 |
824 |
|
|
5 |
A' |
1501 |
1433 |
0.955 |
187 |
825 |
|
|
6 |
A' |
1442 |
1395 |
0.968 |
187 |
826 |
|
|
7 |
A' |
1414 |
1352 |
0.956 |
187 |
827 |
|
|
8 |
A' |
1152 |
1114 |
0.967 |
187 |
828 |
|
|
9 |
A' |
900 |
867 |
0.963 |
187 |
829 |
|
|
10 |
A' |
495 |
509 |
1.029 |
187 |
830 |
|
|
11 |
A" |
3070 |
2964 |
0.966 |
187 |
831 |
|
|
12 |
A" |
1496 |
1431 |
0.957 |
187 |
832 |
|
|
13 |
A" |
1142 |
1102 |
0.965 |
187 |
833 |
|
|
14 |
A" |
787 |
764 |
0.971 |
187 |
834 |
|
|
15 |
A" |
152 |
150 |
0.988 |
187 |
835 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3101 |
3006 |
0.969 |
188 |
836 |
|
|
2 |
A1 |
1529 |
1467 |
0.959 |
188 |
837 |
|
|
3 |
A1 |
1249 |
1267 |
1.015 |
188 |
838 |
|
|
4 |
A1 |
1139 |
1146 |
1.006 |
188 |
839 |
|
|
5 |
A1 |
792 |
857 |
1.082 |
188 |
840 |
|
|
6 |
A2 |
3208 |
3063 |
0.955 |
188 |
841 |
|
|
7 |
A2 |
1201 |
1050 |
0.874 |
188 |
842 |
|
|
8 |
A2 |
999 |
1020 |
1.021 |
188 |
843 |
|
|
9 |
B1 |
3225 |
3065 |
0.950 |
188 |
844 |
|
|
10 |
B1 |
1089 |
1146 |
1.052 |
188 |
845 |
|
|
11 |
B1 |
825 |
797 |
0.966 |
188 |
846 |
|
|
12 |
B2 |
3087 |
3006 |
0.974 |
188 |
847 |
|
|
13 |
B2 |
1514 |
1459 |
0.964 |
188 |
848 |
|
|
14 |
B2 |
1130 |
1159 |
1.026 |
188 |
849 |
|
|
15 |
B2 |
693 |
824 |
1.189 |
188 |
850 |
H2SO4 |
Sulfuric acid |
1 |
A |
3473 |
3563 |
1.026 |
189 |
851 |
|
|
2 |
A |
1096 |
1216 |
1.110 |
189 |
852 |
|
|
3 |
A |
927 |
1136 |
1.225 |
189 |
853 |
|
|
4 |
A |
575 |
831 |
1.446 |
189 |
854 |
|
|
5 |
A |
360 |
548 |
1.524 |
189 |
855 |
|
|
6 |
A |
346 |
422 |
1.219 |
189 |
856 |
|
|
7 |
A |
243 |
379 |
1.559 |
189 |
857 |
|
|
8 |
A |
174 |
224 |
1.285 |
189 |
858 |
|
|
9 |
B |
3471 |
3567 |
1.028 |
189 |
859 |
|
|
10 |
B |
1162 |
1452 |
1.250 |
189 |
860 |
|
|
11 |
B |
1000 |
1157 |
1.157 |
189 |
861 |
|
|
12 |
B |
613 |
882 |
1.438 |
189 |
862 |
|
|
13 |
B |
340 |
558 |
1.640 |
189 |
863 |
|
|
14 |
B |
326 |
506 |
1.553 |
189 |
864 |
|
|
15 |
B |
221 |
288 |
1.304 |
189 |
865 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3148 |
3043 |
0.967 |
190 |
866 |
|
|
2 |
A' |
3012 |
2955 |
0.981 |
190 |
867 |
|
|
3 |
A' |
1731 |
1870 |
1.080 |
190 |
868 |
|
|
4 |
A' |
1510 |
1440 |
0.954 |
190 |
869 |
|
|
5 |
A' |
1458 |
1378 |
0.945 |
190 |
870 |
|
|
6 |
A' |
1171 |
1188 |
1.015 |
190 |
871 |
|
|
7 |
A' |
983 |
1000 |
1.017 |
190 |
872 |
|
|
8 |
A' |
711 |
826 |
1.161 |
190 |
873 |
|
|
9 |
A' |
527 |
598 |
1.134 |
190 |
874 |
|
|
10 |
A' |
384 |
420 |
1.093 |
190 |
875 |
|
|
11 |
A" |
3122 |
3004 |
0.962 |
190 |
876 |
|
|
12 |
A" |
1499 |
1437 |
0.959 |
190 |
877 |
|
|
13 |
A" |
1097 |
1054 |
0.961 |
190 |
878 |
|
|
14 |
A" |
515 |
567 |
1.102 |
190 |
879 |
|
|
15 |
A" |
140 |
123 |
0.877 |
190 |
880 |
SF6 |
Sulfur Hexafluoride |
4 |
T1u |
764 |
616 |
0.806 |
191 |
881 |
|
|
6 |
T2u |
210 |
347 |
1.651 |
191 |
882 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3134 |
3027 |
0.966 |
192 |
883 |
|
|
2 |
A' |
3001 |
2948 |
0.982 |
192 |
884 |
|
|
3 |
A' |
1679 |
1818 |
1.083 |
192 |
885 |
|
|
4 |
A' |
1503 |
1415 |
0.942 |
192 |
886 |
|
|
5 |
A' |
1449 |
1368 |
0.944 |
192 |
887 |
|
|
6 |
A' |
1140 |
1108 |
0.972 |
192 |
888 |
|
|
7 |
A' |
947 |
956 |
1.010 |
192 |
889 |
|
|
8 |
A' |
549 |
604 |
1.100 |
192 |
890 |
|
|
9 |
A' |
385 |
445 |
1.156 |
192 |
891 |
|
|
10 |
A' |
320 |
348 |
1.089 |
192 |
892 |
|
|
11 |
A" |
3116 |
2990 |
0.960 |
192 |
893 |
|
|
12 |
A" |
1488 |
1431 |
0.962 |
192 |
894 |
|
|
13 |
A" |
1081 |
1032 |
0.955 |
192 |
895 |
|
|
14 |
A" |
479 |
518 |
1.081 |
192 |
896 |
|
|
15 |
A" |
157 |
166 |
1.055 |
192 |
897 |
C2H6 |
Ethane |
1 |
A1g |
2973 |
2954 |
0.994 |
193 |
898 |
|
|
2 |
A1g |
1460 |
1388 |
0.951 |
193 |
899 |
|
|
3 |
A1g |
998 |
995 |
0.997 |
193 |
900 |
|
|
4 |
A1u |
316 |
289 |
0.913 |
193 |
901 |
|
|
5 |
A2u |
2965 |
2896 |
0.977 |
193 |
902 |
|
|
6 |
A2u |
1449 |
1379 |
0.951 |
193 |
903 |
|
|
7 |
Eg |
3056 |
2969 |
0.972 |
193 |
904 |
|
|
8 |
Eg |
1517 |
1468 |
0.968 |
193 |
905 |
|
|
9 |
Eg |
1247 |
1190 |
0.954 |
193 |
906 |
|
|
10 |
Eu |
3081 |
2985 |
0.969 |
193 |
907 |
|
|
11 |
Eu |
1530 |
1469 |
0.960 |
193 |
908 |
|
|
12 |
Eu |
822 |
822 |
1.000 |
193 |
909 |
CH3SiH3 |
methyl silane |
1 |
A1 |
2975 |
2898 |
0.974 |
194 |
910 |
|
|
2 |
A1 |
2161 |
2166 |
1.003 |
194 |
911 |
|
|
3 |
A1 |
1375 |
1260 |
0.916 |
194 |
912 |
|
|
4 |
A1 |
924 |
940 |
1.018 |
194 |
913 |
|
|
5 |
A1 |
672 |
700 |
1.042 |
194 |
914 |
|
|
6 |
A2 |
152 |
187 |
1.232 |
194 |
915 |
|
|
7 |
E |
3085 |
2982 |
0.966 |
194 |
916 |
|
|
8 |
E |
2181 |
2169 |
0.994 |
194 |
917 |
|
|
9 |
E |
1484 |
1403 |
0.945 |
194 |
918 |
|
|
10 |
E |
949 |
980 |
1.033 |
194 |
919 |
|
|
11 |
E |
933 |
868 |
0.930 |
194 |
920 |
|
|
12 |
E |
519 |
540 |
1.040 |
194 |
921 |
Si2H6 |
disilane |
1 |
A1g |
2157 |
2152 |
0.998 |
195 |
922 |
|
|
2 |
A1g |
912 |
909 |
0.997 |
195 |
923 |
|
|
3 |
A1g |
426 |
434 |
1.020 |
195 |
924 |
|
|
4 |
A1u |
125 |
131 |
1.044 |
195 |
925 |
|
|
5 |
A2u |
2148 |
2154 |
1.003 |
195 |
926 |
|
|
6 |
A2u |
838 |
844 |
1.006 |
195 |
927 |
|
|
7 |
Eg |
2176 |
2155 |
0.990 |
195 |
928 |
|
|
8 |
Eg |
918 |
929 |
1.012 |
195 |
929 |
|
|
9 |
Eg |
632 |
625 |
0.989 |
195 |
930 |
|
|
10 |
Eu |
2185 |
2179 |
0.997 |
195 |
931 |
|
|
11 |
Eu |
936 |
940 |
1.004 |
195 |
932 |
|
|
12 |
Eu |
381 |
379 |
0.997 |
195 |
933 |
C2H5N |
Aziridine |
1 |
A' |
3372 |
3338 |
0.990 |
196 |
934 |
|
|
2 |
A' |
3222 |
3079 |
0.956 |
196 |
935 |
|
|
3 |
A' |
3098 |
3015 |
0.973 |
196 |
936 |
|
|
4 |
A' |
1526 |
1482 |
0.971 |
196 |
937 |
|
|
5 |
A' |
1280 |
1237 |
0.966 |
196 |
938 |
|
|
6 |
A' |
1216 |
1211 |
0.996 |
196 |
939 |
|
|
7 |
A' |
1132 |
1090 |
0.963 |
196 |
940 |
|
|
8 |
A' |
1004 |
998 |
0.994 |
196 |
941 |
|
|
9 |
A' |
837 |
856 |
1.023 |
196 |
942 |
|
|
10 |
A' |
744 |
773 |
1.039 |
196 |
943 |
|
|
11 |
A" |
3207 |
3079 |
0.960 |
196 |
944 |
|
|
12 |
A" |
3086 |
3015 |
0.977 |
196 |
945 |
|
|
13 |
A" |
1512 |
1463 |
0.967 |
196 |
946 |
|
|
14 |
A" |
1283 |
1268 |
0.988 |
196 |
947 |
|
|
15 |
A" |
1190 |
1131 |
0.951 |
196 |
948 |
|
|
16 |
A" |
1137 |
1095 |
0.963 |
196 |
949 |
|
|
17 |
A" |
922 |
904 |
0.981 |
196 |
950 |
|
|
18 |
A" |
771 |
817 |
1.059 |
196 |
951 |
CH3COOH |
Acetic acid |
1 |
A' |
3579 |
3583 |
1.001 |
197 |
952 |
|
|
2 |
A' |
3143 |
3051 |
0.971 |
197 |
953 |
|
|
3 |
A' |
3007 |
2944 |
0.979 |
197 |
954 |
|
|
4 |
A' |
1659 |
1788 |
1.078 |
197 |
955 |
|
|
5 |
A' |
1512 |
1430 |
0.946 |
197 |
956 |
|
|
6 |
A' |
1457 |
1382 |
0.949 |
197 |
957 |
|
|
7 |
A' |
1312 |
1264 |
0.963 |
197 |
958 |
|
|
8 |
A' |
1168 |
1182 |
1.012 |
197 |
959 |
|
|
9 |
A' |
998 |
989 |
0.991 |
197 |
960 |
|
|
10 |
A' |
808 |
847 |
1.048 |
197 |
961 |
|
|
11 |
A' |
537 |
657 |
1.223 |
197 |
962 |
|
|
12 |
A' |
403 |
|
|
197 |
963 |
|
|
13 |
A" |
3112 |
2996 |
0.963 |
197 |
964 |
|
|
14 |
A" |
1500 |
1430 |
0.954 |
197 |
965 |
|
|
15 |
A" |
1095 |
1048 |
0.957 |
197 |
966 |
|
|
16 |
A" |
621 |
642 |
1.034 |
197 |
967 |
|
|
17 |
A" |
524 |
534 |
1.020 |
197 |
968 |
|
|
18 |
A" |
76 |
93 |
1.218 |
197 |
969 |
CH3OCHO |
methyl formate |
1 |
A' |
3175 |
3045 |
0.959 |
198 |
970 |
|
|
2 |
A' |
3110 |
2969 |
0.955 |
198 |
971 |
|
|
3 |
A' |
3008 |
2943 |
0.978 |
198 |
972 |
|
|
4 |
A' |
1586 |
1754 |
1.106 |
198 |
973 |
|
|
5 |
A' |
1520 |
1454 |
0.956 |
198 |
974 |
|
|
6 |
A' |
1472 |
1445 |
0.982 |
198 |
975 |
|
|
7 |
A' |
1374 |
1371 |
0.998 |
198 |
976 |
|
|
8 |
A' |
1193 |
1207 |
1.012 |
198 |
977 |
|
|
9 |
A' |
1122 |
1166 |
1.040 |
198 |
978 |
|
|
10 |
A' |
850 |
925 |
1.088 |
198 |
979 |
|
|
11 |
A' |
709 |
767 |
1.082 |
198 |
980 |
|
|
12 |
A' |
277 |
318 |
1.148 |
198 |
981 |
|
|
13 |
A" |
3129 |
3012 |
0.963 |
198 |
982 |
|
|
14 |
A" |
1506 |
1443 |
0.958 |
198 |
983 |
|
|
15 |
A" |
1156 |
1168 |
1.010 |
198 |
984 |
|
|
16 |
A" |
975 |
1032 |
1.059 |
198 |
985 |
|
|
17 |
A" |
326 |
332 |
1.018 |
198 |
986 |
|
|
18 |
A" |
137 |
130 |
0.951 |
198 |
987 |
C3H3NO |
Isoxazole |
1 |
A' |
3262 |
3160 |
0.969 |
199 |
988 |
|
|
2 |
A' |
3236 |
3128 |
0.967 |
199 |
989 |
|
|
3 |
A' |
3222 |
3086 |
0.958 |
199 |
990 |
|
|
4 |
A' |
1494 |
1561 |
1.045 |
199 |
991 |
|
|
5 |
A' |
1384 |
1433 |
1.035 |
199 |
992 |
|
|
6 |
A' |
1324 |
1371 |
1.035 |
199 |
993 |
|
|
7 |
A' |
1162 |
1218 |
1.048 |
199 |
994 |
|
|
8 |
A' |
1124 |
1130 |
1.005 |
199 |
995 |
|
|
9 |
A' |
1063 |
1096 |
1.031 |
199 |
996 |
|
|
10 |
A' |
1004 |
1024 |
1.020 |
199 |
997 |
|
|
11 |
A' |
907 |
920 |
1.014 |
199 |
998 |
|
|
12 |
A' |
864 |
900 |
1.042 |
199 |
999 |
|
|
13 |
A' |
794 |
857 |
1.079 |
199 |
1000 |
|
|
14 |
A" |
781 |
890 |
1.139 |
199 |
1001 |
|
|
15 |
A" |
720 |
866 |
1.203 |
199 |
1002 |
|
|
16 |
A" |
688 |
765 |
1.112 |
199 |
1003 |
|
|
17 |
A" |
580 |
631 |
1.088 |
199 |
1004 |
|
|
18 |
A" |
560 |
592 |
1.057 |
199 |
1005 |
C3H3NO |
Oxazole |
1 |
A' |
3286 |
3170 |
0.965 |
200 |
1006 |
|
|
2 |
A' |
3275 |
3144 |
0.960 |
200 |
1007 |
|
|
3 |
A' |
3253 |
3141 |
0.966 |
200 |
1008 |
|
|
4 |
A' |
1461 |
1537 |
1.052 |
200 |
1009 |
|
|
5 |
A' |
1403 |
1504 |
1.072 |
200 |
1010 |
|
|
6 |
A' |
1288 |
1324 |
1.028 |
200 |
1011 |
|
|
7 |
A' |
1233 |
1252 |
1.016 |
200 |
1012 |
|
|
8 |
A' |
1133 |
1139 |
1.005 |
200 |
1013 |
|
|
9 |
A' |
1035 |
1086 |
1.049 |
200 |
1014 |
|
|
10 |
A' |
1004 |
1078 |
1.074 |
200 |
1015 |
|
|
11 |
A' |
982 |
1046 |
1.065 |
200 |
1016 |
|
|
12 |
A' |
870 |
899 |
1.033 |
200 |
1017 |
|
|
13 |
A' |
846 |
854 |
1.009 |
200 |
1018 |
|
|
14 |
A" |
757 |
907 |
1.198 |
200 |
1019 |
|
|
15 |
A" |
719 |
830 |
1.154 |
200 |
1020 |
|
|
16 |
A" |
658 |
750 |
1.140 |
200 |
1021 |
|
|
17 |
A" |
623 |
647 |
1.038 |
200 |
1022 |
|
|
18 |
A" |
558 |
607 |
1.087 |
200 |
1023 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3023 |
2974 |
0.984 |
201 |
1024 |
|
|
2 |
A1 |
1473 |
1412 |
0.959 |
201 |
1025 |
|
|
3 |
A1 |
1268 |
1278 |
1.008 |
201 |
1026 |
|
|
4 |
A1 |
741 |
828 |
1.117 |
201 |
1027 |
|
|
5 |
A1 |
536 |
606 |
1.130 |
201 |
1028 |
|
|
6 |
A2 |
221 |
225 |
1.018 |
201 |
1029 |
|
|
7 |
E |
3149 |
3042 |
0.966 |
201 |
1030 |
|
|
8 |
E |
1512 |
1450 |
0.959 |
201 |
1031 |
|
|
9 |
E |
1208 |
1230 |
1.018 |
201 |
1032 |
|
|
10 |
E |
925 |
964 |
1.042 |
201 |
1033 |
|
|
11 |
E |
475 |
540 |
1.137 |
201 |
1034 |
|
|
12 |
E |
334 |
365 |
1.092 |
201 |
1035 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1324 |
1420 |
1.073 |
202 |
1036 |
|
|
2 |
A1g |
696 |
809 |
1.162 |
202 |
1037 |
|
|
3 |
A1g |
322 |
349 |
1.084 |
202 |
1038 |
|
|
4 |
A1u |
68 |
68 |
0.995 |
202 |
1039 |
|
|
5 |
A2u |
1000 |
1117 |
1.116 |
202 |
1040 |
|
|
6 |
A2u |
610 |
714 |
1.171 |
202 |
1041 |
|
|
7 |
Eg |
1100 |
1237 |
1.124 |
202 |
1042 |
|
|
8 |
Eg |
546 |
620 |
1.135 |
202 |
1043 |
|
|
9 |
Eg |
336 |
380 |
1.133 |
202 |
1044 |
|
|
10 |
Eu |
1109 |
1251 |
1.128 |
202 |
1045 |
|
|
11 |
Eu |
448 |
523 |
1.167 |
202 |
1046 |
|
|
12 |
Eu |
204 |
216 |
1.056 |
202 |
1047 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3082 |
2967 |
0.963 |
203 |
1048 |
|
|
2 |
A' |
3053 |
2946 |
0.965 |
203 |
1049 |
|
|
3 |
A' |
2978 |
2881 |
0.967 |
203 |
1050 |
|
|
4 |
A' |
1521 |
1463 |
0.962 |
203 |
1051 |
|
|
5 |
A' |
1500 |
1448 |
0.965 |
203 |
1052 |
|
|
6 |
A' |
1460 |
1385 |
0.949 |
203 |
1053 |
|
|
7 |
A' |
1358 |
1289 |
0.949 |
203 |
1054 |
|
|
8 |
A' |
1097 |
1081 |
0.986 |
203 |
1055 |
|
|
9 |
A' |
993 |
974 |
0.981 |
203 |
1056 |
|
|
10 |
A' |
625 |
677 |
1.083 |
203 |
1057 |
|
|
11 |
A' |
317 |
336 |
1.060 |
203 |
1058 |
|
|
12 |
A" |
3148 |
3014 |
0.957 |
203 |
1059 |
|
|
13 |
A" |
3100 |
2986 |
0.963 |
203 |
1060 |
|
|
14 |
A" |
1506 |
1448 |
0.961 |
203 |
1061 |
|
|
15 |
A" |
1287 |
1251 |
0.972 |
203 |
1062 |
|
|
16 |
A" |
1089 |
974 |
0.894 |
203 |
1063 |
|
|
17 |
A" |
792 |
786 |
0.993 |
203 |
1064 |
|
|
18 |
A" |
267 |
251 |
0.939 |
203 |
1065 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3071 |
2957 |
0.963 |
204 |
1066 |
|
|
1 |
A |
3142 |
3005 |
0.956 |
204 |
1067 |
|
|
2 |
A |
3053 |
2957 |
0.969 |
204 |
1068 |
|
|
2 |
Ag |
1504 |
1445 |
0.961 |
204 |
1069 |
|
|
3 |
Ag |
1380 |
1304 |
0.945 |
204 |
1070 |
|
|
3 |
A |
1484 |
1433 |
0.966 |
204 |
1071 |
|
|
4 |
A |
1376 |
1315 |
0.956 |
204 |
1072 |
|
|
4 |
Ag |
1075 |
1052 |
0.978 |
204 |
1073 |
|
|
5 |
Ag |
723 |
754 |
1.043 |
204 |
1074 |
|
|
5 |
A |
1227 |
1207 |
0.984 |
204 |
1075 |
|
|
6 |
A |
1067 |
1027 |
0.963 |
204 |
1076 |
|
|
6 |
Ag |
282 |
300 |
1.062 |
204 |
1077 |
|
|
7 |
Au |
3182 |
3005 |
0.944 |
204 |
1078 |
|
|
7 |
A |
967 |
948 |
0.980 |
204 |
1079 |
|
|
8 |
A |
620 |
669 |
1.079 |
204 |
1080 |
|
|
8 |
Au |
1149 |
1123 |
0.977 |
204 |
1081 |
|
|
9 |
Au |
790 |
773 |
0.979 |
204 |
1082 |
|
|
9 |
A |
253 |
272 |
1.077 |
204 |
1083 |
|
|
10 |
A |
111 |
125 |
1.124 |
204 |
1084 |
|
|
10 |
Au |
116 |
123 |
1.059 |
204 |
1085 |
|
|
11 |
Bg |
3160 |
3005 |
0.951 |
204 |
1086 |
|
|
11 |
B |
3153 |
3005 |
0.953 |
204 |
1087 |
|
|
12 |
B |
3043 |
2957 |
0.972 |
204 |
1088 |
|
|
12 |
Bg |
1315 |
1264 |
0.961 |
204 |
1089 |
|
|
13 |
Bg |
1021 |
989 |
0.969 |
204 |
1090 |
|
|
13 |
B |
1478 |
1436 |
0.972 |
204 |
1091 |
|
|
14 |
B |
1369 |
1292 |
0.943 |
204 |
1092 |
|
|
14 |
Bu |
3075 |
2983 |
0.970 |
204 |
1093 |
|
|
15 |
Bu |
1502 |
1461 |
0.973 |
204 |
1094 |
|
|
15 |
B |
1162 |
1146 |
0.986 |
204 |
1095 |
|
|
16 |
B |
905 |
890 |
0.983 |
204 |
1096 |
|
|
16 |
Bu |
1303 |
1232 |
0.946 |
204 |
1097 |
|
|
17 |
Bu |
674 |
728 |
1.080 |
204 |
1098 |
|
|
17 |
B |
646 |
693 |
1.073 |
204 |
1099 |
|
|
18 |
B |
390 |
410 |
1.050 |
204 |
1100 |
|
|
18 |
Bu |
200 |
222 |
1.109 |
204 |
1101 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
2999 |
2951 |
0.984 |
205 |
1102 |
|
|
2 |
A1 |
1464 |
1386 |
0.946 |
205 |
1103 |
|
|
3 |
A1 |
1092 |
1075 |
0.985 |
205 |
1104 |
|
|
4 |
A1 |
478 |
526 |
1.101 |
205 |
1105 |
|
|
5 |
A1 |
319 |
344 |
1.077 |
205 |
1106 |
|
|
6 |
A2 |
305 |
214 |
0.701 |
205 |
1107 |
|
|
7 |
E |
3120 |
3014 |
0.966 |
205 |
1108 |
|
|
8 |
E |
1493 |
1457 |
0.976 |
205 |
1109 |
|
|
9 |
E |
1131 |
1088 |
0.962 |
205 |
1110 |
|
|
10 |
E |
677 |
724 |
1.069 |
205 |
1111 |
|
|
11 |
E |
330 |
351 |
1.064 |
205 |
1112 |
|
|
12 |
E |
229 |
239 |
1.044 |
205 |
1113 |
C3H6 |
Cyclopropane |
1 |
A1' |
3108 |
3038 |
0.977 |
206 |
1114 |
|
|
2 |
A1' |
1525 |
1479 |
0.970 |
206 |
1115 |
|
|
3 |
A1' |
1186 |
1188 |
1.002 |
206 |
1116 |
|
|
4 |
A1" |
1196 |
1126 |
0.941 |
206 |
1117 |
|
|
5 |
A2' |
1134 |
1070 |
0.943 |
206 |
1118 |
|
|
6 |
A2" |
3222 |
3103 |
0.963 |
206 |
1119 |
|
|
7 |
A2" |
862 |
854 |
0.991 |
206 |
1120 |
|
|
8 |
E' |
3090 |
3025 |
0.979 |
206 |
1121 |
|
|
9 |
E' |
1496 |
1438 |
0.961 |
206 |
1122 |
|
|
10 |
E' |
1136 |
1029 |
0.906 |
206 |
1123 |
|
|
11 |
E' |
853 |
866 |
1.016 |
206 |
1124 |
|
|
12 |
E" |
3198 |
3082 |
0.964 |
206 |
1125 |
|
|
13 |
E" |
1233 |
1188 |
0.963 |
206 |
1126 |
|
|
14 |
E" |
781 |
739 |
0.946 |
206 |
1127 |
CH2CHCH3 |
Propene |
1 |
A' |
3193 |
3090 |
0.968 |
207 |
1128 |
|
|
2 |
A' |
3103 |
3013 |
0.971 |
207 |
1129 |
|
|
3 |
A' |
3081 |
2991 |
0.971 |
207 |
1130 |
|
|
4 |
A' |
3066 |
2954 |
0.964 |
207 |
1131 |
|
|
5 |
A' |
2960 |
2871 |
0.970 |
207 |
1132 |
|
|
6 |
A' |
1644 |
1650 |
1.004 |
207 |
1133 |
|
|
7 |
A' |
1532 |
1470 |
0.960 |
207 |
1134 |
|
|
8 |
A' |
1473 |
1420 |
0.964 |
207 |
1135 |
|
|
9 |
A' |
1451 |
1378 |
0.950 |
207 |
1136 |
|
|
10 |
A' |
1328 |
1297 |
0.977 |
207 |
1137 |
|
|
11 |
A' |
1204 |
1171 |
0.972 |
207 |
1138 |
|
|
12 |
A' |
957 |
963 |
1.006 |
207 |
1139 |
|
|
13 |
A' |
917 |
920 |
1.003 |
207 |
1140 |
|
|
14 |
A' |
420 |
428 |
1.020 |
207 |
1141 |
|
|
15 |
A" |
3053 |
2954 |
0.968 |
207 |
1142 |
|
|
16 |
A" |
1498 |
1443 |
0.963 |
207 |
1143 |
|
|
17 |
A" |
1088 |
1045 |
0.960 |
207 |
1144 |
|
|
18 |
A" |
994 |
991 |
0.997 |
207 |
1145 |
|
|
19 |
A" |
828 |
912 |
1.102 |
207 |
1146 |
|
|
20 |
A" |
561 |
578 |
1.031 |
207 |
1147 |
|
|
21 |
A" |
176 |
174 |
0.988 |
207 |
1148 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3650 |
3523 |
0.965 |
208 |
1149 |
|
|
2 |
A' |
3243 |
3155 |
0.973 |
208 |
1150 |
|
|
3 |
A' |
3224 |
3137 |
0.973 |
208 |
1151 |
|
|
4 |
A' |
3212 |
3126 |
0.973 |
208 |
1152 |
|
|
5 |
A' |
1507 |
1531 |
1.016 |
208 |
1153 |
|
|
6 |
A' |
1437 |
1447 |
1.007 |
208 |
1154 |
|
|
7 |
A' |
1396 |
1395 |
0.999 |
208 |
1155 |
|
|
8 |
A' |
1332 |
1358 |
1.019 |
208 |
1156 |
|
|
9 |
A' |
1219 |
1254 |
1.029 |
208 |
1157 |
|
|
10 |
A' |
1135 |
1159 |
1.021 |
208 |
1158 |
|
|
11 |
A' |
1110 |
1121 |
1.010 |
208 |
1159 |
|
|
12 |
A' |
1051 |
1054 |
1.002 |
208 |
1160 |
|
|
13 |
A' |
998 |
1009 |
1.011 |
208 |
1161 |
|
|
14 |
A' |
918 |
924 |
1.007 |
208 |
1162 |
|
|
15 |
A' |
902 |
908 |
1.006 |
208 |
1163 |
|
|
16 |
A" |
738 |
879 |
1.191 |
208 |
1164 |
|
|
17 |
A" |
705 |
833 |
1.181 |
208 |
1165 |
|
|
18 |
A" |
639 |
745 |
1.166 |
208 |
1166 |
|
|
19 |
A" |
618 |
674 |
1.091 |
208 |
1167 |
|
|
20 |
A" |
580 |
623 |
1.074 |
208 |
1168 |
|
|
21 |
A" |
510 |
516 |
1.012 |
208 |
1169 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3632 |
3517 |
0.968 |
209 |
1170 |
|
|
2 |
A' |
3250 |
3143 |
0.967 |
209 |
1171 |
|
|
3 |
A' |
3236 |
3123 |
0.965 |
209 |
1172 |
|
|
4 |
A' |
3225 |
3110 |
0.964 |
209 |
1173 |
|
|
5 |
A' |
1505 |
1448 |
0.962 |
209 |
1174 |
|
|
6 |
A' |
1437 |
1404 |
0.977 |
209 |
1175 |
|
|
7 |
A' |
1395 |
1328 |
0.952 |
209 |
1176 |
|
|
8 |
A' |
1312 |
1265 |
0.964 |
209 |
1177 |
|
|
9 |
A' |
1233 |
1188 |
0.963 |
209 |
1178 |
|
|
10 |
A' |
1154 |
1098 |
0.951 |
209 |
1179 |
|
|
11 |
A' |
1090 |
1062 |
0.974 |
209 |
1180 |
|
|
12 |
A' |
1080 |
1013 |
0.938 |
209 |
1181 |
|
|
13 |
A' |
1032 |
988 |
0.957 |
209 |
1182 |
|
|
14 |
A' |
926 |
923 |
0.997 |
209 |
1183 |
|
|
15 |
A' |
885 |
898 |
1.015 |
209 |
1184 |
|
|
16 |
A" |
726 |
831 |
1.144 |
209 |
1185 |
|
|
17 |
A" |
686 |
758 |
1.104 |
209 |
1186 |
|
|
18 |
A" |
650 |
674 |
1.037 |
209 |
1187 |
|
|
19 |
A" |
618 |
663 |
1.072 |
209 |
1188 |
|
|
20 |
A" |
581 |
621 |
1.069 |
209 |
1189 |
|
|
21 |
A" |
501 |
539 |
1.077 |
209 |
1190 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3213 |
3042 |
0.947 |
210 |
1191 |
|
|
2 |
A1' |
1107 |
1132 |
1.023 |
210 |
1192 |
|
|
3 |
A1' |
912 |
992 |
1.088 |
210 |
1193 |
|
|
4 |
A2' |
1389 |
1278 |
0.920 |
210 |
1194 |
|
|
5 |
A2' |
1043 |
1068 |
1.024 |
210 |
1195 |
|
|
6 |
A2" |
858 |
925 |
1.078 |
210 |
1196 |
|
|
7 |
A2" |
761 |
737 |
0.969 |
210 |
1197 |
|
|
8 |
E' |
3206 |
3056 |
0.953 |
210 |
1198 |
|
|
9 |
E' |
1476 |
1555 |
1.053 |
210 |
1199 |
|
|
10 |
E' |
1387 |
1410 |
1.017 |
210 |
1200 |
|
|
11 |
E' |
1092 |
1176 |
1.077 |
210 |
1201 |
|
|
12 |
E' |
653 |
657 |
1.007 |
210 |
1202 |
|
|
13 |
E" |
918 |
830 |
0.904 |
210 |
1203 |
|
|
14 |
E" |
355 |
340 |
0.959 |
210 |
1204 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3130 |
2996 |
0.957 |
211 |
1205 |
|
|
2 |
A1 |
2942 |
2817 |
0.957 |
211 |
1206 |
|
|
3 |
A1 |
1537 |
1464 |
0.952 |
211 |
1207 |
|
|
4 |
A1 |
1495 |
1452 |
0.971 |
211 |
1208 |
|
|
5 |
A1 |
1243 |
1244 |
1.001 |
211 |
1209 |
|
|
6 |
A1 |
850 |
928 |
1.092 |
211 |
1210 |
|
|
7 |
A1 |
385 |
418 |
1.086 |
211 |
1211 |
|
|
8 |
A2 |
3030 |
2952 |
0.974 |
211 |
1212 |
|
|
9 |
A2 |
1499 |
1464 |
0.976 |
211 |
1213 |
|
|
10 |
A2 |
1126 |
1150 |
1.022 |
211 |
1214 |
|
|
11 |
A2 |
183 |
203 |
1.107 |
211 |
1215 |
|
|
12 |
B1 |
3029 |
2925 |
0.966 |
211 |
1216 |
|
|
13 |
B1 |
1510 |
1464 |
0.970 |
211 |
1217 |
|
|
14 |
B1 |
1160 |
1179 |
1.016 |
211 |
1218 |
|
|
15 |
B1 |
234 |
242 |
1.035 |
211 |
1219 |
|
|
16 |
B2 |
3128 |
2996 |
0.958 |
211 |
1220 |
|
|
17 |
B2 |
2936 |
2817 |
0.960 |
211 |
1221 |
|
|
18 |
B2 |
1521 |
1464 |
0.962 |
211 |
1222 |
|
|
19 |
B2 |
1472 |
1452 |
0.987 |
211 |
1223 |
|
|
20 |
B2 |
1148 |
1227 |
1.069 |
211 |
1224 |
|
|
21 |
B2 |
1059 |
1102 |
1.040 |
211 |
1225 |
C4H4O |
Furan |
1 |
A1 |
3263 |
3161 |
0.969 |
212 |
1226 |
|
|
2 |
A1 |
3222 |
3140 |
0.975 |
212 |
1227 |
|
|
3 |
A1 |
1435 |
1491 |
1.039 |
212 |
1228 |
|
|
4 |
A1 |
1370 |
1384 |
1.010 |
212 |
1229 |
|
|
5 |
A1 |
1132 |
1140 |
1.007 |
212 |
1230 |
|
|
6 |
A1 |
1053 |
1066 |
1.012 |
212 |
1231 |
|
|
7 |
A1 |
956 |
995 |
1.040 |
212 |
1232 |
|
|
8 |
A1 |
842 |
871 |
1.034 |
212 |
1233 |
|
|
9 |
A2 |
638 |
838 |
1.314 |
212 |
1234 |
|
|
10 |
A2 |
595 |
728 |
1.224 |
212 |
1235 |
|
|
11 |
A2 |
276i |
603 |
-2.182 |
212 |
1236 |
|
|
12 |
B1 |
714 |
863 |
1.208 |
212 |
1237 |
|
|
13 |
B1 |
669 |
745 |
1.114 |
212 |
1238 |
|
|
14 |
B1 |
564 |
613 |
1.086 |
212 |
1239 |
|
|
15 |
B2 |
3255 |
3154 |
0.969 |
212 |
1240 |
|
|
16 |
B2 |
3208 |
3129 |
0.976 |
212 |
1241 |
|
|
17 |
B2 |
1506 |
1556 |
1.033 |
212 |
1242 |
|
|
18 |
B2 |
1254 |
1267 |
1.011 |
212 |
1243 |
|
|
19 |
B2 |
1162 |
1180 |
1.015 |
212 |
1244 |
|
|
20 |
B2 |
1020 |
1040 |
1.019 |
212 |
1245 |
|
|
21 |
B2 |
870 |
873 |
1.004 |
212 |
1246 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3065 |
3001 |
0.979 |
213 |
1247 |
|
|
2 |
A' |
3043 |
2935 |
0.965 |
213 |
1248 |
|
|
3 |
A' |
1711 |
1882 |
1.100 |
213 |
1249 |
|
|
4 |
A' |
1533 |
1475 |
0.962 |
213 |
1250 |
|
|
5 |
A' |
1491 |
1427 |
0.957 |
213 |
1251 |
|
|
6 |
A' |
1321 |
1319 |
0.998 |
213 |
1252 |
|
|
7 |
A' |
1264 |
1199 |
0.949 |
213 |
1253 |
|
|
8 |
A' |
1003 |
1093 |
1.089 |
213 |
1254 |
|
|
9 |
A' |
981 |
1005 |
1.025 |
213 |
1255 |
|
|
10 |
A' |
843 |
924 |
1.097 |
213 |
1256 |
|
|
11 |
A' |
833 |
891 |
1.070 |
213 |
1257 |
|
|
12 |
A' |
685 |
746 |
1.089 |
213 |
1258 |
|
|
13 |
A' |
452 |
513 |
1.136 |
213 |
1259 |
|
|
14 |
A" |
3160 |
3028 |
0.958 |
213 |
1260 |
|
|
15 |
A" |
3124 |
3000 |
0.960 |
213 |
1261 |
|
|
16 |
A" |
1206 |
1184 |
0.982 |
213 |
1262 |
|
|
17 |
A" |
1098 |
1139 |
1.038 |
213 |
1263 |
|
|
18 |
A" |
1060 |
1046 |
0.987 |
213 |
1264 |
|
|
19 |
A" |
807 |
790 |
0.979 |
213 |
1265 |
|
|
20 |
A" |
477 |
490 |
1.028 |
213 |
1266 |
|
|
21 |
A" |
155 |
113 |
0.728 |
213 |
1267 |
CH3CH2SH |
ethanethiol |
1 |
A |
3110 |
2980 |
0.958 |
214 |
1268 |
|
|
1 |
A' |
3079 |
2966 |
0.963 |
214 |
1269 |
|
|
2 |
A' |
3021 |
2872 |
0.951 |
214 |
1270 |
|
|
2 |
A |
3082 |
2967 |
0.963 |
214 |
1271 |
|
|
3 |
A |
3065 |
2930 |
0.956 |
214 |
1272 |
|
|
3 |
A' |
2976 |
2872 |
0.965 |
214 |
1273 |
|
|
4 |
A' |
2511 |
2580 |
1.028 |
214 |
1274 |
|
|
4 |
A |
3024 |
2902 |
0.960 |
214 |
1275 |
|
|
5 |
A |
2968 |
2875 |
0.969 |
214 |
1276 |
|
|
5 |
A' |
1522 |
1453 |
0.955 |
214 |
1277 |
|
|
6 |
A' |
1498 |
1453 |
0.970 |
214 |
1278 |
|
|
6 |
A |
2512 |
2591 |
1.032 |
214 |
1279 |
|
|
7 |
A |
1517 |
1462 |
0.964 |
214 |
1280 |
|
|
7 |
A' |
1459 |
1385 |
0.949 |
214 |
1281 |
|
|
8 |
A' |
1350 |
1309 |
0.970 |
214 |
1282 |
|
|
8 |
A |
1509 |
1452 |
0.962 |
214 |
1283 |
|
|
9 |
A |
1489 |
1437 |
0.965 |
214 |
1284 |
|
|
9 |
A' |
1113 |
1097 |
0.985 |
214 |
1285 |
|
|
10 |
A' |
1004 |
978 |
0.974 |
214 |
1286 |
|
|
10 |
A |
1457 |
1377 |
0.945 |
214 |
1287 |
|
|
11 |
A |
1350 |
1269 |
0.940 |
214 |
1288 |
|
|
11 |
A' |
817 |
870 |
1.064 |
214 |
1289 |
|
|
12 |
A' |
636 |
660 |
1.038 |
214 |
1290 |
|
|
12 |
A |
1291 |
1246 |
0.965 |
214 |
1291 |
|
|
13 |
A |
1131 |
1093 |
0.967 |
214 |
1292 |
|
|
13 |
A' |
290 |
332 |
1.144 |
214 |
1293 |
|
|
14 |
A" |
3108 |
2966 |
0.954 |
214 |
1294 |
|
|
14 |
A |
1079 |
1051 |
0.974 |
214 |
1295 |
|
|
15 |
A |
997 |
970 |
0.973 |
214 |
1296 |
|
|
15 |
A" |
3080 |
2930 |
0.951 |
214 |
1297 |
|
|
16 |
A" |
1509 |
1453 |
0.963 |
214 |
1298 |
|
|
16 |
A |
850 |
867 |
1.020 |
214 |
1299 |
|
|
17 |
A |
737 |
735 |
0.997 |
214 |
1300 |
|
|
17 |
A" |
1282 |
1269 |
0.989 |
214 |
1301 |
|
|
18 |
A" |
1067 |
1049 |
0.983 |
214 |
1302 |
|
|
18 |
A |
625 |
658 |
1.053 |
214 |
1303 |
|
|
19 |
A |
314 |
319 |
1.016 |
214 |
1304 |
|
|
19 |
A" |
796 |
745 |
0.936 |
214 |
1305 |
|
|
20 |
A |
271 |
|
|
214 |
1306 |
|
|
21 |
A |
198 |
|
|
214 |
1307 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3124 |
2997 |
0.959 |
215 |
1308 |
|
|
2 |
A1 |
2985 |
2925 |
0.980 |
215 |
1309 |
|
|
3 |
A1 |
1501 |
1447 |
0.964 |
215 |
1310 |
|
|
4 |
A1 |
1418 |
1337 |
0.943 |
215 |
1311 |
|
|
5 |
A1 |
1068 |
1030 |
0.965 |
215 |
1312 |
|
|
6 |
A1 |
648 |
695 |
1.072 |
215 |
1313 |
|
|
7 |
A1 |
242 |
280 |
1.156 |
215 |
1314 |
|
|
8 |
A2 |
3111 |
2970 |
0.955 |
215 |
1315 |
|
|
9 |
A2 |
1467 |
1427 |
0.972 |
215 |
1316 |
|
|
10 |
A2 |
970 |
946 |
0.975 |
215 |
1317 |
|
|
11 |
A2 |
118 |
175 |
1.480 |
215 |
1318 |
|
|
12 |
B1 |
3106 |
2970 |
0.956 |
215 |
1319 |
|
|
13 |
B1 |
1477 |
1439 |
0.974 |
215 |
1320 |
|
|
14 |
B1 |
1007 |
973 |
0.966 |
215 |
1321 |
|
|
15 |
B1 |
149 |
183 |
1.225 |
215 |
1322 |
|
|
16 |
B2 |
3124 |
2999 |
0.960 |
215 |
1323 |
|
|
17 |
B2 |
2988 |
2919 |
0.977 |
215 |
1324 |
|
|
18 |
B2 |
1488 |
1442 |
0.969 |
215 |
1325 |
|
|
19 |
B2 |
1392 |
1315 |
0.945 |
215 |
1326 |
|
|
20 |
B2 |
935 |
903 |
0.965 |
215 |
1327 |
|
|
21 |
B2 |
704 |
742 |
1.054 |
215 |
1328 |
C4H4S |
Thiophene |
1 |
A1 |
3217 |
3126 |
0.972 |
216 |
1329 |
|
|
2 |
A1 |
3174 |
3098 |
0.976 |
216 |
1330 |
|
|
3 |
A1 |
1401 |
1409 |
1.006 |
216 |
1331 |
|
|
4 |
A1 |
1359 |
1360 |
1.001 |
216 |
1332 |
|
|
5 |
A1 |
1112 |
1083 |
0.974 |
216 |
1333 |
|
|
6 |
A1 |
1025 |
1036 |
1.011 |
216 |
1334 |
|
|
7 |
A1 |
785 |
872 |
1.110 |
216 |
1335 |
|
|
8 |
A1 |
583 |
608 |
1.043 |
216 |
1336 |
|
|
9 |
A2 |
649 |
867 |
1.336 |
216 |
1337 |
|
|
10 |
A2 |
577 |
688 |
1.192 |
216 |
1338 |
|
|
11 |
A2 |
152 |
567 |
3.719 |
216 |
1339 |
|
|
12 |
B1 |
713 |
839 |
1.177 |
216 |
1340 |
|
|
13 |
B1 |
642 |
712 |
1.109 |
216 |
1341 |
|
|
14 |
B1 |
385 |
452 |
1.174 |
216 |
1342 |
|
|
15 |
B2 |
3211 |
3125 |
0.973 |
216 |
1343 |
|
|
16 |
B2 |
3158 |
3086 |
0.977 |
216 |
1344 |
|
|
17 |
B2 |
1484 |
1504 |
1.013 |
216 |
1345 |
|
|
18 |
B2 |
1266 |
1256 |
0.992 |
216 |
1346 |
|
|
19 |
B2 |
1107 |
1085 |
0.980 |
216 |
1347 |
|
|
20 |
B2 |
857 |
903 |
1.054 |
216 |
1348 |
|
|
21 |
B2 |
687 |
751 |
1.092 |
216 |
1349 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3197 |
3087 |
0.965 |
217 |
1350 |
|
|
2 |
Ag |
3097 |
3003 |
0.970 |
217 |
1351 |
|
|
3 |
Ag |
3081 |
2992 |
0.971 |
217 |
1352 |
|
|
4 |
Ag |
1655 |
1630 |
0.985 |
217 |
1353 |
|
|
5 |
Ag |
1494 |
1438 |
0.962 |
217 |
1354 |
|
|
6 |
Ag |
1317 |
1280 |
0.972 |
217 |
1355 |
|
|
7 |
Ag |
1232 |
1196 |
0.971 |
217 |
1356 |
|
|
8 |
Ag |
887 |
894 |
1.008 |
217 |
1357 |
|
|
9 |
Ag |
508 |
512 |
1.007 |
217 |
1358 |
|
|
10 |
Au |
982 |
1013 |
1.031 |
217 |
1359 |
|
|
11 |
Au |
811 |
908 |
1.119 |
217 |
1360 |
|
|
12 |
Au |
479 |
522 |
1.089 |
217 |
1361 |
|
|
13 |
Au |
132 |
162 |
1.223 |
217 |
1362 |
|
|
14 |
Bg |
935 |
976 |
1.044 |
217 |
1363 |
|
|
15 |
Bg |
814 |
912 |
1.120 |
217 |
1364 |
|
|
16 |
Bg |
669 |
770 |
1.151 |
217 |
1365 |
|
|
17 |
Bu |
3198 |
3101 |
0.970 |
217 |
1366 |
|
|
18 |
Bu |
3100 |
3055 |
0.985 |
217 |
1367 |
|
|
19 |
Bu |
3084 |
2984 |
0.968 |
217 |
1368 |
|
|
20 |
Bu |
1596 |
1596 |
1.000 |
217 |
1369 |
|
|
21 |
Bu |
1414 |
1381 |
0.976 |
217 |
1370 |
|
|
22 |
Bu |
1330 |
1294 |
0.973 |
217 |
1371 |
|
|
23 |
Bu |
1011 |
990 |
0.979 |
217 |
1372 |
|
|
24 |
Bu |
291 |
301 |
1.034 |
217 |
1373 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3102 |
3061 |
0.987 |
218 |
1374 |
|
|
2 |
A' |
3084 |
3010 |
0.976 |
218 |
1375 |
|
|
3 |
A' |
3080 |
2965 |
0.963 |
218 |
1376 |
|
|
4 |
A' |
2964 |
2905 |
0.980 |
218 |
1377 |
|
|
5 |
A' |
1953 |
1970 |
1.009 |
218 |
1378 |
|
|
6 |
A' |
1532 |
1453 |
0.948 |
218 |
1379 |
|
|
7 |
A' |
1502 |
1437 |
0.957 |
218 |
1380 |
|
|
8 |
A' |
1453 |
1389 |
0.956 |
218 |
1381 |
|
|
9 |
A' |
1376 |
1330 |
0.967 |
218 |
1382 |
|
|
10 |
A' |
1139 |
1132 |
0.994 |
218 |
1383 |
|
|
11 |
A' |
1108 |
1074 |
0.969 |
218 |
1384 |
|
|
12 |
A' |
906 |
876 |
0.967 |
218 |
1385 |
|
|
13 |
A' |
859 |
859 |
1.000 |
218 |
1386 |
|
|
14 |
A' |
551 |
555 |
1.007 |
218 |
1387 |
|
|
15 |
A' |
205 |
210 |
1.023 |
218 |
1388 |
|
|
16 |
A" |
3184 |
3061 |
0.961 |
218 |
1389 |
|
|
17 |
A" |
3058 |
2965 |
0.970 |
218 |
1390 |
|
|
18 |
A" |
1504 |
1453 |
0.966 |
218 |
1391 |
|
|
19 |
A" |
1094 |
1110 |
1.014 |
218 |
1392 |
|
|
20 |
A" |
1059 |
1011 |
0.955 |
218 |
1393 |
|
|
21 |
A" |
916 |
842 |
0.919 |
218 |
1394 |
|
|
22 |
A" |
543 |
523 |
0.963 |
218 |
1395 |
|
|
23 |
A" |
322 |
322 |
1.001 |
218 |
1396 |
C4H6 |
Cyclobutene |
1 |
A1 |
3166 |
3060 |
0.967 |
219 |
1397 |
|
|
2 |
A1 |
3004 |
2935 |
0.977 |
219 |
1398 |
|
|
3 |
A1 |
1537 |
1570 |
1.022 |
219 |
1399 |
|
|
4 |
A1 |
1505 |
1450 |
0.963 |
219 |
1400 |
|
|
5 |
A1 |
1242 |
1276 |
1.027 |
219 |
1401 |
|
|
6 |
A1 |
1121 |
1186 |
1.058 |
219 |
1402 |
|
|
7 |
A1 |
999 |
1113 |
1.114 |
219 |
1403 |
|
|
8 |
A1 |
865 |
886 |
1.025 |
219 |
1404 |
|
|
9 |
A2 |
3063 |
2955 |
0.965 |
219 |
1405 |
|
|
10 |
A2 |
1144 |
1276 |
1.116 |
219 |
1406 |
|
|
11 |
A2 |
1040 |
1081 |
1.039 |
219 |
1407 |
|
|
12 |
A2 |
804 |
850 |
1.057 |
219 |
1408 |
|
|
13 |
A2 |
291 |
325 |
1.118 |
219 |
1409 |
|
|
14 |
B1 |
3081 |
2955 |
0.959 |
219 |
1410 |
|
|
15 |
B1 |
1097 |
1074 |
0.979 |
219 |
1411 |
|
|
16 |
B1 |
867 |
846 |
0.976 |
219 |
1412 |
|
|
17 |
B1 |
680 |
635 |
0.933 |
219 |
1413 |
|
|
18 |
B2 |
3128 |
3047 |
0.974 |
219 |
1414 |
|
|
19 |
B2 |
2995 |
2916 |
0.974 |
219 |
1415 |
|
|
20 |
B2 |
1497 |
1427 |
0.953 |
219 |
1416 |
|
|
21 |
B2 |
1301 |
1294 |
0.994 |
219 |
1417 |
|
|
22 |
B2 |
1245 |
1214 |
0.975 |
219 |
1418 |
|
|
23 |
B2 |
887 |
888 |
1.001 |
219 |
1419 |
|
|
24 |
B2 |
850 |
740 |
0.871 |
219 |
1420 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3083 |
3010 |
0.976 |
220 |
1421 |
|
|
2 |
A1 |
3078 |
3002 |
0.975 |
220 |
1422 |
|
|
3 |
A1 |
1766 |
1743 |
0.987 |
220 |
1423 |
|
|
4 |
A1 |
1499 |
1437 |
0.959 |
220 |
1424 |
|
|
5 |
A1 |
1466 |
1410 |
0.962 |
220 |
1425 |
|
|
6 |
A1 |
1109 |
1036 |
0.934 |
220 |
1426 |
|
|
7 |
A1 |
1006 |
1002 |
0.996 |
220 |
1427 |
|
|
8 |
A1 |
693 |
723 |
1.043 |
220 |
1428 |
|
|
9 |
A2 |
3175 |
3051 |
0.961 |
220 |
1429 |
|
|
10 |
A2 |
1176 |
1144 |
0.972 |
220 |
1430 |
|
|
11 |
A2 |
974 |
937 |
0.962 |
220 |
1431 |
|
|
12 |
A2 |
633 |
616 |
0.974 |
220 |
1432 |
|
|
13 |
B1 |
3191 |
3071 |
0.963 |
220 |
1433 |
|
|
14 |
B1 |
1118 |
1072 |
0.959 |
220 |
1434 |
|
|
15 |
B1 |
773 |
889 |
1.150 |
220 |
1435 |
|
|
16 |
B1 |
755 |
748 |
0.991 |
220 |
1436 |
|
|
17 |
B1 |
240 |
360 |
1.502 |
220 |
1437 |
|
|
18 |
B2 |
3189 |
3086 |
0.968 |
220 |
1438 |
|
|
19 |
B2 |
3070 |
2999 |
0.977 |
220 |
1439 |
|
|
20 |
B2 |
1476 |
1353 |
0.917 |
220 |
1440 |
|
|
21 |
B2 |
1138 |
1174 |
1.031 |
220 |
1441 |
|
|
22 |
B2 |
1124 |
1125 |
1.001 |
220 |
1442 |
|
|
23 |
B2 |
885 |
792 |
0.895 |
220 |
1443 |
|
|
24 |
B2 |
339 |
290 |
0.855 |
220 |
1444 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3453 |
3345 |
0.969 |
221 |
1445 |
|
|
2 |
A' |
3059 |
2985 |
0.976 |
221 |
1446 |
|
|
3 |
A' |
2999 |
2840 |
0.947 |
221 |
1447 |
|
|
4 |
A' |
2952 |
2860 |
0.969 |
221 |
1448 |
|
|
5 |
A' |
1723 |
1622 |
0.941 |
221 |
1449 |
|
|
6 |
A' |
1526 |
1487 |
0.975 |
221 |
1450 |
|
|
7 |
A' |
1503 |
1465 |
0.975 |
221 |
1451 |
|
|
8 |
A' |
1439 |
1378 |
0.957 |
221 |
1452 |
|
|
9 |
A' |
1405 |
1397 |
0.994 |
221 |
1453 |
|
|
10 |
A' |
1147 |
1016 |
0.886 |
221 |
1454 |
|
|
11 |
A' |
1063 |
1086 |
1.022 |
221 |
1455 |
|
|
12 |
A' |
879 |
892 |
1.015 |
221 |
1456 |
|
|
13 |
A' |
750 |
773 |
1.030 |
221 |
1457 |
|
|
14 |
A' |
391 |
403 |
1.030 |
221 |
1458 |
|
|
15 |
A" |
3589 |
3412 |
0.951 |
221 |
1459 |
|
|
16 |
A" |
3078 |
2924 |
0.950 |
221 |
1460 |
|
|
17 |
A" |
3049 |
2906 |
0.953 |
221 |
1461 |
|
|
18 |
A" |
1520 |
1455 |
0.957 |
221 |
1462 |
|
|
19 |
A" |
1381 |
1238 |
0.896 |
221 |
1463 |
|
|
20 |
A" |
1287 |
1293 |
1.005 |
221 |
1464 |
|
|
21 |
A" |
1001 |
1117 |
1.115 |
221 |
1465 |
|
|
22 |
A" |
769 |
816 |
1.062 |
221 |
1466 |
|
|
23 |
A" |
279 |
259 |
0.928 |
221 |
1467 |
|
|
24 |
A" |
240 |
218 |
0.908 |
221 |
1468 |
C4H5N |
Pyrrole |
1 |
A1 |
3637 |
3531 |
0.971 |
222 |
1469 |
|
|
2 |
A1 |
3227 |
3149 |
0.976 |
222 |
1470 |
|
|
3 |
A1 |
3200 |
3128 |
0.977 |
222 |
1471 |
|
|
4 |
A1 |
1462 |
1472 |
1.007 |
222 |
1472 |
|
|
5 |
A1 |
1389 |
1401 |
1.008 |
222 |
1473 |
|
|
6 |
A1 |
1126 |
1148 |
1.020 |
222 |
1474 |
|
|
7 |
A1 |
1090 |
1075 |
0.986 |
222 |
1475 |
|
|
8 |
A1 |
1021 |
1017 |
0.996 |
222 |
1476 |
|
|
9 |
A1 |
891 |
882 |
0.989 |
222 |
1477 |
|
|
10 |
A2 |
647 |
864 |
1.335 |
222 |
1478 |
|
|
11 |
A2 |
532 |
692 |
1.302 |
222 |
1479 |
|
|
12 |
A2 |
221i |
614 |
-2.774 |
222 |
1480 |
|
|
13 |
B1 |
684 |
827 |
1.209 |
222 |
1481 |
|
|
14 |
B1 |
627 |
722 |
1.153 |
222 |
1482 |
|
|
15 |
B1 |
579 |
621 |
1.072 |
222 |
1483 |
|
|
16 |
B1 |
462 |
475 |
1.028 |
222 |
1484 |
|
|
17 |
B2 |
3217 |
3143 |
0.977 |
222 |
1485 |
|
|
18 |
B2 |
3188 |
3119 |
0.978 |
222 |
1486 |
|
|
19 |
B2 |
1534 |
1519 |
0.990 |
222 |
1487 |
|
|
20 |
B2 |
1437 |
1424 |
0.991 |
222 |
1488 |
|
|
21 |
B2 |
1306 |
1288 |
0.987 |
222 |
1489 |
|
|
22 |
B2 |
1181 |
1134 |
0.960 |
222 |
1490 |
|
|
23 |
B2 |
1057 |
1049 |
0.992 |
222 |
1491 |
|
|
24 |
B2 |
876 |
866 |
0.989 |
222 |
1492 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3229 |
3120 |
0.966 |
223 |
1493 |
|
|
2 |
A' |
3160 |
3052 |
0.966 |
223 |
1494 |
|
|
3 |
A' |
3110 |
3044 |
0.979 |
223 |
1495 |
|
|
4 |
A' |
2020 |
2264 |
1.121 |
223 |
1496 |
|
|
5 |
A' |
1518 |
1468 |
0.967 |
223 |
1497 |
|
|
6 |
A' |
1384 |
1344 |
0.971 |
223 |
1498 |
|
|
7 |
A' |
1209 |
1195 |
0.989 |
223 |
1499 |
|
|
8 |
A' |
1151 |
1125 |
0.978 |
223 |
1500 |
|
|
9 |
A' |
1143 |
1049 |
0.918 |
223 |
1501 |
|
|
10 |
A' |
932 |
941 |
1.009 |
223 |
1502 |
|
|
11 |
A' |
824 |
808 |
0.980 |
223 |
1503 |
|
|
12 |
A' |
740 |
736 |
0.995 |
223 |
1504 |
|
|
13 |
A' |
496 |
527 |
1.062 |
223 |
1505 |
|
|
14 |
A' |
197 |
222 |
1.125 |
223 |
1506 |
|
|
15 |
A" |
3212 |
3094 |
0.963 |
223 |
1507 |
|
|
16 |
A" |
3100 |
3040 |
0.981 |
223 |
1508 |
|
|
17 |
A" |
1499 |
1442 |
0.962 |
223 |
1509 |
|
|
18 |
A" |
1231 |
1180 |
0.959 |
223 |
1510 |
|
|
19 |
A" |
1168 |
1070 |
0.916 |
223 |
1511 |
|
|
20 |
A" |
1147 |
1088 |
0.949 |
223 |
1512 |
|
|
21 |
A" |
927 |
880 |
0.949 |
223 |
1513 |
|
|
22 |
A" |
832 |
821 |
0.987 |
223 |
1514 |
|
|
23 |
A" |
512 |
543 |
1.061 |
223 |
1515 |
|
|
24 |
A" |
205 |
222 |
1.084 |
223 |
1516 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3178 |
3063 |
0.964 |
224 |
1517 |
|
|
2 |
A1 |
3158 |
3043 |
0.964 |
224 |
1518 |
|
|
3 |
A1 |
1541 |
1572 |
1.020 |
224 |
1519 |
|
|
4 |
A1 |
1412 |
1414 |
1.002 |
224 |
1520 |
|
|
5 |
A1 |
1181 |
1283 |
1.086 |
224 |
1521 |
|
|
6 |
A1 |
1136 |
1160 |
1.021 |
224 |
1522 |
|
|
7 |
A1 |
1015 |
1063 |
1.048 |
224 |
1523 |
|
|
8 |
A1 |
846 |
964 |
1.139 |
224 |
1524 |
|
|
9 |
A1 |
649 |
619 |
0.953 |
224 |
1525 |
|
|
10 |
A2 |
837 |
936 |
1.118 |
224 |
1526 |
|
|
11 |
A2 |
787 |
863 |
1.096 |
224 |
1527 |
|
|
12 |
A2 |
383 |
751 |
1.961 |
224 |
1528 |
|
|
13 |
A2 |
286i |
421 |
-1.472 |
224 |
1529 |
|
|
14 |
B1 |
803 |
|
|
224 |
1530 |
|
|
15 |
B1 |
726 |
760 |
1.046 |
224 |
1531 |
|
|
16 |
B1 |
346 |
370 |
1.071 |
224 |
1532 |
|
|
17 |
B2 |
3169 |
3075 |
0.970 |
224 |
1533 |
|
|
18 |
B2 |
3144 |
3043 |
0.968 |
224 |
1534 |
|
|
19 |
B2 |
1519 |
1565 |
1.030 |
224 |
1535 |
|
|
20 |
B2 |
1393 |
1444 |
1.037 |
224 |
1536 |
|
|
21 |
B2 |
1254 |
1239 |
0.988 |
224 |
1537 |
|
|
22 |
B2 |
1054 |
1052 |
0.998 |
224 |
1538 |
|
|
23 |
B2 |
1007 |
1009 |
1.002 |
224 |
1539 |
|
|
24 |
B2 |
608 |
664 |
1.093 |
224 |
1540 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3198 |
3082 |
0.964 |
225 |
1541 |
|
|
2 |
A1 |
3180 |
3053 |
0.960 |
225 |
1542 |
|
|
3 |
A1 |
3151 |
3049 |
0.968 |
225 |
1543 |
|
|
4 |
A1 |
1517 |
1572 |
1.036 |
225 |
1544 |
|
|
5 |
A1 |
1375 |
1465 |
1.066 |
225 |
1545 |
|
|
6 |
A1 |
1112 |
1155 |
1.039 |
225 |
1546 |
|
|
7 |
A1 |
1046 |
1065 |
1.018 |
225 |
1547 |
|
|
8 |
A1 |
928 |
969 |
1.044 |
225 |
1548 |
|
|
9 |
A1 |
663 |
679 |
1.025 |
225 |
1549 |
|
|
10 |
A2 |
860 |
960 |
1.116 |
225 |
1550 |
|
|
11 |
A2 |
396 |
398 |
1.006 |
225 |
1551 |
|
|
12 |
B1 |
905 |
1033 |
1.141 |
225 |
1552 |
|
|
13 |
B1 |
800 |
980 |
1.225 |
225 |
1553 |
|
|
14 |
B1 |
754 |
804 |
1.066 |
225 |
1554 |
|
|
15 |
B1 |
663 |
719 |
1.084 |
225 |
1555 |
|
|
16 |
B1 |
309 |
347 |
1.122 |
225 |
1556 |
|
|
17 |
B2 |
3163 |
3047 |
0.963 |
225 |
1557 |
|
|
18 |
B2 |
1532 |
1569 |
1.024 |
225 |
1558 |
|
|
19 |
B2 |
1449 |
1411 |
0.974 |
225 |
1559 |
|
|
20 |
B2 |
1380 |
1356 |
0.982 |
225 |
1560 |
|
|
21 |
B2 |
1207 |
1224 |
1.014 |
225 |
1561 |
|
|
22 |
B2 |
1159 |
1158 |
0.999 |
225 |
1562 |
|
|
23 |
B2 |
1037 |
1071 |
1.033 |
225 |
1563 |
|
|
24 |
B2 |
616 |
621 |
1.008 |
225 |
1564 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3182 |
3055 |
0.960 |
226 |
1565 |
|
|
2 |
Ag |
1524 |
1580 |
1.037 |
226 |
1566 |
|
|
3 |
Ag |
1230 |
1233 |
1.002 |
226 |
1567 |
|
|
4 |
Ag |
946 |
1016 |
1.074 |
226 |
1568 |
|
|
5 |
Ag |
596 |
602 |
1.010 |
226 |
1569 |
|
|
6 |
Au |
709 |
960 |
1.354 |
226 |
1570 |
|
|
7 |
Au |
301 |
350 |
1.161 |
226 |
1571 |
|
|
8 |
B1g |
887 |
927 |
1.045 |
226 |
1572 |
|
|
9 |
B1u |
3159 |
3012 |
0.953 |
226 |
1573 |
|
|
10 |
B1u |
1454 |
1483 |
1.020 |
226 |
1574 |
|
|
11 |
B1u |
1117 |
1130 |
1.012 |
226 |
1575 |
|
|
12 |
B1u |
979 |
1018 |
1.040 |
226 |
1576 |
|
|
13 |
B2g |
833 |
983 |
1.180 |
226 |
1577 |
|
|
14 |
B2g |
707 |
756 |
1.069 |
226 |
1578 |
|
|
15 |
B2u |
3175 |
3069 |
0.967 |
226 |
1579 |
|
|
16 |
B2u |
1397 |
1411 |
1.010 |
226 |
1580 |
|
|
17 |
B2u |
1179 |
1149 |
0.974 |
226 |
1581 |
|
|
18 |
B2u |
1043 |
1063 |
1.019 |
226 |
1582 |
|
|
19 |
B3g |
3156 |
3040 |
0.963 |
226 |
1583 |
|
|
20 |
B3g |
1463 |
1525 |
1.042 |
226 |
1584 |
|
|
21 |
B3g |
1353 |
1346 |
0.995 |
226 |
1585 |
|
|
22 |
B3g |
688 |
704 |
1.023 |
226 |
1586 |
|
|
23 |
B3u |
759 |
785 |
1.035 |
226 |
1587 |
|
|
24 |
B3u |
413 |
418 |
1.013 |
226 |
1588 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3620 |
3675 |
1.015 |
227 |
1589 |
|
|
2 |
A |
3200 |
3102 |
0.969 |
227 |
1590 |
|
|
3 |
A |
3133 |
3022 |
0.965 |
227 |
1591 |
|
|
4 |
A |
3087 |
2995 |
0.970 |
227 |
1592 |
|
|
5 |
A |
3032 |
2934 |
0.968 |
227 |
1593 |
|
|
6 |
A |
2963 |
2866 |
0.967 |
227 |
1594 |
|
|
7 |
A |
1646 |
1654 |
1.005 |
227 |
1595 |
|
|
8 |
A |
1537 |
1453 |
0.945 |
227 |
1596 |
|
|
9 |
A |
1480 |
1414 |
0.955 |
227 |
1597 |
|
|
10 |
A |
1425 |
1384 |
0.971 |
227 |
1598 |
|
|
11 |
A |
1317 |
1320 |
1.003 |
227 |
1599 |
|
|
12 |
A |
1258 |
1293 |
1.028 |
227 |
1600 |
|
|
13 |
A |
1202 |
1191 |
0.991 |
227 |
1601 |
|
|
14 |
A |
1155 |
1132 |
0.979 |
227 |
1602 |
|
|
15 |
A |
995 |
1110 |
1.116 |
227 |
1603 |
|
|
16 |
A |
978 |
1038 |
1.061 |
227 |
1604 |
|
|
17 |
A |
957 |
995 |
1.039 |
227 |
1605 |
|
|
18 |
A |
912 |
919 |
1.008 |
227 |
1606 |
|
|
19 |
A |
858 |
885 |
1.032 |
227 |
1607 |
|
|
20 |
A |
639 |
606 |
0.949 |
227 |
1608 |
|
|
22 |
A |
328 |
377 |
1.151 |
227 |
1609 |
|
|
23 |
A |
245 |
277 |
1.131 |
227 |
1610 |
|
|
24 |
A |
99 |
188 |
1.894 |
227 |
1611 |
CH3CH2CHO |
Propanal |
1 |
A' |
3088 |
2981 |
0.965 |
228 |
1612 |
|
|
2 |
A' |
2985 |
2904 |
0.973 |
228 |
1613 |
|
|
3 |
A' |
2968 |
2895 |
0.975 |
228 |
1614 |
|
|
4 |
A' |
2935 |
2809 |
0.957 |
228 |
1615 |
|
|
5 |
A' |
1584 |
1743 |
1.100 |
228 |
1616 |
|
|
6 |
A' |
1527 |
1460 |
0.956 |
228 |
1617 |
|
|
7 |
A' |
1495 |
1416 |
0.947 |
228 |
1618 |
|
|
8 |
A' |
1456 |
1390 |
0.955 |
228 |
1619 |
|
|
9 |
A' |
1413 |
1376 |
0.974 |
228 |
1620 |
|
|
10 |
A' |
1378 |
1335 |
0.969 |
228 |
1621 |
|
|
11 |
A' |
1115 |
1093 |
0.980 |
228 |
1622 |
|
|
12 |
A' |
1015 |
993 |
0.978 |
228 |
1623 |
|
|
13 |
A' |
850 |
848 |
0.998 |
228 |
1624 |
|
|
14 |
A' |
651 |
668 |
1.026 |
228 |
1625 |
|
|
15 |
A' |
256 |
271 |
1.060 |
228 |
1626 |
|
|
16 |
A" |
3096 |
2992 |
0.966 |
228 |
1627 |
|
|
17 |
A" |
3017 |
2942 |
0.975 |
228 |
1628 |
|
|
18 |
A" |
1520 |
1451 |
0.954 |
228 |
1629 |
|
|
19 |
A" |
1276 |
1250 |
0.979 |
228 |
1630 |
|
|
20 |
A" |
1160 |
1118 |
0.964 |
228 |
1631 |
|
|
21 |
A" |
889 |
892 |
1.004 |
228 |
1632 |
|
|
22 |
A" |
693 |
660 |
0.952 |
228 |
1633 |
|
|
23 |
A" |
222 |
220 |
0.989 |
228 |
1634 |
|
|
24 |
A" |
127 |
135 |
1.062 |
228 |
1635 |
C3H6O |
Oxetane |
1 |
A1 |
3036 |
2959 |
0.975 |
229 |
1636 |
|
|
2 |
A1 |
3018 |
2930 |
0.971 |
229 |
1637 |
|
|
3 |
A1 |
1553 |
1473 |
0.948 |
229 |
1638 |
|
|
4 |
A1 |
1518 |
1461 |
0.963 |
229 |
1639 |
|
|
5 |
A1 |
1379 |
1342 |
0.973 |
229 |
1640 |
|
|
6 |
A1 |
999 |
1134 |
1.135 |
229 |
1641 |
|
|
7 |
A1 |
827 |
1018 |
1.232 |
229 |
1642 |
|
|
8 |
A1 |
757 |
908 |
1.200 |
229 |
1643 |
|
|
9 |
A2 |
3100 |
3000 |
0.968 |
229 |
1644 |
|
|
10 |
A2 |
1247 |
1283 |
1.029 |
229 |
1645 |
|
|
11 |
A2 |
1105 |
1185 |
1.072 |
229 |
1646 |
|
|
12 |
A2 |
856 |
986 |
1.152 |
229 |
1647 |
|
|
13 |
B1 |
3120 |
3007 |
0.964 |
229 |
1648 |
|
|
14 |
B1 |
3088 |
2940 |
0.952 |
229 |
1649 |
|
|
15 |
B1 |
1201 |
1225 |
1.020 |
229 |
1650 |
|
|
16 |
B1 |
1089 |
1142 |
1.048 |
229 |
1651 |
|
|
17 |
B1 |
777 |
836 |
1.076 |
229 |
1652 |
|
|
18 |
B1 |
88i |
90 |
-1.024 |
229 |
1653 |
|
|
19 |
B2 |
3017 |
2966 |
0.983 |
229 |
1654 |
|
|
20 |
B2 |
1528 |
1508 |
0.987 |
229 |
1655 |
|
|
21 |
B2 |
1312 |
1458 |
1.112 |
229 |
1656 |
|
|
22 |
B2 |
1289 |
1363 |
1.058 |
229 |
1657 |
|
|
23 |
B2 |
969 |
1228 |
1.267 |
229 |
1658 |
|
|
24 |
B2 |
901 |
936 |
1.039 |
229 |
1659 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3143 |
3018 |
0.960 |
230 |
1660 |
|
|
2 |
A |
3119 |
2985 |
0.957 |
230 |
1661 |
|
|
3 |
A |
3061 |
2958 |
0.966 |
230 |
1662 |
|
|
4 |
A |
2990 |
2945 |
0.985 |
230 |
1663 |
|
|
5 |
A |
2957 |
2922 |
0.988 |
230 |
1664 |
|
|
6 |
A |
2010 |
2245 |
1.117 |
230 |
1665 |
|
|
7 |
A |
1529 |
1472 |
0.963 |
230 |
1666 |
|
|
8 |
A |
1513 |
1452 |
0.960 |
230 |
1667 |
|
|
9 |
A |
1504 |
1439 |
0.957 |
230 |
1668 |
|
|
10 |
A |
1486 |
1431 |
0.963 |
230 |
1669 |
|
|
11 |
A |
1391 |
1368 |
0.984 |
230 |
1670 |
|
|
12 |
A |
1271 |
1287 |
1.013 |
230 |
1671 |
|
|
13 |
A |
1184 |
1199 |
1.013 |
230 |
1672 |
|
|
14 |
A |
1152 |
1161 |
1.008 |
230 |
1673 |
|
|
15 |
A |
1080 |
1127 |
1.043 |
230 |
1674 |
|
|
16 |
A |
1018 |
1016 |
0.998 |
230 |
1675 |
|
|
17 |
A |
878 |
925 |
1.053 |
230 |
1676 |
|
|
18 |
A |
834 |
890 |
1.067 |
230 |
1677 |
|
|
19 |
A |
559 |
586 |
1.049 |
230 |
1678 |
|
|
20 |
A |
361 |
404 |
1.120 |
230 |
1679 |
|
|
21 |
A |
311 |
347 |
1.116 |
230 |
1680 |
|
|
22 |
A |
236 |
243 |
1.029 |
230 |
1681 |
|
|
23 |
A |
169 |
170 |
1.005 |
230 |
1682 |
|
|
24 |
A |
108 |
113 |
1.045 |
230 |
1683 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3136 |
2990 |
0.953 |
231 |
1684 |
|
|
2 |
A |
3122 |
2983 |
0.955 |
231 |
1685 |
|
|
3 |
A |
2995 |
2913 |
0.973 |
231 |
1686 |
|
|
4 |
A |
1479 |
1426 |
0.964 |
231 |
1687 |
|
|
5 |
A |
1464 |
1419 |
0.969 |
231 |
1688 |
|
|
6 |
A |
1408 |
1311 |
0.931 |
231 |
1689 |
|
|
7 |
A |
1002 |
955 |
0.953 |
231 |
1690 |
|
|
8 |
A |
994 |
949 |
0.955 |
231 |
1691 |
|
|
9 |
A |
663 |
694 |
1.046 |
231 |
1692 |
|
|
10 |
A |
428 |
509 |
1.190 |
231 |
1693 |
|
|
11 |
A |
198 |
240 |
1.209 |
231 |
1694 |
|
|
12 |
A |
145 |
134 |
0.924 |
231 |
1695 |
|
|
13 |
A |
75 |
117 |
1.550 |
231 |
1696 |
|
|
14 |
B |
3136 |
2990 |
0.954 |
231 |
1697 |
|
|
15 |
B |
3121 |
2983 |
0.956 |
231 |
1698 |
|
|
16 |
B |
2994 |
2915 |
0.974 |
231 |
1699 |
|
|
17 |
B |
1482 |
1430 |
0.965 |
231 |
1700 |
|
|
18 |
B |
1458 |
1415 |
0.970 |
231 |
1701 |
|
|
19 |
B |
1402 |
1303 |
0.930 |
231 |
1702 |
|
|
20 |
B |
999 |
955 |
0.956 |
231 |
1703 |
|
|
21 |
B |
996 |
949 |
0.952 |
231 |
1704 |
|
|
22 |
B |
660 |
691 |
1.047 |
231 |
1705 |
|
|
23 |
B |
222 |
274 |
1.234 |
231 |
1706 |
|
|
24 |
B |
159 |
134 |
0.844 |
231 |
1707 |
C3H8 |
Propane |
1 |
A1 |
3065 |
2977 |
0.971 |
232 |
1708 |
|
|
2 |
A1 |
2972 |
2962 |
0.997 |
232 |
1709 |
|
|
3 |
A1 |
2957 |
2887 |
0.976 |
232 |
1710 |
|
|
4 |
A1 |
1539 |
1476 |
0.959 |
232 |
1711 |
|
|
5 |
A1 |
1511 |
1462 |
0.968 |
232 |
1712 |
|
|
6 |
A1 |
1458 |
1392 |
0.955 |
232 |
1713 |
|
|
7 |
A1 |
1198 |
1158 |
0.967 |
232 |
1714 |
|
|
8 |
A1 |
867 |
869 |
1.002 |
232 |
1715 |
|
|
9 |
A1 |
361 |
369 |
1.023 |
232 |
1716 |
|
|
10 |
A2 |
3053 |
2967 |
0.972 |
232 |
1717 |
|
|
11 |
A2 |
1514 |
1451 |
0.958 |
232 |
1718 |
|
|
12 |
A2 |
1311 |
1278 |
0.975 |
232 |
1719 |
|
|
13 |
A2 |
913 |
940 |
1.030 |
232 |
1720 |
|
|
14 |
A2 |
209 |
216 |
1.032 |
232 |
1721 |
|
|
15 |
B1 |
3067 |
2973 |
0.969 |
232 |
1722 |
|
|
16 |
B1 |
3020 |
2968 |
0.983 |
232 |
1723 |
|
|
17 |
B1 |
1531 |
1472 |
0.962 |
232 |
1724 |
|
|
18 |
B1 |
1245 |
1192 |
0.957 |
232 |
1725 |
|
|
19 |
B1 |
747 |
748 |
1.001 |
232 |
1726 |
|
|
20 |
B1 |
269 |
268 |
0.996 |
232 |
1727 |
|
|
21 |
B2 |
3061 |
2968 |
0.970 |
232 |
1728 |
|
|
22 |
B2 |
2956 |
2887 |
0.977 |
232 |
1729 |
|
|
23 |
B2 |
1519 |
1464 |
0.964 |
232 |
1730 |
|
|
24 |
B2 |
1437 |
1378 |
0.959 |
232 |
1731 |
|
|
25 |
B2 |
1395 |
1338 |
0.959 |
232 |
1732 |
|
|
26 |
B2 |
1069 |
1054 |
0.986 |
232 |
1733 |
|
|
27 |
B2 |
929 |
922 |
0.993 |
232 |
1734 |
C5H5N |
Pyridine |
1 |
A1 |
3169 |
3094 |
0.976 |
233 |
1735 |
|
|
2 |
A1 |
3149 |
3073 |
0.976 |
233 |
1736 |
|
|
3 |
A1 |
3129 |
3030 |
0.968 |
233 |
1737 |
|
|
4 |
A1 |
1564 |
1584 |
1.013 |
233 |
1738 |
|
|
5 |
A1 |
1467 |
1483 |
1.011 |
233 |
1739 |
|
|
6 |
A1 |
1223 |
1218 |
0.996 |
233 |
1740 |
|
|
7 |
A1 |
1067 |
1072 |
1.005 |
233 |
1741 |
|
|
8 |
A1 |
1020 |
1032 |
1.012 |
233 |
1742 |
|
|
9 |
A1 |
938 |
991 |
1.057 |
233 |
1743 |
|
|
10 |
A1 |
603 |
601 |
0.998 |
233 |
1744 |
|
|
11 |
A2 |
844 |
980 |
1.161 |
233 |
1745 |
|
|
12 |
A2 |
730 |
880 |
1.205 |
233 |
1746 |
|
|
13 |
A2 |
338 |
373 |
1.103 |
233 |
1747 |
|
|
14 |
B1 |
829 |
1007 |
1.215 |
233 |
1748 |
|
|
15 |
B1 |
789 |
937 |
1.187 |
233 |
1749 |
|
|
16 |
B1 |
694 |
744 |
1.072 |
233 |
1750 |
|
|
17 |
B1 |
492 |
700 |
1.424 |
233 |
1751 |
|
|
18 |
B1 |
250 |
403 |
1.616 |
233 |
1752 |
|
|
19 |
B2 |
3159 |
3087 |
0.977 |
233 |
1753 |
|
|
20 |
B2 |
3139 |
3042 |
0.969 |
233 |
1754 |
|
|
21 |
B2 |
1554 |
1581 |
1.017 |
233 |
1755 |
|
|
22 |
B2 |
1434 |
1442 |
1.006 |
233 |
1756 |
|
|
23 |
B2 |
1375 |
1362 |
0.991 |
233 |
1757 |
|
|
24 |
B2 |
1258 |
1227 |
0.975 |
233 |
1758 |
|
|
25 |
B2 |
1179 |
1143 |
0.969 |
233 |
1759 |
|
|
26 |
B2 |
1045 |
1079 |
1.033 |
233 |
1760 |
|
|
27 |
B2 |
647 |
652 |
1.008 |
233 |
1761 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3127 |
3058 |
0.978 |
234 |
1762 |
|
|
2 |
A' |
3088 |
2995 |
0.970 |
234 |
1763 |
|
|
3 |
A' |
3071 |
2963 |
0.965 |
234 |
1764 |
|
|
4 |
A' |
2965 |
2938 |
0.991 |
234 |
1765 |
|
|
5 |
A' |
2930 |
2805 |
0.957 |
234 |
1766 |
|
|
6 |
A' |
1656 |
1720 |
1.038 |
234 |
1767 |
|
|
7 |
A' |
1555 |
1649 |
1.060 |
234 |
1768 |
|
|
8 |
A' |
1521 |
1455 |
0.956 |
234 |
1769 |
|
|
9 |
A' |
1461 |
1391 |
0.952 |
234 |
1770 |
|
|
10 |
A' |
1398 |
1375 |
0.983 |
234 |
1771 |
|
|
11 |
A' |
1330 |
1304 |
0.980 |
234 |
1772 |
|
|
12 |
A' |
1296 |
1253 |
0.967 |
234 |
1773 |
|
|
13 |
A' |
1175 |
1147 |
0.976 |
234 |
1774 |
|
|
14 |
A' |
1087 |
1074 |
0.988 |
234 |
1775 |
|
|
15 |
A' |
948 |
973 |
1.026 |
234 |
1776 |
|
|
16 |
A' |
519 |
539 |
1.038 |
234 |
1777 |
|
|
17 |
A' |
451 |
464 |
1.028 |
234 |
1778 |
|
|
18 |
A' |
199 |
230 |
1.155 |
234 |
1779 |
|
|
19 |
A" |
3057 |
2980 |
0.975 |
234 |
1780 |
|
|
20 |
A" |
1494 |
1455 |
0.974 |
234 |
1781 |
|
|
21 |
A" |
1084 |
1042 |
0.961 |
234 |
1782 |
|
|
22 |
A" |
966 |
973 |
1.007 |
234 |
1783 |
|
|
23 |
A" |
936 |
928 |
0.991 |
234 |
1784 |
|
|
24 |
A" |
732 |
780 |
1.066 |
234 |
1785 |
|
|
25 |
A" |
268 |
295 |
1.100 |
234 |
1786 |
|
|
26 |
A" |
171 |
173 |
1.012 |
234 |
1787 |
|
|
27 |
A" |
119 |
122 |
1.026 |
234 |
1788 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3167 |
3035 |
0.958 |
235 |
1789 |
|
|
2 |
A' |
3138 |
3031 |
0.966 |
235 |
1790 |
|
|
3 |
A' |
3004 |
2966 |
0.987 |
235 |
1791 |
|
|
4 |
A' |
3003 |
2964 |
0.987 |
235 |
1792 |
|
|
5 |
A' |
1627 |
1771 |
1.089 |
235 |
1793 |
|
|
6 |
A' |
1524 |
1460 |
0.958 |
235 |
1794 |
|
|
7 |
A' |
1509 |
1440 |
0.954 |
235 |
1795 |
|
|
8 |
A' |
1477 |
1430 |
0.968 |
235 |
1796 |
|
|
9 |
A' |
1451 |
1375 |
0.948 |
235 |
1797 |
|
|
10 |
A' |
1241 |
1248 |
1.005 |
235 |
1798 |
|
|
11 |
A' |
1191 |
1159 |
0.973 |
235 |
1799 |
|
|
12 |
A' |
1051 |
1060 |
1.009 |
235 |
1800 |
|
|
13 |
A' |
956 |
980 |
1.026 |
235 |
1801 |
|
|
14 |
A' |
775 |
844 |
1.088 |
235 |
1802 |
|
|
15 |
A' |
609 |
639 |
1.049 |
235 |
1803 |
|
|
16 |
A' |
404 |
429 |
1.062 |
235 |
1804 |
|
|
17 |
A' |
263 |
303 |
1.153 |
235 |
1805 |
|
|
18 |
A" |
3124 |
3005 |
0.962 |
235 |
1806 |
|
|
19 |
A" |
3109 |
2994 |
0.963 |
235 |
1807 |
|
|
20 |
A" |
1504 |
1460 |
0.971 |
235 |
1808 |
|
|
21 |
A" |
1497 |
1430 |
0.955 |
235 |
1809 |
|
|
22 |
A" |
1151 |
1187 |
1.031 |
235 |
1810 |
|
|
23 |
A" |
1087 |
1036 |
0.953 |
235 |
1811 |
|
|
24 |
A" |
555 |
607 |
1.093 |
235 |
1812 |
|
|
25 |
A" |
175 |
187 |
1.069 |
235 |
1813 |
|
|
26 |
A" |
128 |
136 |
1.065 |
235 |
1814 |
|
|
27 |
A" |
50 |
110 |
2.220 |
235 |
1815 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3105 |
3005 |
0.968 |
236 |
1816 |
|
|
2 |
A' |
3081 |
2955 |
0.959 |
236 |
1817 |
|
|
3 |
A' |
3063 |
2927 |
0.956 |
236 |
1818 |
|
|
4 |
A' |
2973 |
2878 |
0.968 |
236 |
1819 |
|
|
5 |
A' |
1527 |
1472 |
0.964 |
236 |
1820 |
|
|
6 |
A' |
1518 |
1454 |
0.958 |
236 |
1821 |
|
|
7 |
A' |
1464 |
1390 |
0.949 |
236 |
1822 |
|
|
8 |
A' |
1310 |
1270 |
0.970 |
236 |
1823 |
|
|
9 |
A' |
1219 |
1163 |
0.954 |
236 |
1824 |
|
|
10 |
A' |
1091 |
1065 |
0.976 |
236 |
1825 |
|
|
11 |
A' |
892 |
888 |
0.995 |
236 |
1826 |
|
|
12 |
A' |
585 |
633 |
1.081 |
236 |
1827 |
|
|
13 |
A' |
408 |
418 |
1.025 |
236 |
1828 |
|
|
14 |
A' |
327 |
336 |
1.026 |
236 |
1829 |
|
|
15 |
A' |
267 |
253 |
0.949 |
236 |
1830 |
|
|
16 |
A" |
3097 |
2997 |
0.968 |
236 |
1831 |
|
|
17 |
A" |
3072 |
2985 |
0.972 |
236 |
1832 |
|
|
18 |
A" |
2969 |
2947 |
0.993 |
236 |
1833 |
|
|
19 |
A" |
1509 |
1472 |
0.975 |
236 |
1834 |
|
|
20 |
A" |
1502 |
1454 |
0.968 |
236 |
1835 |
|
|
21 |
A" |
1445 |
1377 |
0.953 |
236 |
1836 |
|
|
22 |
A" |
1375 |
1334 |
0.970 |
236 |
1837 |
|
|
23 |
A" |
1163 |
1123 |
0.966 |
236 |
1838 |
|
|
24 |
A" |
971 |
972 |
1.001 |
236 |
1839 |
|
|
25 |
A" |
952 |
936 |
0.983 |
236 |
1840 |
|
|
26 |
A" |
308 |
317 |
1.030 |
236 |
1841 |
|
|
27 |
A" |
229 |
276 |
1.203 |
236 |
1842 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3167 |
3022 |
0.954 |
237 |
1843 |
|
|
2 |
A |
3107 |
3004 |
0.967 |
237 |
1844 |
|
|
3 |
A |
3099 |
2991 |
0.965 |
237 |
1845 |
|
|
4 |
A |
3084 |
2970 |
0.963 |
237 |
1846 |
|
|
5 |
A |
3065 |
2949 |
0.962 |
237 |
1847 |
|
|
6 |
A |
2985 |
2908 |
0.974 |
237 |
1848 |
|
|
7 |
A |
1519 |
1462 |
0.963 |
237 |
1849 |
|
|
8 |
A |
1516 |
1459 |
0.962 |
237 |
1850 |
|
|
9 |
A |
1493 |
1446 |
0.969 |
237 |
1851 |
|
|
10 |
A |
1460 |
1391 |
0.953 |
237 |
1852 |
|
|
11 |
A |
1398 |
1347 |
0.963 |
237 |
1853 |
|
|
12 |
A |
1352 |
1286 |
0.951 |
237 |
1854 |
|
|
13 |
A |
1284 |
1238 |
0.964 |
237 |
1855 |
|
|
14 |
A |
1237 |
1181 |
0.955 |
237 |
1856 |
|
|
15 |
A |
1166 |
1120 |
0.960 |
237 |
1857 |
|
|
16 |
A |
1098 |
1076 |
0.980 |
237 |
1858 |
|
|
17 |
A |
1050 |
1023 |
0.974 |
237 |
1859 |
|
|
18 |
A |
926 |
890 |
0.961 |
237 |
1860 |
|
|
19 |
A |
878 |
850 |
0.968 |
237 |
1861 |
|
|
20 |
A |
708 |
750 |
1.060 |
237 |
1862 |
|
|
21 |
A |
637 |
685 |
1.075 |
237 |
1863 |
|
|
22 |
A |
398 |
417 |
1.049 |
237 |
1864 |
|
|
23 |
A |
338 |
358 |
1.061 |
237 |
1865 |
|
|
24 |
A |
267 |
285 |
1.069 |
237 |
1866 |
|
|
25 |
A |
245 |
250 |
1.022 |
237 |
1867 |
|
|
26 |
A |
194 |
203 |
1.048 |
237 |
1868 |
|
|
27 |
A |
102 |
108 |
1.054 |
237 |
1869 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3080 |
2989 |
0.970 |
238 |
1870 |
|
|
2 |
A1 |
3074 |
2941 |
0.957 |
238 |
1871 |
|
|
3 |
A1 |
2956 |
2911 |
0.985 |
238 |
1872 |
|
|
4 |
A1 |
1660 |
1661 |
1.000 |
238 |
1873 |
|
|
5 |
A1 |
1535 |
1470 |
0.958 |
238 |
1874 |
|
|
6 |
A1 |
1470 |
1416 |
0.964 |
238 |
1875 |
|
|
7 |
A1 |
1453 |
1366 |
0.940 |
238 |
1876 |
|
|
8 |
A1 |
1098 |
1064 |
0.969 |
238 |
1877 |
|
|
9 |
A1 |
794 |
801 |
1.009 |
238 |
1878 |
|
|
10 |
A1 |
373 |
383 |
1.028 |
238 |
1879 |
|
|
11 |
A2 |
3039 |
2970 |
0.977 |
238 |
1880 |
|
|
12 |
A2 |
1490 |
1459 |
0.979 |
238 |
1881 |
|
|
13 |
A2 |
1029 |
1076 |
1.046 |
238 |
1882 |
|
|
14 |
A2 |
685 |
|
|
238 |
1883 |
|
|
15 |
A2 |
137 |
193 |
1.412 |
238 |
1884 |
|
|
16 |
B1 |
3043 |
2945 |
0.968 |
238 |
1885 |
|
|
17 |
B1 |
1503 |
1444 |
0.961 |
238 |
1886 |
|
|
18 |
B1 |
1126 |
1079 |
0.958 |
238 |
1887 |
|
|
19 |
B1 |
765 |
890 |
1.163 |
238 |
1888 |
|
|
20 |
B1 |
418 |
429 |
1.025 |
238 |
1889 |
|
|
21 |
B1 |
183 |
196 |
1.073 |
238 |
1890 |
|
|
22 |
B2 |
3185 |
3086 |
0.969 |
238 |
1891 |
|
|
23 |
B2 |
3071 |
2980 |
0.970 |
238 |
1892 |
|
|
24 |
B2 |
2952 |
2893 |
0.980 |
238 |
1893 |
|
|
25 |
B2 |
1523 |
1458 |
0.957 |
238 |
1894 |
|
|
26 |
B2 |
1448 |
1381 |
0.954 |
238 |
1895 |
|
|
27 |
B2 |
1308 |
1282 |
0.980 |
238 |
1896 |
|
|
28 |
B2 |
991 |
1043 |
1.052 |
238 |
1897 |
|
|
29 |
B2 |
982 |
974 |
0.992 |
238 |
1898 |
|
|
30 |
B2 |
431 |
430 |
0.997 |
238 |
1899 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3203 |
3088 |
0.964 |
239 |
1900 |
|
|
2 |
A |
3120 |
3017 |
0.967 |
239 |
1901 |
|
|
3 |
A |
3101 |
3011 |
0.971 |
239 |
1902 |
|
|
4 |
A |
3088 |
2990 |
0.968 |
239 |
1903 |
|
|
5 |
A |
3080 |
2974 |
0.966 |
239 |
1904 |
|
|
6 |
A |
3064 |
2967 |
0.968 |
239 |
1905 |
|
|
7 |
A |
2973 |
2927 |
0.985 |
239 |
1906 |
|
|
8 |
A |
1632 |
1645 |
1.008 |
239 |
1907 |
|
|
9 |
A |
1523 |
1452 |
0.953 |
239 |
1908 |
|
|
10 |
A |
1507 |
1447 |
0.960 |
239 |
1909 |
|
|
11 |
A |
1474 |
1424 |
0.966 |
239 |
1910 |
|
|
12 |
A |
1452 |
1375 |
0.947 |
239 |
1911 |
|
|
13 |
A |
1342 |
1297 |
0.967 |
239 |
1912 |
|
|
14 |
A |
1318 |
1283 |
0.973 |
239 |
1913 |
|
|
15 |
A |
1281 |
1233 |
0.963 |
239 |
1914 |
|
|
16 |
A |
1211 |
1174 |
0.969 |
239 |
1915 |
|
|
17 |
A |
1121 |
1090 |
0.972 |
239 |
1916 |
|
|
18 |
A |
1059 |
1025 |
0.968 |
239 |
1917 |
|
|
19 |
A |
993 |
988 |
0.994 |
239 |
1918 |
|
|
20 |
A |
983 |
966 |
0.983 |
239 |
1919 |
|
|
21 |
A |
875 |
931 |
1.064 |
239 |
1920 |
|
|
22 |
A |
872 |
864 |
0.990 |
239 |
1921 |
|
|
23 |
A |
705 |
708 |
1.004 |
239 |
1922 |
|
|
24 |
A |
603 |
625 |
1.037 |
239 |
1923 |
|
|
25 |
A |
441 |
456 |
1.034 |
239 |
1924 |
|
|
26 |
A |
311 |
319 |
1.026 |
239 |
1925 |
|
|
27 |
A |
294 |
305 |
1.037 |
239 |
1926 |
|
|
28 |
A |
267 |
283 |
1.059 |
239 |
1927 |
|
|
29 |
A |
245 |
245 |
1.002 |
239 |
1928 |
|
|
30 |
A |
91 |
92 |
1.016 |
239 |
1929 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3201 |
3095 |
0.967 |
240 |
1930 |
|
|
2 |
A' |
3187 |
3095 |
0.971 |
240 |
1931 |
|
|
3 |
A' |
3102 |
3000 |
0.967 |
240 |
1932 |
|
|
4 |
A' |
3084 |
3000 |
0.973 |
240 |
1933 |
|
|
5 |
A' |
3081 |
3000 |
0.974 |
240 |
1934 |
|
|
6 |
A' |
3079 |
2984 |
0.969 |
240 |
1935 |
|
|
7 |
A' |
2964 |
2904 |
0.980 |
240 |
1936 |
|
|
8 |
A' |
1650 |
1638 |
0.993 |
240 |
1937 |
|
|
9 |
A' |
1603 |
1607 |
1.003 |
240 |
1938 |
|
|
10 |
A' |
1535 |
1464 |
0.954 |
240 |
1939 |
|
|
11 |
A' |
1483 |
1420 |
0.958 |
240 |
1940 |
|
|
12 |
A' |
1453 |
1389 |
0.956 |
240 |
1941 |
|
|
13 |
A' |
1435 |
1363 |
0.950 |
240 |
1942 |
|
|
14 |
A' |
1338 |
1313 |
0.981 |
240 |
1943 |
|
|
15 |
A' |
1322 |
1303 |
0.985 |
240 |
1944 |
|
|
16 |
A' |
1097 |
1072 |
0.977 |
240 |
1945 |
|
|
17 |
A' |
1024 |
1012 |
0.988 |
240 |
1946 |
|
|
18 |
A' |
966 |
953 |
0.986 |
240 |
1947 |
|
|
19 |
A' |
769 |
770 |
1.002 |
240 |
1948 |
|
|
20 |
A' |
526 |
530 |
1.008 |
240 |
1949 |
|
|
21 |
A' |
420 |
396 |
0.943 |
240 |
1950 |
|
|
22 |
A' |
275 |
196 |
0.711 |
240 |
1951 |
|
|
23 |
A" |
3055 |
2949 |
0.965 |
240 |
1952 |
|
|
24 |
A" |
1499 |
1451 |
0.968 |
240 |
1953 |
|
|
25 |
A" |
1069 |
1034 |
0.968 |
240 |
1954 |
|
|
26 |
A" |
937 |
991 |
1.058 |
240 |
1955 |
|
|
27 |
A" |
799 |
907 |
1.135 |
240 |
1956 |
|
|
28 |
A" |
784 |
907 |
1.157 |
240 |
1957 |
|
|
29 |
A" |
704 |
757 |
1.076 |
240 |
1958 |
|
|
30 |
A" |
561 |
615 |
1.096 |
240 |
1959 |
|
|
31 |
A" |
357 |
290 |
0.813 |
240 |
1960 |
|
|
32 |
A" |
198 |
153 |
0.773 |
240 |
1961 |
C5H8 |
Cyclopentene |
1 |
A' |
3161 |
3066 |
0.970 |
241 |
1962 |
|
|
2 |
A' |
3068 |
2958 |
0.964 |
241 |
1963 |
|
|
3 |
A' |
3029 |
2916 |
0.963 |
241 |
1964 |
|
|
4 |
A' |
2994 |
2902 |
0.969 |
241 |
1965 |
|
|
5 |
A' |
2968 |
2852 |
0.961 |
241 |
1966 |
|
|
6 |
A' |
1600 |
1616 |
1.010 |
241 |
1967 |
|
|
7 |
A' |
1531 |
1467 |
0.958 |
241 |
1968 |
|
|
8 |
A' |
1508 |
1449 |
0.961 |
241 |
1969 |
|
|
9 |
A' |
1349 |
1302 |
0.965 |
241 |
1970 |
|
|
10 |
A' |
1232 |
1284 |
1.042 |
241 |
1971 |
|
|
11 |
A' |
1133 |
1213 |
1.070 |
241 |
1972 |
|
|
12 |
A' |
1093 |
1048 |
0.959 |
241 |
1973 |
|
|
13 |
A' |
966 |
964 |
0.998 |
241 |
1974 |
|
|
14 |
A' |
888 |
962 |
1.084 |
241 |
1975 |
|
|
15 |
A' |
814 |
904 |
1.111 |
241 |
1976 |
|
|
16 |
A' |
704 |
692 |
0.982 |
241 |
1977 |
|
|
17 |
A' |
615 |
603 |
0.980 |
241 |
1978 |
|
|
18 |
A' |
129 |
254 |
1.972 |
241 |
1979 |
|
|
19 |
A" |
3128 |
3039 |
0.972 |
241 |
1980 |
|
|
20 |
A" |
3031 |
2967 |
0.979 |
241 |
1981 |
|
|
21 |
A" |
2970 |
2927 |
0.986 |
241 |
1982 |
|
|
22 |
A" |
1520 |
1467 |
0.965 |
241 |
1983 |
|
|
23 |
A" |
1378 |
1432 |
1.039 |
241 |
1984 |
|
|
24 |
A" |
1336 |
1356 |
1.015 |
241 |
1985 |
|
|
25 |
A" |
1326 |
1302 |
0.982 |
241 |
1986 |
|
|
26 |
A" |
1218 |
1297 |
1.065 |
241 |
1987 |
|
|
27 |
A" |
1154 |
1207 |
1.046 |
241 |
1988 |
|
|
28 |
A" |
1049 |
1113 |
1.061 |
241 |
1989 |
|
|
29 |
A" |
936 |
1082 |
1.156 |
241 |
1990 |
|
|
30 |
A" |
898 |
937 |
1.043 |
241 |
1991 |
|
|
31 |
A" |
886 |
800 |
0.903 |
241 |
1992 |
|
|
32 |
A" |
766 |
702 |
0.916 |
241 |
1993 |
|
|
33 |
A" |
378 |
387 |
1.023 |
241 |
1994 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3192 |
3080 |
0.965 |
242 |
1995 |
|
|
2 |
A |
3098 |
3012 |
0.972 |
242 |
1996 |
|
|
3 |
A |
3078 |
3012 |
0.979 |
242 |
1997 |
|
|
4 |
A |
2962 |
2900 |
0.979 |
242 |
1998 |
|
|
5 |
A |
1635 |
1644 |
1.005 |
242 |
1999 |
|
|
6 |
A |
1503 |
1433 |
0.954 |
242 |
2000 |
|
|
7 |
A |
1463 |
1413 |
0.966 |
242 |
2001 |
|
|
8 |
A |
1319 |
1295 |
0.982 |
242 |
2002 |
|
|
9 |
A |
1263 |
1263 |
1.000 |
242 |
2003 |
|
|
10 |
A |
1075 |
1120 |
1.042 |
242 |
2004 |
|
|
11 |
A |
975 |
995 |
1.021 |
242 |
2005 |
|
|
12 |
A |
904 |
918 |
1.015 |
242 |
2006 |
|
|
13 |
A |
837 |
876 |
1.047 |
242 |
2007 |
|
|
14 |
A |
645 |
562 |
0.871 |
242 |
2008 |
|
|
15 |
A |
365 |
421 |
1.153 |
242 |
2009 |
|
|
16 |
A |
282 |
137 |
0.486 |
242 |
2010 |
|
|
17 |
A |
80 |
102 |
1.281 |
242 |
2011 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3085 |
2987 |
0.968 |
243 |
2012 |
|
|
2 |
A1 |
3077 |
2941 |
0.956 |
243 |
2013 |
|
|
3 |
A1 |
2955 |
2916 |
0.987 |
243 |
2014 |
|
|
4 |
A1 |
1958 |
1996 |
1.019 |
243 |
2015 |
|
|
5 |
A1 |
1537 |
1470 |
0.956 |
243 |
2016 |
|
|
6 |
A1 |
1507 |
1438 |
0.954 |
243 |
2017 |
|
|
7 |
A1 |
1457 |
1369 |
0.940 |
243 |
2018 |
|
|
8 |
A1 |
1308 |
1286 |
0.984 |
243 |
2019 |
|
|
9 |
A1 |
1032 |
973 |
0.943 |
243 |
2020 |
|
|
10 |
A1 |
707 |
726 |
1.027 |
243 |
2021 |
|
|
11 |
A1 |
340 |
349 |
1.028 |
243 |
2022 |
|
|
12 |
A2 |
3040 |
2941 |
0.967 |
243 |
2023 |
|
|
13 |
A2 |
1498 |
1470 |
0.981 |
243 |
2024 |
|
|
14 |
A2 |
1026 |
985 |
0.960 |
243 |
2025 |
|
|
15 |
A2 |
626 |
617 |
0.985 |
243 |
2026 |
|
|
17 |
B1 |
3175 |
3051 |
0.961 |
243 |
2027 |
|
|
18 |
B1 |
3043 |
2941 |
0.966 |
243 |
2028 |
|
|
19 |
B1 |
1511 |
1470 |
0.973 |
243 |
2029 |
|
|
20 |
B1 |
1131 |
1068 |
0.945 |
243 |
2030 |
|
|
21 |
B1 |
1066 |
1004 |
0.942 |
243 |
2031 |
|
|
22 |
B1 |
456 |
443 |
0.972 |
243 |
2032 |
|
|
23 |
B1 |
251 |
187 |
0.744 |
243 |
2033 |
|
|
25 |
B2 |
3083 |
2941 |
0.954 |
243 |
2034 |
|
|
26 |
B2 |
2952 |
2916 |
0.988 |
243 |
2035 |
|
|
27 |
B2 |
1521 |
1470 |
0.967 |
243 |
2036 |
|
|
28 |
B2 |
1439 |
1369 |
0.951 |
243 |
2037 |
|
|
29 |
B2 |
1227 |
1191 |
0.970 |
243 |
2038 |
|
|
30 |
B2 |
990 |
968 |
0.978 |
243 |
2039 |
|
|
31 |
B2 |
913 |
848 |
0.929 |
243 |
2040 |
|
|
32 |
B2 |
594 |
554 |
0.933 |
243 |
2041 |
|
|
33 |
B2 |
177 |
187 |
1.059 |
243 |
2042 |
C5H8 |
Spiropentane |
1 |
A1 |
3082 |
3000 |
0.973 |
244 |
2043 |
|
|
2 |
A1 |
1514 |
1423 |
0.940 |
244 |
2044 |
|
|
3 |
A1 |
1133 |
1160 |
1.024 |
244 |
2045 |
|
|
4 |
A1 |
1021 |
1037 |
1.015 |
244 |
2046 |
|
|
5 |
A1 |
567 |
588 |
1.037 |
244 |
2047 |
|
|
6 |
A2 |
3180 |
3070 |
0.965 |
244 |
2048 |
|
|
7 |
A2 |
1189 |
1174 |
0.987 |
244 |
2049 |
|
|
8 |
A2 |
881 |
919 |
1.043 |
244 |
2050 |
|
|
9 |
B1 |
3180 |
3066 |
0.964 |
244 |
2051 |
|
|
10 |
B1 |
1198 |
1166 |
0.973 |
244 |
2052 |
|
|
11 |
B1 |
1059 |
888 |
0.839 |
244 |
2053 |
|
|
12 |
B1 |
297 |
300 |
1.011 |
244 |
2054 |
|
|
13 |
B2 |
3084 |
3000 |
0.973 |
244 |
2055 |
|
|
14 |
B2 |
1562 |
1521 |
0.973 |
244 |
2056 |
|
|
15 |
B2 |
1451 |
1415 |
0.975 |
244 |
2057 |
|
|
16 |
B2 |
1095 |
990 |
0.904 |
244 |
2058 |
|
|
17 |
B2 |
853 |
872 |
1.022 |
244 |
2059 |
|
|
18 |
E |
3196 |
3067 |
0.960 |
244 |
2060 |
|
|
19 |
E |
3073 |
2985 |
0.971 |
244 |
2061 |
|
|
20 |
E |
1489 |
1431 |
0.961 |
244 |
2062 |
|
|
21 |
E |
1192 |
1150 |
0.965 |
244 |
2063 |
|
|
22 |
E |
1115 |
1049 |
0.941 |
244 |
2064 |
|
|
23 |
E |
872 |
870 |
0.997 |
244 |
2065 |
|
|
24 |
E |
795 |
780 |
0.981 |
244 |
2066 |
|
|
25 |
E |
313 |
308 |
0.985 |
244 |
2067 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3034 |
2953 |
0.973 |
245 |
2068 |
|
|
2 |
A1 |
2874 |
2775 |
0.965 |
245 |
2069 |
|
|
3 |
A1 |
1519 |
1459 |
0.961 |
245 |
2070 |
|
|
4 |
A1 |
1501 |
1444 |
0.962 |
245 |
2071 |
|
|
5 |
A1 |
1206 |
1186 |
0.983 |
245 |
2072 |
|
|
6 |
A1 |
784 |
828 |
1.056 |
245 |
2073 |
|
|
7 |
A1 |
343 |
367 |
1.068 |
245 |
2074 |
|
|
8 |
A2 |
3089 |
2977 |
0.964 |
245 |
2075 |
|
|
9 |
A2 |
1516 |
1453 |
0.958 |
245 |
2076 |
|
|
10 |
A2 |
1063 |
1046 |
0.984 |
245 |
2077 |
|
|
11 |
A2 |
213 |
255 |
1.194 |
245 |
2078 |
|
|
12 |
E |
3096 |
2981 |
0.963 |
245 |
2079 |
|
|
13 |
E |
3029 |
2953 |
0.975 |
245 |
2080 |
|
|
14 |
E |
2862 |
2776 |
0.970 |
245 |
2081 |
|
|
15 |
E |
1534 |
1471 |
0.959 |
245 |
2082 |
|
|
16 |
E |
1499 |
1444 |
0.963 |
245 |
2083 |
|
|
17 |
E |
1471 |
1409 |
0.958 |
245 |
2084 |
|
|
18 |
E |
1306 |
1275 |
0.976 |
245 |
2085 |
|
|
19 |
E |
1116 |
1103 |
0.988 |
245 |
2086 |
|
|
20 |
E |
1047 |
1043 |
0.997 |
245 |
2087 |
|
|
21 |
E |
409 |
424 |
1.036 |
245 |
2088 |
|
|
22 |
E |
249 |
281 |
1.130 |
245 |
2089 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3077 |
2974 |
0.967 |
246 |
2090 |
|
|
2 |
A' |
3069 |
2953 |
0.962 |
246 |
2091 |
|
|
3 |
A' |
3022 |
2940 |
0.973 |
246 |
2092 |
|
|
4 |
A' |
2961 |
2876 |
0.971 |
246 |
2093 |
|
|
5 |
A' |
2913 |
2757 |
0.946 |
246 |
2094 |
|
|
6 |
A' |
1576 |
1752 |
1.112 |
246 |
2095 |
|
|
7 |
A' |
1533 |
1474 |
0.961 |
246 |
2096 |
|
|
8 |
A' |
1529 |
1449 |
0.947 |
246 |
2097 |
|
|
9 |
A' |
1454 |
1399 |
0.962 |
246 |
2098 |
|
|
10 |
A' |
1404 |
1381 |
0.983 |
246 |
2099 |
|
|
11 |
A' |
1341 |
1329 |
0.991 |
246 |
2100 |
|
|
12 |
A' |
1206 |
1182 |
0.980 |
246 |
2101 |
|
|
13 |
A' |
1201 |
1138 |
0.947 |
246 |
2102 |
|
|
14 |
A' |
932 |
922 |
0.989 |
246 |
2103 |
|
|
15 |
A' |
836 |
800 |
0.957 |
246 |
2104 |
|
|
16 |
A' |
526 |
632 |
1.201 |
246 |
2105 |
|
|
17 |
A' |
340 |
395 |
1.162 |
246 |
2106 |
|
|
18 |
A' |
327 |
272 |
0.832 |
246 |
2107 |
|
|
19 |
A' |
221 |
212 |
0.959 |
246 |
2108 |
|
|
20 |
A" |
3074 |
2990 |
0.973 |
246 |
2109 |
|
|
21 |
A" |
3060 |
2982 |
0.974 |
246 |
2110 |
|
|
22 |
A" |
2959 |
2885 |
0.975 |
246 |
2111 |
|
|
23 |
A" |
1519 |
1467 |
0.966 |
246 |
2112 |
|
|
24 |
A" |
1511 |
1452 |
0.961 |
246 |
2113 |
|
|
25 |
A" |
1435 |
1437 |
1.001 |
246 |
2114 |
|
|
26 |
A" |
1361 |
1290 |
0.948 |
246 |
2115 |
|
|
27 |
A" |
1137 |
1109 |
0.975 |
246 |
2116 |
|
|
28 |
A" |
987 |
965 |
0.978 |
246 |
2117 |
|
|
29 |
A" |
945 |
942 |
0.997 |
246 |
2118 |
|
|
30 |
A" |
929 |
933 |
1.004 |
246 |
2119 |
|
|
31 |
A" |
319 |
351 |
1.099 |
246 |
2120 |
|
|
32 |
A" |
187 |
227 |
1.214 |
246 |
2121 |
|
|
33 |
A" |
59 |
75 |
1.276 |
246 |
2122 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
418 |
1442 |
3.450 |
247 |
2123 |
|
|
|
Ag |
834 |
1151 |
1.380 |
247 |
2124 |
|
|
|
Au |
1297 |
1257 |
0.969 |
247 |
2125 |
|
|
|
Bg |
1525 |
1180 |
0.774 |
247 |
2126 |
|
|
|
Bu |
2956 |
2870 |
0.971 |
247 |
2127 |
|
|
|
Bu |
2961 |
2853 |
0.964 |
247 |
2128 |
|
|
|
Bu |
3063 |
964 |
0.315 |
247 |
2129 |
C4H9N |
Pyrrolidine |
1 |
A' |
3486 |
3356 |
0.963 |
248 |
2130 |
|
|
2 |
A' |
3085 |
2975 |
0.964 |
248 |
2131 |
|
|
3 |
A' |
3056 |
2927 |
0.958 |
248 |
2132 |
|
|
4 |
A' |
3012 |
2889 |
0.959 |
248 |
2133 |
|
|
5 |
A' |
2895 |
2824 |
0.975 |
248 |
2134 |
|
|
6 |
A' |
1544 |
1484 |
0.961 |
248 |
2135 |
|
|
7 |
A' |
1526 |
1447 |
0.949 |
248 |
2136 |
|
|
8 |
A' |
1416 |
1292 |
0.912 |
248 |
2137 |
|
|
9 |
A' |
1332 |
1273 |
0.956 |
248 |
2138 |
|
|
10 |
A' |
1229 |
1228 |
0.999 |
248 |
2139 |
|
|
11 |
A' |
1219 |
1181 |
0.969 |
248 |
2140 |
|
|
12 |
A' |
1078 |
974 |
0.903 |
248 |
2141 |
|
|
13 |
A' |
997 |
920 |
0.923 |
248 |
2142 |
|
|
14 |
A' |
928 |
901 |
0.971 |
248 |
2143 |
|
|
15 |
A' |
884 |
871 |
0.985 |
248 |
2144 |
|
|
16 |
A' |
835 |
832 |
0.996 |
248 |
2145 |
|
|
17 |
A' |
745 |
789 |
1.060 |
248 |
2146 |
|
|
18 |
A' |
546 |
579 |
1.061 |
248 |
2147 |
|
|
19 |
A' |
254 |
299 |
1.179 |
248 |
2148 |
|
|
20 |
A" |
3064 |
2967 |
0.968 |
248 |
2149 |
|
|
21 |
A" |
3048 |
2916 |
0.957 |
248 |
2150 |
|
|
22 |
A" |
2996 |
2879 |
0.961 |
248 |
2151 |
|
|
23 |
A" |
2892 |
2818 |
0.974 |
248 |
2152 |
|
|
24 |
A" |
1529 |
1459 |
0.954 |
248 |
2153 |
|
|
25 |
A" |
1510 |
1412 |
0.935 |
248 |
2154 |
|
|
26 |
A" |
1453 |
1341 |
0.923 |
248 |
2155 |
|
|
27 |
A" |
1336 |
1268 |
0.949 |
248 |
2156 |
|
|
28 |
A" |
1297 |
1211 |
0.934 |
248 |
2157 |
|
|
29 |
A" |
1251 |
1203 |
0.961 |
248 |
2158 |
|
|
30 |
A" |
1185 |
1171 |
0.988 |
248 |
2159 |
|
|
31 |
A" |
1127 |
1099 |
0.975 |
248 |
2160 |
|
|
32 |
A" |
1106 |
1023 |
0.925 |
248 |
2161 |
|
|
33 |
A" |
931 |
883 |
0.949 |
248 |
2162 |
|
|
34 |
A" |
869 |
848 |
0.976 |
248 |
2163 |
|
|
35 |
A" |
621 |
600 |
0.966 |
248 |
2164 |
|
|
36 |
A" |
55 |
65 |
1.181 |
248 |
2165 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3438 |
3345 |
0.973 |
249 |
2166 |
|
|
2 |
A' |
3111 |
2975 |
0.956 |
249 |
2167 |
|
|
3 |
A' |
3074 |
2950 |
0.960 |
249 |
2168 |
|
|
4 |
A' |
3023 |
2918 |
0.965 |
249 |
2169 |
|
|
5 |
A' |
3000 |
2905 |
0.968 |
249 |
2170 |
|
|
6 |
A' |
2944 |
2887 |
0.981 |
249 |
2171 |
|
|
7 |
A' |
1719 |
1614 |
0.939 |
249 |
2172 |
|
|
8 |
A' |
1516 |
1467 |
0.968 |
249 |
2173 |
|
|
9 |
A' |
1506 |
1443 |
0.958 |
249 |
2174 |
|
|
10 |
A' |
1388 |
1390 |
1.002 |
249 |
2175 |
|
|
11 |
A' |
1315 |
1291 |
0.981 |
249 |
2176 |
|
|
12 |
A' |
1241 |
1237 |
0.997 |
249 |
2177 |
|
|
13 |
A' |
1172 |
1137 |
0.970 |
249 |
2178 |
|
|
14 |
A' |
1077 |
1120 |
1.040 |
249 |
2179 |
|
|
15 |
A' |
942 |
1050 |
1.115 |
249 |
2180 |
|
|
16 |
A' |
903 |
965 |
1.068 |
249 |
2181 |
|
|
17 |
A' |
857 |
788 |
0.919 |
249 |
2182 |
|
|
18 |
A' |
747 |
752 |
1.007 |
249 |
2183 |
|
|
19 |
A' |
666 |
606 |
0.910 |
249 |
2184 |
|
|
20 |
A' |
406 |
448 |
1.105 |
249 |
2185 |
|
|
21 |
A' |
198 |
174 |
0.879 |
249 |
2186 |
|
|
22 |
A" |
3573 |
3411 |
0.955 |
249 |
2187 |
|
|
23 |
A" |
3076 |
2970 |
0.966 |
249 |
2188 |
|
|
24 |
A" |
2995 |
2957 |
0.987 |
249 |
2189 |
|
|
25 |
A" |
1497 |
1452 |
0.970 |
249 |
2190 |
|
|
26 |
A" |
1354 |
1213 |
0.896 |
249 |
2191 |
|
|
27 |
A" |
1314 |
1185 |
0.902 |
249 |
2192 |
|
|
28 |
A" |
1289 |
1168 |
0.906 |
249 |
2193 |
|
|
29 |
A" |
1218 |
1036 |
0.851 |
249 |
2194 |
|
|
30 |
A" |
1151 |
|
|
249 |
2195 |
|
|
31 |
A" |
1023 |
925 |
0.904 |
249 |
2196 |
|
|
32 |
A" |
933 |
912 |
0.978 |
249 |
2197 |
|
|
33 |
A" |
906 |
883 |
0.975 |
249 |
2198 |
|
|
34 |
A" |
780 |
788 |
1.010 |
249 |
2199 |
|
|
35 |
A" |
381 |
354 |
0.929 |
249 |
2200 |
|
|
36 |
A" |
260 |
240 |
0.924 |
249 |
2201 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3097 |
2968 |
0.958 |
250 |
2202 |
|
|
2 |
Ag |
2982 |
2856 |
0.958 |
250 |
2203 |
|
|
3 |
Ag |
1505 |
1444 |
0.960 |
250 |
2204 |
|
|
4 |
Ag |
1407 |
1397 |
0.993 |
250 |
2205 |
|
|
5 |
Ag |
1280 |
1305 |
1.019 |
250 |
2206 |
|
|
6 |
Ag |
1144 |
1128 |
0.986 |
250 |
2207 |
|
|
7 |
Ag |
1000 |
1015 |
1.015 |
250 |
2208 |
|
|
8 |
Ag |
779 |
837 |
1.075 |
250 |
2209 |
|
|
9 |
Ag |
406 |
435 |
1.070 |
250 |
2210 |
|
|
10 |
Ag |
386 |
424 |
1.097 |
250 |
2211 |
|
|
11 |
Au |
3094 |
2970 |
0.960 |
250 |
2212 |
|
|
12 |
Au |
2979 |
2863 |
0.961 |
250 |
2213 |
|
|
13 |
Au |
1494 |
1449 |
0.970 |
250 |
2214 |
|
|
14 |
Au |
1379 |
1369 |
0.993 |
250 |
2215 |
|
|
15 |
Au |
1234 |
1256 |
1.018 |
250 |
2216 |
|
|
16 |
Au |
1101 |
1136 |
1.032 |
250 |
2217 |
|
|
17 |
Au |
1064 |
1086 |
1.021 |
250 |
2218 |
|
|
18 |
Au |
871 |
881 |
1.011 |
250 |
2219 |
|
|
19 |
Au |
230 |
288 |
1.250 |
250 |
2220 |
|
|
20 |
Bg |
3098 |
2968 |
0.958 |
250 |
2221 |
|
|
21 |
Bg |
2982 |
2856 |
0.958 |
250 |
2222 |
|
|
22 |
Bg |
1493 |
1459 |
0.977 |
250 |
2223 |
|
|
23 |
Bg |
1365 |
1335 |
0.978 |
250 |
2224 |
|
|
24 |
Bg |
1183 |
1217 |
1.029 |
250 |
2225 |
|
|
25 |
Bg |
1065 |
1110 |
1.042 |
250 |
2226 |
|
|
26 |
Bg |
834 |
853 |
1.023 |
250 |
2227 |
|
|
27 |
Bg |
429 |
490 |
1.141 |
250 |
2228 |
|
|
28 |
Bu |
3100 |
2970 |
0.958 |
250 |
2229 |
|
|
29 |
Bu |
2984 |
2863 |
0.959 |
250 |
2230 |
|
|
30 |
Bu |
1502 |
1457 |
0.970 |
250 |
2231 |
|
|
31 |
Bu |
1412 |
1378 |
0.976 |
250 |
2232 |
|
|
32 |
Bu |
1266 |
1291 |
1.019 |
250 |
2233 |
|
|
33 |
Bu |
1031 |
1052 |
1.020 |
250 |
2234 |
|
|
34 |
Bu |
786 |
889 |
1.131 |
250 |
2235 |
|
|
35 |
Bu |
575 |
610 |
1.061 |
250 |
2236 |
|
|
36 |
Bu |
257 |
274 |
1.068 |
250 |
2237 |
C8H8 |
cubane |
1 |
A1g |
3105 |
2995 |
0.965 |
251 |
2238 |
|
|
2 |
A1g |
964 |
1002 |
1.039 |
251 |
2239 |
|
|
3 |
A2u |
3056 |
2978 |
0.975 |
251 |
2240 |
|
|
4 |
A2u |
961 |
839 |
0.873 |
251 |
2241 |
|
|
5 |
Eg |
1098 |
1083 |
0.986 |
251 |
2242 |
|
|
6 |
Eg |
908 |
912 |
1.005 |
251 |
2243 |
|
|
7 |
Eu |
920 |
1151 |
1.250 |
251 |
2244 |
|
|
8 |
Eu |
307 |
617 |
2.007 |
251 |
2245 |
|
|
9 |
T1g |
1095 |
1130 |
1.032 |
251 |
2246 |
|
|
10 |
T1u |
3078 |
2978 |
0.968 |
251 |
2247 |
|
|
11 |
T1u |
1239 |
1230 |
0.993 |
251 |
2248 |
|
|
12 |
T1u |
822 |
853 |
1.037 |
251 |
2249 |
|
|
13 |
T2g |
3066 |
2970 |
0.969 |
251 |
2250 |
|
|
14 |
T2g |
1110 |
1182 |
1.065 |
251 |
2251 |
|
|
15 |
T2g |
776 |
821 |
1.059 |
251 |
2252 |
|
|
16 |
T2g |
589 |
665 |
1.129 |
251 |
2253 |
|
|
17 |
T2u |
1019 |
1036 |
1.017 |
251 |
2254 |
|
|
18 |
T2u |
808 |
829 |
1.027 |
251 |
2255 |
C5H12 |
Pentane |
1 |
A1 |
3063 |
2973 |
0.971 |
252 |
2256 |
|
|
2 |
A1 |
2963 |
2892 |
0.976 |
252 |
2257 |
|
|
3 |
A1 |
2956 |
2866 |
0.969 |
252 |
2258 |
|
|
4 |
A1 |
2944 |
2866 |
0.973 |
252 |
2259 |
|
|
5 |
A1 |
1541 |
1480 |
0.960 |
252 |
2260 |
|
|
6 |
A1 |
1521 |
1463 |
0.962 |
252 |
2261 |
|
|
7 |
A1 |
1511 |
1450 |
0.960 |
252 |
2262 |
|
|
8 |
A1 |
1445 |
1379 |
0.954 |
252 |
2263 |
|
|
9 |
A1 |
1395 |
1346 |
0.965 |
252 |
2264 |
|
|
10 |
A1 |
1172 |
1144 |
0.976 |
252 |
2265 |
|
|
11 |
A1 |
1050 |
1036 |
0.987 |
252 |
2266 |
|
|
12 |
A1 |
867 |
867 |
1.000 |
252 |
2267 |
|
|
13 |
A1 |
391 |
401 |
1.025 |
252 |
2268 |
|
|
14 |
A1 |
172 |
179 |
1.041 |
252 |
2269 |
|
|
15 |
A2 |
3060 |
2967 |
0.970 |
252 |
2270 |
|
|
16 |
A2 |
3011 |
2908 |
0.966 |
252 |
2271 |
|
|
17 |
A2 |
1527 |
1462 |
0.958 |
252 |
2272 |
|
|
18 |
A2 |
1317 |
1346 |
1.022 |
252 |
2273 |
|
|
19 |
A2 |
1279 |
1269 |
0.992 |
252 |
2274 |
|
|
20 |
A2 |
990 |
993 |
1.003 |
252 |
2275 |
|
|
21 |
A2 |
768 |
766 |
0.997 |
252 |
2276 |
|
|
22 |
A2 |
233 |
210 |
0.902 |
252 |
2277 |
|
|
23 |
A2 |
93 |
131 |
1.414 |
252 |
2278 |
|
|
24 |
B1 |
3063 |
2965 |
0.968 |
252 |
2279 |
|
|
25 |
B1 |
3029 |
2930 |
0.967 |
252 |
2280 |
|
|
26 |
B1 |
2993 |
2930 |
0.979 |
252 |
2281 |
|
|
27 |
B1 |
1525 |
1469 |
0.963 |
252 |
2282 |
|
|
28 |
B1 |
1323 |
1303 |
0.985 |
252 |
2283 |
|
|
29 |
B1 |
1245 |
1170 |
0.940 |
252 |
2284 |
|
|
30 |
B1 |
873 |
858 |
0.983 |
252 |
2285 |
|
|
31 |
B1 |
716 |
727 |
1.016 |
252 |
2286 |
|
|
32 |
B1 |
222 |
215 |
0.966 |
252 |
2287 |
|
|
33 |
B1 |
107 |
88 |
0.819 |
252 |
2288 |
|
|
34 |
B2 |
3062 |
2965 |
0.968 |
252 |
2289 |
|
|
35 |
B2 |
2959 |
2879 |
0.973 |
252 |
2290 |
|
|
36 |
B2 |
2953 |
2866 |
0.970 |
252 |
2291 |
|
|
37 |
B2 |
1531 |
1476 |
0.964 |
252 |
2292 |
|
|
38 |
B2 |
1512 |
1456 |
0.963 |
252 |
2293 |
|
|
39 |
B2 |
1447 |
1389 |
0.960 |
252 |
2294 |
|
|
40 |
B2 |
1410 |
1379 |
0.978 |
252 |
2295 |
|
|
41 |
B2 |
1315 |
1269 |
0.965 |
252 |
2296 |
|
|
42 |
B2 |
1093 |
1073 |
0.982 |
252 |
2297 |
|
|
43 |
B2 |
1039 |
1024 |
0.986 |
252 |
2298 |
|
|
44 |
B2 |
921 |
910 |
0.988 |
252 |
2299 |
|
|
45 |
B2 |
387 |
406 |
1.049 |
252 |
2300 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
2951 |
2909 |
0.986 |
253 |
2301 |
|
|
2 |
A1 |
1462 |
1381 |
0.944 |
253 |
2302 |
|
|
3 |
A1 |
714 |
733 |
1.027 |
253 |
2303 |
|
|
4 |
A2 |
159 |
198 |
1.241 |
253 |
2304 |
|
|
5 |
E |
3047 |
2955 |
0.970 |
253 |
2305 |
|
|
6 |
E |
1516 |
1451 |
0.957 |
253 |
2306 |
|
|
7 |
E |
1105 |
999 |
0.904 |
253 |
2307 |
|
|
8 |
E |
326 |
335 |
1.027 |
253 |
2308 |
|
|
9 |
T1 |
3044 |
2975 |
0.977 |
253 |
2309 |
|
|
10 |
T1 |
1505 |
1461 |
0.971 |
253 |
2310 |
|
|
11 |
T1 |
963 |
932 |
0.968 |
253 |
2311 |
|
|
12 |
T1 |
254 |
203 |
0.800 |
253 |
2312 |
|
|
13 |
T2 |
3055 |
2959 |
0.969 |
253 |
2313 |
|
|
14 |
T2 |
2941 |
2876 |
0.978 |
253 |
2314 |
|
|
15 |
T2 |
1538 |
1475 |
0.959 |
253 |
2315 |
|
|
16 |
T2 |
1428 |
1372 |
0.960 |
253 |
2316 |
|
|
17 |
T2 |
1297 |
1256 |
0.969 |
253 |
2317 |
|
|
18 |
T2 |
936 |
925 |
0.988 |
253 |
2318 |
|
|
19 |
T2 |
403 |
418 |
1.038 |
253 |
2319 |
C5H11N |
Piperidine |
1 |
A' |
3469 |
3341 |
0.963 |
254 |
2320 |
|
|
2 |
A' |
3052 |
2947 |
0.966 |
254 |
2321 |
|
|
3 |
A' |
3041 |
2931 |
0.964 |
254 |
2322 |
|
|
4 |
A' |
3026 |
2917 |
0.964 |
254 |
2323 |
|
|
5 |
A' |
2977 |
2892 |
0.971 |
254 |
2324 |
|
|
6 |
A' |
2954 |
2850 |
0.965 |
254 |
2325 |
|
|
7 |
A' |
2868 |
2730 |
0.952 |
254 |
2326 |
|
|
8 |
A' |
1527 |
1476 |
0.967 |
254 |
2327 |
|
|
9 |
A' |
1509 |
1452 |
0.962 |
254 |
2328 |
|
|
10 |
A' |
1506 |
1444 |
0.959 |
254 |
2329 |
|
|
11 |
A' |
1427 |
1386 |
0.971 |
254 |
2330 |
|
|
12 |
A' |
1392 |
1365 |
0.981 |
254 |
2331 |
|
|
13 |
A' |
1293 |
1346 |
1.041 |
254 |
2332 |
|
|
14 |
A' |
1276 |
1266 |
0.992 |
254 |
2333 |
|
|
15 |
A' |
1189 |
1164 |
0.979 |
254 |
2334 |
|
|
16 |
A' |
1058 |
1035 |
0.978 |
254 |
2335 |
|
|
17 |
A' |
1047 |
1006 |
0.961 |
254 |
2336 |
|
|
18 |
A' |
890 |
906 |
1.018 |
254 |
2337 |
|
|
19 |
A' |
853 |
853 |
1.001 |
254 |
2338 |
|
|
20 |
A' |
806 |
822 |
1.020 |
254 |
2339 |
|
|
21 |
A' |
709 |
743 |
1.047 |
254 |
2340 |
|
|
22 |
A' |
519 |
546 |
1.052 |
254 |
2341 |
|
|
23 |
A' |
403 |
432 |
1.071 |
254 |
2342 |
|
|
24 |
A' |
365 |
404 |
1.108 |
254 |
2343 |
|
|
25 |
A' |
234 |
246 |
1.051 |
254 |
2344 |
|
|
26 |
A" |
3045 |
2940 |
0.966 |
254 |
2345 |
|
|
27 |
A" |
3038 |
2902 |
0.955 |
254 |
2346 |
|
|
28 |
A" |
2976 |
2850 |
0.958 |
254 |
2347 |
|
|
29 |
A" |
2865 |
2803 |
0.978 |
254 |
2348 |
|
|
30 |
A" |
1517 |
1468 |
0.968 |
254 |
2349 |
|
|
31 |
A" |
1499 |
1460 |
0.974 |
254 |
2350 |
|
|
32 |
A" |
1492 |
1436 |
0.962 |
254 |
2351 |
|
|
33 |
A" |
1388 |
1332 |
0.960 |
254 |
2352 |
|
|
34 |
A" |
1377 |
1318 |
0.957 |
254 |
2353 |
|
|
35 |
A" |
1351 |
1285 |
0.951 |
254 |
2354 |
|
|
36 |
A" |
1279 |
1258 |
0.983 |
254 |
2355 |
|
|
37 |
A" |
1176 |
1191 |
1.013 |
254 |
2356 |
|
|
38 |
A" |
1160 |
1146 |
0.988 |
254 |
2357 |
|
|
39 |
A" |
1119 |
1115 |
0.997 |
254 |
2358 |
|
|
40 |
A" |
1069 |
1052 |
0.984 |
254 |
2359 |
|
|
41 |
A" |
973 |
964 |
0.991 |
254 |
2360 |
|
|
42 |
A" |
871 |
874 |
1.003 |
254 |
2361 |
|
|
43 |
A" |
811 |
810 |
0.998 |
254 |
2362 |
|
|
44 |
A" |
435 |
445 |
1.023 |
254 |
2363 |
|
|
45 |
A" |
242 |
254 |
1.047 |
254 |
2364 |
C6H12 |
Cyclohexane |
1 |
A1g |
3023 |
2930 |
0.969 |
255 |
2365 |
|
|
2 |
A1g |
2959 |
2852 |
0.964 |
255 |
2366 |
|
|
3 |
A1g |
1529 |
1465 |
0.958 |
255 |
2367 |
|
|
4 |
A1g |
1215 |
1157 |
0.952 |
255 |
2368 |
|
|
5 |
A1g |
787 |
802 |
1.019 |
255 |
2369 |
|
|
6 |
A1g |
336 |
383 |
1.141 |
255 |
2370 |
|
|
7 |
A1u |
1360 |
1383 |
1.017 |
255 |
2371 |
|
|
8 |
A1u |
1131 |
1157 |
1.023 |
255 |
2372 |
|
|
9 |
A1u |
1097 |
1057 |
0.964 |
255 |
2373 |
|
|
10 |
A2g |
1373 |
1437 |
1.047 |
255 |
2374 |
|
|
11 |
A2g |
1054 |
1090 |
1.034 |
255 |
2375 |
|
|
12 |
A2u |
3037 |
2915 |
0.960 |
255 |
2376 |
|
|
13 |
A2u |
2953 |
2860 |
0.969 |
255 |
2377 |
|
|
14 |
A2u |
1518 |
1437 |
0.947 |
255 |
2378 |
|
|
15 |
A2u |
1048 |
1030 |
0.983 |
255 |
2379 |
|
|
16 |
A2u |
503 |
523 |
1.039 |
255 |
2380 |
|
|
17 |
Eg |
3025 |
2930 |
0.969 |
255 |
2381 |
|
|
18 |
Eg |
2953 |
2897 |
0.981 |
255 |
2382 |
|
|
19 |
Eg |
1506 |
1443 |
0.958 |
255 |
2383 |
|
|
20 |
Eg |
1381 |
1347 |
0.975 |
255 |
2384 |
|
|
21 |
Eg |
1278 |
1266 |
0.990 |
255 |
2385 |
|
|
22 |
Eg |
1041 |
1027 |
0.987 |
255 |
2386 |
|
|
23 |
Eg |
781 |
785 |
1.005 |
255 |
2387 |
|
|
24 |
Eg |
410 |
426 |
1.040 |
255 |
2388 |
|
|
25 |
Eu |
3018 |
2933 |
0.972 |
255 |
2389 |
|
|
26 |
Eu |
2954 |
2863 |
0.969 |
255 |
2390 |
|
|
27 |
Eu |
1507 |
1457 |
0.967 |
255 |
2391 |
|
|
28 |
Eu |
1402 |
1355 |
0.966 |
255 |
2392 |
|
|
29 |
Eu |
1278 |
1261 |
0.987 |
255 |
2393 |
|
|
30 |
Eu |
911 |
907 |
0.996 |
255 |
2394 |
|
|
31 |
Eu |
853 |
863 |
1.012 |
255 |
2395 |
|
|
32 |
Eu |
221 |
248 |
1.120 |
255 |
2396 |
C6H14 |
Hexane |
1 |
Ag |
3063 |
2966 |
0.968 |
256 |
2397 |
|
|
2 |
Ag |
2962 |
2877 |
0.971 |
256 |
2398 |
|
|
3 |
Ag |
2955 |
2863 |
0.969 |
256 |
2399 |
|
|
4 |
Ag |
2944 |
2852 |
0.969 |
256 |
2400 |
|
|
5 |
Ag |
1533 |
1460 |
0.952 |
256 |
2401 |
|
|
6 |
Ag |
1516 |
1460 |
0.963 |
256 |
2402 |
|
|
7 |
Ag |
1511 |
1440 |
0.953 |
256 |
2403 |
|
|
8 |
Ag |
1446 |
1397 |
0.966 |
256 |
2404 |
|
|
9 |
Ag |
1407 |
1366 |
0.971 |
256 |
2405 |
|
|
10 |
Ag |
1366 |
1305 |
0.955 |
256 |
2406 |
|
|
11 |
Ag |
1164 |
1140 |
0.979 |
256 |
2407 |
|
|
12 |
Ag |
1086 |
1065 |
0.981 |
256 |
2408 |
|
|
13 |
Ag |
1008 |
1007 |
0.999 |
256 |
2409 |
|
|
14 |
Ag |
900 |
901 |
1.001 |
256 |
2410 |
|
|
15 |
Ag |
359 |
371 |
1.033 |
256 |
2411 |
|
|
16 |
Ag |
288 |
305 |
1.059 |
256 |
2412 |
|
|
17 |
Au |
3062 |
2967 |
0.969 |
256 |
2413 |
|
|
18 |
Au |
3033 |
2936 |
0.968 |
256 |
2414 |
|
|
19 |
Au |
3003 |
2920 |
0.973 |
256 |
2415 |
|
|
20 |
Au |
1526 |
1460 |
0.957 |
256 |
2416 |
|
|
21 |
Au |
1328 |
1303 |
0.982 |
256 |
2417 |
|
|
22 |
Au |
1270 |
1222 |
0.962 |
256 |
2418 |
|
|
23 |
Au |
1005 |
1010 |
1.005 |
256 |
2419 |
|
|
24 |
Au |
815 |
824 |
1.011 |
256 |
2420 |
|
|
25 |
Au |
701 |
726 |
1.036 |
256 |
2421 |
|
|
26 |
Au |
230 |
216 |
0.939 |
256 |
2422 |
|
|
27 |
Au |
90 |
94 |
1.046 |
256 |
2423 |
|
|
28 |
Au |
67 |
61 |
0.916 |
256 |
2424 |
|
|
29 |
Bg |
3061 |
2966 |
0.969 |
256 |
2425 |
|
|
30 |
Bg |
3020 |
2908 |
0.963 |
256 |
2426 |
|
|
31 |
Bg |
2990 |
2908 |
0.973 |
256 |
2427 |
|
|
32 |
Bg |
1526 |
1460 |
0.957 |
256 |
2428 |
|
|
33 |
Bg |
1317 |
1305 |
0.991 |
256 |
2429 |
|
|
34 |
Bg |
1306 |
1283 |
0.983 |
256 |
2430 |
|
|
35 |
Bg |
1245 |
1168 |
0.938 |
256 |
2431 |
|
|
36 |
Bg |
912 |
894 |
0.980 |
256 |
2432 |
|
|
37 |
Bg |
742 |
740 |
0.997 |
256 |
2433 |
|
|
38 |
Bg |
223 |
208 |
0.934 |
256 |
2434 |
|
|
39 |
Bg |
135 |
125 |
0.925 |
256 |
2435 |
|
|
40 |
Bu |
3063 |
2967 |
0.969 |
256 |
2436 |
|
|
41 |
Bu |
2963 |
2884 |
0.973 |
256 |
2437 |
|
|
42 |
Bu |
2956 |
2867 |
0.970 |
256 |
2438 |
|
|
43 |
Bu |
2945 |
2851 |
0.968 |
256 |
2439 |
|
|
44 |
Bu |
1542 |
1476 |
0.957 |
256 |
2440 |
|
|
45 |
Bu |
1524 |
1465 |
0.961 |
256 |
2441 |
|
|
46 |
Bu |
1510 |
1452 |
0.962 |
256 |
2442 |
|
|
47 |
Bu |
1444 |
1387 |
0.961 |
256 |
2443 |
|
|
48 |
Bu |
1406 |
1375 |
0.978 |
256 |
2444 |
|
|
49 |
Bu |
1289 |
1249 |
0.969 |
256 |
2445 |
|
|
50 |
Bu |
1081 |
1061 |
0.982 |
256 |
2446 |
|
|
51 |
Bu |
1054 |
1035 |
0.982 |
256 |
2447 |
|
|
52 |
Bu |
880 |
888 |
1.009 |
256 |
2448 |
|
|
53 |
Bu |
456 |
470 |
1.032 |
256 |
2449 |
|
|
54 |
Bu |
126 |
139 |
1.099 |
256 |
2450 |