H2 |
Hydrogen diatomic |
1 |
Σg |
4420 |
4161 |
0.942 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1415 |
1360 |
0.961 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
343 |
346 |
1.010 |
3 |
3 |
Na2 |
Sodium diatomic |
1 |
Σg |
158 |
158 |
1.001 |
4 |
4 |
BeH |
beryllium monohydride |
1 |
Σ |
2054 |
1987 |
0.967 |
5 |
5 |
MgH |
magnesium monohydride |
1 |
Σ |
1457 |
1432 |
0.983 |
6 |
6 |
BH |
Boron monohydride |
1 |
Σ |
2352 |
2269 |
0.965 |
7 |
7 |
AlH |
aluminum monohydride |
1 |
Σ |
1632 |
1625 |
0.996 |
8 |
8 |
CH |
Methylidyne |
1 |
Σ |
2818 |
2733 |
0.970 |
9 |
9 |
C2 |
Carbon diatomic |
1 |
Σg |
1877 |
1827 |
0.973 |
10 |
10 |
SiH |
Silylidyne |
1 |
Σ |
2008 |
1971 |
0.982 |
11 |
11 |
NH |
Imidogen |
1 |
Σ |
3250 |
3126 |
0.962 |
12 |
12 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2450 |
2330 |
0.951 |
13 |
13 |
PH |
phosphorus monohydride |
1 |
Σ |
2354 |
2319 |
0.985 |
14 |
14 |
PN |
Phosphorus mononitride |
1 |
Σ |
1405 |
1323 |
0.941 |
15 |
15 |
P2 |
Phosphorus diatomic |
1 |
Σg |
810 |
775 |
0.957 |
16 |
16 |
OH |
Hydroxyl radical |
1 |
Σ |
3697 |
3570 |
0.966 |
17 |
17 |
LiO |
lithium oxide |
1 |
Σ |
827 |
799 |
0.967 |
18 |
18 |
BO |
boron monoxide |
1 |
Σ |
1918 |
1862 |
0.971 |
19 |
19 |
CO |
Carbon monoxide |
1 |
Σ |
2212 |
2143 |
0.969 |
20 |
20 |
MgO |
magnesium oxide |
1 |
Σ |
822 |
775 |
0.943 |
21 |
21 |
SiO |
Silicon monoxide |
1 |
Σ |
1261 |
1230 |
0.975 |
22 |
22 |
BeS |
beryllium sulfide |
1 |
Σ |
1011 |
986 |
0.975 |
23 |
23 |
BS |
boron sulfide |
1 |
Σ |
1184 |
1167 |
0.986 |
24 |
24 |
CS |
carbon monosulfide |
1 |
Σ |
1308 |
1272 |
0.973 |
25 |
25 |
SO |
Sulfur monoxide |
1 |
Σ |
1158 |
1138 |
0.983 |
26 |
26 |
|
|
1 |
Σ |
1158 |
1054 |
0.911 |
26 |
27 |
MgS |
magnesium sulfide |
1 |
Σ |
528 |
523 |
0.991 |
27 |
28 |
AlS |
Aluminum sulfide |
1 |
Σ |
596 |
610 |
1.025 |
28 |
29 |
SiS |
silicon monosulfide |
1 |
Σ |
746 |
744 |
0.998 |
29 |
30 |
S2 |
Sulfur diatomic |
1 |
Σg |
716 |
720 |
1.006 |
30 |
31 |
HF |
Hydrogen fluoride |
1 |
Σ |
4085 |
3961 |
0.970 |
31 |
32 |
LiF |
lithium fluoride |
1 |
Σ |
917 |
896 |
0.978 |
32 |
33 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1257 |
|
|
33 |
34 |
CF |
Fluoromethylidyne |
1 |
Σ |
1306 |
1286 |
0.985 |
34 |
35 |
NF |
nitrogen fluoride |
1 |
Σ |
1159 |
1123 |
0.969 |
35 |
36 |
F2 |
Fluorine diatomic |
1 |
Σg |
1051 |
894 |
0.851 |
36 |
37 |
NaF |
sodium fluoride |
1 |
Σ |
538 |
529 |
0.983 |
37 |
38 |
MgF |
Magnesium monofluoride |
1 |
Σ |
708 |
|
|
38 |
39 |
AlF |
Aluminum monofluoride |
1 |
Σ |
775 |
793 |
1.023 |
39 |
40 |
SiF |
silicon monofluoride |
1 |
Σ |
830 |
848 |
1.021 |
40 |
41 |
SF |
Monosulfur monofluoride |
1 |
Σ |
829 |
829 |
1.000 |
41 |
42 |
HCl |
Hydrogen chloride |
1 |
Σ |
2948 |
2886 |
0.979 |
42 |
43 |
LiCl |
lithium chloride |
1 |
Σ |
642 |
634 |
0.988 |
43 |
44 |
BeCl |
beryllium monochloride |
1 |
Σ |
833 |
847 |
1.016 |
44 |
45 |
BCl |
boron monochloride |
1 |
Σ |
823 |
829 |
1.008 |
45 |
46 |
CCl |
carbon monochloride |
1 |
Σ |
852 |
866 |
1.017 |
46 |
47 |
ClO |
Monochlorine monoxide |
1 |
Σ |
853 |
843 |
0.988 |
47 |
48 |
ClF |
Chlorine monofluoride |
1 |
Σ |
788 |
773 |
0.982 |
48 |
49 |
NaCl |
Sodium Chloride |
1 |
Σ |
357 |
361 |
1.012 |
49 |
50 |
SCl |
sulfur monochloride |
1 |
Σ |
561 |
577 |
1.029 |
50 |
51 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
541 |
554 |
1.025 |
51 |
52 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2259 |
2159 |
0.956 |
52 |
53 |
|
|
3 |
Πu |
725 |
698 |
0.963 |
52 |
54 |
BH2 |
boron dihydride |
2 |
A1 |
985 |
954 |
0.968 |
53 |
55 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1811 |
1770 |
0.978 |
54 |
56 |
|
|
2 |
A1 |
771 |
760 |
0.986 |
54 |
57 |
|
|
3 |
B2 |
1853 |
1807 |
0.975 |
54 |
58 |
SiH2 |
silicon dihydride |
1 |
A1 |
2035 |
1996 |
0.981 |
55 |
59 |
|
|
2 |
A1 |
1020 |
999 |
0.979 |
55 |
60 |
|
|
3 |
B2 |
2035 |
1993 |
0.979 |
55 |
61 |
NH2 |
Amino radical |
1 |
A1 |
3343 |
3219 |
0.963 |
56 |
62 |
|
|
2 |
A1 |
1542 |
1497 |
0.971 |
56 |
63 |
|
|
3 |
B2 |
3432 |
3301 |
0.962 |
56 |
64 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3450 |
3312 |
0.960 |
57 |
65 |
|
|
2 |
Σ |
2201 |
2089 |
0.949 |
57 |
66 |
|
|
3 |
Π |
762 |
712 |
0.934 |
57 |
67 |
HNC |
hydrogen isocyanide |
1 |
Σ |
3809 |
3653 |
0.959 |
58 |
68 |
|
|
2 |
Σ |
2107 |
2029 |
0.963 |
58 |
69 |
|
|
3 |
Π |
471 |
477 |
1.012 |
58 |
70 |
HCP |
Phosphaethyne |
1 |
Σ |
3350 |
3217 |
0.960 |
59 |
71 |
|
|
2 |
Σ |
1344 |
1278 |
0.951 |
59 |
72 |
|
|
3 |
Π |
720 |
674 |
0.936 |
59 |
73 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2080 |
2095 |
1.007 |
60 |
74 |
|
|
2 |
A' |
1233 |
1188 |
0.964 |
60 |
75 |
|
|
3 |
A' |
1004 |
986 |
0.981 |
60 |
76 |
H2O |
Water |
1 |
A1 |
3801 |
3657 |
0.962 |
61 |
77 |
|
|
2 |
A1 |
1639 |
1595 |
0.973 |
61 |
78 |
|
|
3 |
B2 |
3901 |
3756 |
0.963 |
61 |
79 |
LiOH |
lithium hydroxide |
1 |
Σ |
3990 |
3688 |
0.924 |
62 |
80 |
|
|
2 |
Σ |
965 |
871 |
0.902 |
62 |
81 |
|
|
3 |
Π |
332 |
257 |
0.773 |
62 |
82 |
BeOH |
beryllium monohydroxide |
2 |
A' |
1285 |
1246 |
0.969 |
63 |
83 |
HBO |
Boron hydride oxide |
1 |
Σ |
2894 |
2850 |
0.985 |
64 |
84 |
|
|
2 |
Σ |
1868 |
1826 |
0.977 |
64 |
85 |
|
|
3 |
Π |
780 |
756 |
0.970 |
64 |
86 |
HCO |
Formyl radical |
1 |
A' |
2639 |
2434 |
0.922 |
65 |
87 |
|
|
2 |
A' |
1935 |
1868 |
0.965 |
65 |
88 |
|
|
3 |
A' |
1109 |
1081 |
0.975 |
65 |
89 |
HNO |
Nitrosyl hydride |
1 |
A' |
2838 |
2684 |
0.946 |
66 |
90 |
|
|
2 |
A' |
1666 |
1565 |
0.939 |
66 |
91 |
|
|
3 |
A' |
1568 |
1501 |
0.957 |
66 |
92 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3603 |
3436 |
0.954 |
67 |
93 |
|
|
2 |
A' |
1432 |
1392 |
0.972 |
67 |
94 |
|
|
3 |
A' |
1161 |
1098 |
0.946 |
67 |
95 |
CO2 |
Carbon dioxide |
1 |
Σg |
1372 |
1333 |
0.972 |
68 |
96 |
|
|
2 |
Σu |
2417 |
2349 |
0.972 |
68 |
97 |
|
|
3 |
Πu |
672 |
667 |
0.993 |
68 |
98 |
N2O |
Nitrous oxide |
1 |
Σ |
2349 |
2224 |
0.947 |
69 |
99 |
|
|
2 |
Σ |
1330 |
1285 |
0.966 |
69 |
100 |
|
|
3 |
Π |
621 |
589 |
0.948 |
69 |
101 |
SiO2 |
silicon dioxide |
2 |
Σu |
1450 |
1416 |
0.977 |
70 |
102 |
|
|
3 |
Πu |
294 |
273 |
0.926 |
70 |
103 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2686 |
2615 |
0.974 |
71 |
104 |
|
|
2 |
A1 |
1213 |
1183 |
0.975 |
71 |
105 |
|
|
3 |
B2 |
2698 |
2626 |
0.973 |
71 |
106 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2838 |
2736 |
0.964 |
72 |
107 |
|
|
2 |
Σ |
1190 |
1172 |
0.985 |
72 |
108 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2116 |
2062 |
0.974 |
73 |
109 |
|
|
2 |
Σ |
878 |
859 |
0.978 |
73 |
110 |
|
|
3 |
Π |
530 |
520 |
0.982 |
73 |
111 |
SO2 |
Sulfur dioxide |
1 |
A1 |
1184 |
1151 |
0.972 |
74 |
112 |
|
|
2 |
A1 |
523 |
518 |
0.991 |
74 |
113 |
|
|
3 |
B2 |
1388 |
1362 |
0.981 |
74 |
114 |
CS2 |
Carbon disulfide |
1 |
Σg |
677 |
658 |
0.973 |
75 |
115 |
|
|
2 |
Σu |
1558 |
1535 |
0.985 |
75 |
116 |
|
|
3 |
Πu |
407 |
397 |
0.975 |
75 |
117 |
SSO |
Disulfur monoxide |
1 |
A' |
1204 |
1166 |
0.969 |
76 |
118 |
|
|
2 |
A' |
687 |
679 |
0.988 |
76 |
119 |
|
|
3 |
A' |
384 |
380 |
0.990 |
76 |
120 |
HOF |
Hypofluorous acid |
1 |
A' |
3738 |
3578 |
0.957 |
77 |
121 |
|
|
2 |
A' |
1406 |
1362 |
0.969 |
77 |
122 |
|
|
3 |
A' |
988 |
893 |
0.904 |
77 |
123 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1936 |
1844 |
0.952 |
78 |
124 |
|
|
2 |
A' |
799 |
766 |
0.959 |
78 |
125 |
|
|
3 |
A' |
536 |
520 |
0.971 |
78 |
126 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1099 |
1075 |
0.979 |
79 |
127 |
|
|
2 |
A1 |
574 |
573 |
0.998 |
79 |
128 |
|
|
3 |
B2 |
941 |
942 |
1.002 |
79 |
129 |
F2O |
Difluorine monoxide |
1 |
A1 |
1019 |
928 |
0.911 |
80 |
130 |
|
|
2 |
A1 |
480 |
461 |
0.961 |
80 |
131 |
|
|
3 |
B2 |
894 |
831 |
0.929 |
80 |
132 |
HOCl |
hypochlorous acid |
1 |
A' |
3771 |
3609 |
0.957 |
81 |
133 |
|
|
2 |
A' |
1268 |
1239 |
0.977 |
81 |
134 |
|
|
3 |
A' |
740 |
724 |
0.979 |
81 |
135 |
ClCN |
chlorocyanogen |
1 |
Σ |
2309 |
2216 |
0.960 |
82 |
136 |
|
|
2 |
Σ |
746 |
744 |
0.998 |
82 |
137 |
|
|
3 |
Π |
407 |
378 |
0.929 |
82 |
138 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1918 |
1800 |
0.938 |
83 |
139 |
|
|
2 |
A' |
612 |
596 |
0.974 |
83 |
140 |
|
|
3 |
A' |
334 |
332 |
0.994 |
83 |
141 |
OClO |
Chlorine dioxide |
1 |
A1 |
967 |
946 |
0.978 |
84 |
142 |
|
|
2 |
A1 |
453 |
448 |
0.989 |
84 |
143 |
|
|
3 |
B2 |
1122 |
1110 |
0.989 |
84 |
144 |
CCl2 |
dichloromethylene |
1 |
A1 |
710 |
730 |
1.029 |
85 |
145 |
|
|
2 |
A1 |
331 |
335 |
1.013 |
85 |
146 |
|
|
3 |
B2 |
727 |
758 |
1.043 |
85 |
147 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
656 |
639 |
0.974 |
86 |
148 |
|
|
2 |
A1 |
295 |
296 |
1.005 |
86 |
149 |
|
|
3 |
B2 |
665 |
686 |
1.032 |
86 |
150 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
501 |
522 |
1.041 |
87 |
151 |
|
|
2 |
A1 |
192 |
201 |
1.046 |
87 |
152 |
|
|
3 |
B2 |
493 |
509 |
1.033 |
87 |
153 |
BH3 |
boron trihydride |
2 |
A2" |
1160 |
1148 |
0.989 |
88 |
154 |
|
|
3 |
E' |
2691 |
2602 |
0.967 |
88 |
155 |
|
|
4 |
E' |
1205 |
1197 |
0.993 |
88 |
156 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1931 |
1900 |
0.984 |
89 |
157 |
|
|
2 |
A2" |
709 |
698 |
0.984 |
89 |
158 |
|
|
3 |
E' |
1938 |
1883 |
0.971 |
89 |
159 |
|
|
4 |
E' |
796 |
783 |
0.984 |
89 |
160 |
C2H2 |
Acetylene |
1 |
Σg |
3516 |
3374 |
0.960 |
90 |
161 |
|
|
2 |
Σg |
2072 |
1974 |
0.953 |
90 |
162 |
|
|
3 |
Σu |
3412 |
3289 |
0.964 |
90 |
163 |
|
|
4 |
Πg |
655 |
612 |
0.935 |
90 |
164 |
|
|
5 |
Πu |
770 |
730 |
0.949 |
90 |
165 |
SiH3 |
Silyl radical |
1 |
A1 |
2185 |
2136 |
0.978 |
91 |
166 |
|
|
2 |
A1 |
769 |
728 |
0.946 |
91 |
167 |
|
|
3 |
E |
2225 |
2185 |
0.982 |
91 |
168 |
|
|
4 |
E |
936 |
922 |
0.985 |
91 |
169 |
NH3 |
Ammonia |
1 |
A1 |
3460 |
3337 |
0.965 |
92 |
170 |
|
|
2 |
A1 |
1067 |
950 |
0.891 |
92 |
171 |
|
|
3 |
E |
3576 |
3444 |
0.963 |
92 |
172 |
|
|
4 |
E |
1677 |
1627 |
0.970 |
92 |
173 |
C2N2 |
Cyanogen |
1 |
Σg |
2434 |
2330 |
0.957 |
93 |
174 |
|
|
2 |
Σg |
885 |
846 |
0.956 |
93 |
175 |
|
|
3 |
Σu |
2267 |
2158 |
0.952 |
93 |
176 |
|
|
4 |
Πg |
551 |
503 |
0.913 |
93 |
177 |
|
|
5 |
Πu |
253 |
234 |
0.924 |
93 |
178 |
PH3 |
Phosphine |
1 |
A1 |
2389 |
2323 |
0.972 |
94 |
179 |
|
|
2 |
A1 |
1022 |
992 |
0.971 |
94 |
180 |
|
|
3 |
E |
2395 |
2328 |
0.972 |
94 |
181 |
|
|
4 |
E |
1141 |
1118 |
0.980 |
94 |
182 |
P4 |
Phosphorus tetramer |
1 |
A1 |
608 |
601 |
0.987 |
95 |
183 |
|
|
2 |
E |
368 |
361 |
0.979 |
95 |
184 |
|
|
3 |
T2 |
461 |
467 |
1.013 |
95 |
185 |
H2CO |
Formaldehyde |
1 |
A1 |
2879 |
2782 |
0.966 |
96 |
186 |
|
|
2 |
A1 |
1825 |
1746 |
0.957 |
96 |
187 |
|
|
3 |
A1 |
1537 |
1500 |
0.976 |
96 |
188 |
|
|
4 |
B1 |
1203 |
1167 |
0.970 |
96 |
189 |
|
|
5 |
B2 |
2933 |
2843 |
0.969 |
96 |
190 |
|
|
6 |
B2 |
1268 |
1249 |
0.985 |
96 |
191 |
H2O2 |
Hydrogen peroxide |
1 |
A |
3766 |
3599 |
0.956 |
97 |
192 |
|
|
2 |
A |
1438 |
1402 |
0.975 |
97 |
193 |
|
|
3 |
A |
953 |
877 |
0.920 |
97 |
194 |
|
|
4 |
A |
370 |
371 |
1.002 |
97 |
195 |
|
|
5 |
B |
3765 |
3608 |
0.958 |
97 |
196 |
|
|
6 |
B |
1323 |
1266 |
0.957 |
97 |
197 |
HNCO |
Isocyanic acid |
1 |
A' |
3681 |
3538 |
0.961 |
98 |
198 |
|
|
2 |
A' |
2339 |
2269 |
0.970 |
98 |
199 |
|
|
3 |
A' |
1337 |
1327 |
0.993 |
98 |
200 |
|
|
4 |
A' |
800 |
777 |
0.970 |
98 |
201 |
|
|
5 |
A' |
574 |
577 |
1.006 |
98 |
202 |
|
|
6 |
A" |
636 |
656 |
1.032 |
98 |
203 |
HNO2 |
Nitrous acid |
1 |
A' |
3586 |
3591 |
1.001 |
99 |
204 |
|
|
2 |
A' |
1714 |
1700 |
0.992 |
99 |
205 |
|
|
3 |
A' |
1338 |
1263 |
0.944 |
99 |
206 |
|
|
4 |
A' |
877 |
790 |
0.901 |
99 |
207 |
|
|
5 |
A' |
631 |
596 |
0.944 |
99 |
208 |
|
|
6 |
A" |
704 |
543 |
0.772 |
99 |
209 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2125 |
2060 |
0.969 |
100 |
210 |
|
|
2 |
Σg |
613 |
585 |
0.955 |
100 |
211 |
|
|
3 |
Σu |
1960 |
1898 |
0.968 |
100 |
212 |
|
|
4 |
Πg |
497 |
410 |
0.826 |
100 |
213 |
|
|
5 |
Πu |
215 |
213 |
0.990 |
100 |
214 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3059 |
2971 |
0.971 |
101 |
215 |
|
|
2 |
A1 |
1495 |
1456 |
0.974 |
101 |
216 |
|
|
3 |
A1 |
1090 |
1059 |
0.971 |
101 |
217 |
|
|
4 |
B1 |
1031 |
990 |
0.961 |
101 |
218 |
|
|
5 |
B2 |
3138 |
3025 |
0.964 |
101 |
219 |
|
|
6 |
B2 |
1005 |
991 |
0.986 |
101 |
220 |
H2S2 |
Disulfane |
1 |
A |
2624 |
2556 |
0.974 |
102 |
221 |
|
|
2 |
A |
893 |
882 |
0.988 |
102 |
222 |
|
|
3 |
A |
502 |
515 |
1.025 |
102 |
223 |
|
|
4 |
A |
442 |
417 |
0.946 |
102 |
224 |
|
|
5 |
B |
2626 |
2559 |
0.974 |
102 |
225 |
|
|
6 |
B |
895 |
878 |
0.981 |
102 |
226 |
SO3 |
Sulfur trioxide |
1 |
A1' |
1077 |
1065 |
0.989 |
103 |
227 |
|
|
2 |
A2" |
494 |
498 |
1.008 |
103 |
228 |
|
|
3 |
E' |
1406 |
1391 |
0.990 |
103 |
229 |
|
|
4 |
E' |
527 |
530 |
1.005 |
103 |
230 |
BHF2 |
Difluoroborane |
1 |
A1 |
2700 |
2621 |
0.971 |
104 |
231 |
|
|
2 |
A1 |
1171 |
1164 |
0.994 |
104 |
232 |
|
|
3 |
A1 |
539 |
542 |
1.006 |
104 |
233 |
|
|
4 |
B1 |
929 |
924 |
0.994 |
104 |
234 |
|
|
5 |
B2 |
1421 |
1402 |
0.987 |
104 |
235 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1972 |
1928 |
0.978 |
105 |
236 |
|
|
2 |
A1 |
969 |
965 |
0.996 |
105 |
237 |
|
|
3 |
A1 |
579 |
584 |
1.008 |
105 |
238 |
|
|
4 |
B1 |
780 |
774 |
0.993 |
105 |
239 |
|
|
5 |
B2 |
1235 |
1249 |
1.011 |
105 |
240 |
|
|
6 |
B2 |
619 |
626 |
1.011 |
105 |
241 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
889 |
888 |
0.998 |
106 |
242 |
|
|
2 |
A2" |
683 |
691 |
1.011 |
106 |
243 |
|
|
3 |
E' |
1458 |
1449 |
0.994 |
106 |
244 |
|
|
4 |
E' |
475 |
480 |
1.011 |
106 |
245 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1610 |
1523 |
0.946 |
107 |
246 |
|
|
2 |
Ag |
1049 |
1018 |
0.970 |
107 |
247 |
|
|
3 |
Ag |
612 |
603 |
0.986 |
107 |
248 |
|
|
4 |
Au |
369 |
364 |
0.986 |
107 |
249 |
|
|
5 |
Bu |
1006 |
991 |
0.985 |
107 |
250 |
|
|
6 |
Bu |
423 |
423 |
1.000 |
107 |
251 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1082 |
1089 |
1.006 |
108 |
252 |
|
|
2 |
A1 |
697 |
701 |
1.005 |
108 |
253 |
|
|
3 |
E |
1244 |
1260 |
1.013 |
108 |
254 |
|
|
4 |
E |
505 |
509 |
1.008 |
108 |
255 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
1050 |
1032 |
0.982 |
109 |
256 |
|
|
2 |
A1 |
651 |
647 |
0.994 |
109 |
257 |
|
|
3 |
E |
896 |
907 |
1.013 |
109 |
258 |
|
|
4 |
E |
490 |
492 |
1.004 |
109 |
259 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
687 |
690 |
1.004 |
110 |
260 |
|
|
2 |
A2" |
292 |
297 |
1.018 |
110 |
261 |
|
|
3 |
E' |
952 |
935 |
0.983 |
110 |
262 |
|
|
4 |
E' |
243 |
263 |
1.082 |
110 |
263 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
874 |
892 |
1.021 |
111 |
264 |
|
|
2 |
A1 |
472 |
487 |
1.032 |
111 |
265 |
|
|
3 |
E |
840 |
860 |
1.023 |
111 |
266 |
|
|
4 |
E |
335 |
344 |
1.026 |
111 |
267 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2704 |
2617 |
0.968 |
112 |
268 |
|
|
2 |
A1 |
726 |
740 |
1.019 |
112 |
269 |
|
|
4 |
B1 |
787 |
784 |
0.996 |
112 |
270 |
|
|
5 |
B2 |
1094 |
1089 |
0.995 |
112 |
271 |
|
|
6 |
B2 |
886 |
892 |
1.007 |
112 |
272 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1346 |
1267 |
0.942 |
113 |
273 |
|
|
2 |
A1 |
810 |
793 |
0.978 |
113 |
274 |
|
|
3 |
A1 |
371 |
364 |
0.981 |
113 |
275 |
|
|
4 |
B1 |
674 |
652 |
0.966 |
113 |
276 |
|
|
5 |
B2 |
1775 |
1684 |
0.949 |
113 |
277 |
|
|
6 |
B2 |
410 |
408 |
0.996 |
113 |
278 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
748 |
752 |
1.005 |
114 |
279 |
|
|
2 |
A1 |
529 |
529 |
0.999 |
114 |
280 |
|
|
3 |
A1 |
313 |
328 |
1.047 |
114 |
281 |
|
|
4 |
B1 |
334 |
328 |
0.983 |
114 |
282 |
|
|
5 |
B2 |
713 |
702 |
0.985 |
114 |
283 |
|
|
6 |
B2 |
419 |
442 |
1.056 |
114 |
284 |
C2Cl2 |
dichloroacetylene |
4 |
Πg |
374 |
333 |
0.891 |
115 |
285 |
|
|
5 |
Πu |
181 |
172 |
0.952 |
115 |
286 |
CCl2O |
Phosgene |
1 |
A1 |
1873 |
1827 |
0.975 |
116 |
287 |
|
|
2 |
A1 |
557 |
567 |
1.018 |
116 |
288 |
|
|
3 |
A1 |
298 |
285 |
0.956 |
116 |
289 |
|
|
4 |
B1 |
590 |
580 |
0.983 |
116 |
290 |
|
|
5 |
B2 |
812 |
849 |
1.046 |
116 |
291 |
|
|
6 |
B2 |
436 |
440 |
1.010 |
116 |
292 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
822 |
820 |
0.998 |
117 |
293 |
|
|
2 |
A1 |
502 |
500 |
0.996 |
117 |
294 |
|
|
3 |
A1 |
232 |
250 |
1.077 |
117 |
295 |
|
|
4 |
B1 |
260 |
260 |
1.002 |
117 |
296 |
|
|
5 |
B2 |
941 |
900 |
0.956 |
117 |
297 |
|
|
6 |
B2 |
183 |
200 |
1.091 |
117 |
298 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
467 |
471 |
1.008 |
118 |
299 |
|
|
2 |
A2" |
454 |
460 |
1.013 |
118 |
300 |
|
|
3 |
E' |
935 |
956 |
1.023 |
118 |
301 |
|
|
4 |
E' |
254 |
243 |
0.958 |
118 |
302 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
877 |
850 |
0.970 |
119 |
303 |
|
|
2 |
A1 |
430 |
450 |
1.046 |
119 |
304 |
|
|
3 |
A1 |
149 |
150 |
1.005 |
119 |
305 |
|
|
4 |
B1 |
230 |
220 |
0.955 |
119 |
306 |
|
|
5 |
B2 |
625 |
610 |
0.976 |
119 |
307 |
|
|
6 |
B2 |
201 |
200 |
0.993 |
119 |
308 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
379 |
375 |
0.990 |
120 |
309 |
|
|
2 |
A2" |
203 |
183 |
0.901 |
120 |
310 |
|
|
3 |
E' |
611 |
595 |
0.973 |
120 |
311 |
|
|
4 |
E' |
145 |
150 |
1.034 |
120 |
312 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
498 |
504 |
1.013 |
121 |
313 |
|
|
2 |
A1 |
250 |
252 |
1.008 |
121 |
314 |
|
|
3 |
E |
478 |
482 |
1.009 |
121 |
315 |
|
|
4 |
E |
180 |
198 |
1.100 |
121 |
316 |
ClSSCl |
Disulfur dichloride |
1 |
A |
544 |
546 |
1.003 |
122 |
317 |
|
|
2 |
A |
439 |
466 |
1.061 |
122 |
318 |
|
|
3 |
A |
205 |
202 |
0.984 |
122 |
319 |
|
|
4 |
A |
96 |
95 |
0.985 |
122 |
320 |
|
|
5 |
B |
425 |
461 |
1.086 |
122 |
321 |
|
|
6 |
B |
235 |
244 |
1.038 |
122 |
322 |
CH4 |
Methane |
1 |
A1 |
3028 |
2917 |
0.963 |
123 |
323 |
|
|
2 |
E |
1560 |
1534 |
0.983 |
123 |
324 |
|
|
3 |
T2 |
3131 |
3019 |
0.964 |
123 |
325 |
|
|
4 |
T2 |
1343 |
1306 |
0.973 |
123 |
326 |
SiH4 |
Silane |
1 |
A1 |
2229 |
2187 |
0.981 |
124 |
327 |
|
|
2 |
E |
979 |
975 |
0.996 |
124 |
328 |
|
|
3 |
T2 |
2235 |
2191 |
0.980 |
124 |
329 |
|
|
4 |
T2 |
923 |
914 |
0.991 |
124 |
330 |
CH2NH |
Methanimine |
1 |
A' |
3425 |
3263 |
0.952 |
125 |
331 |
|
|
2 |
A' |
3103 |
3024 |
0.975 |
125 |
332 |
|
|
3 |
A' |
3010 |
2914 |
0.968 |
125 |
333 |
|
|
4 |
A' |
1714 |
1638 |
0.956 |
125 |
334 |
|
|
5 |
A' |
1493 |
1452 |
0.972 |
125 |
335 |
|
|
6 |
A' |
1372 |
1344 |
0.980 |
125 |
336 |
|
|
7 |
A' |
1074 |
1058 |
0.985 |
125 |
337 |
|
|
8 |
A" |
1169 |
1127 |
0.964 |
125 |
338 |
|
|
9 |
A" |
1102 |
1061 |
0.962 |
125 |
339 |
NH2OH |
hydroxylamine |
1 |
A' |
3814 |
3650 |
0.957 |
126 |
340 |
|
|
2 |
A' |
3437 |
3294 |
0.959 |
126 |
341 |
|
|
3 |
A' |
1664 |
1605 |
0.964 |
126 |
342 |
|
|
4 |
A' |
1400 |
1353 |
0.966 |
126 |
343 |
|
|
5 |
A' |
1151 |
1115 |
0.969 |
126 |
344 |
|
|
6 |
A' |
925 |
895 |
0.967 |
126 |
345 |
|
|
7 |
A" |
3514 |
3359 |
0.956 |
126 |
346 |
|
|
8 |
A" |
1325 |
1295 |
0.977 |
126 |
347 |
|
|
9 |
A" |
404 |
386 |
0.955 |
126 |
348 |
CH2CO |
Ketene |
1 |
A1 |
3182 |
3070 |
0.965 |
127 |
349 |
|
|
2 |
A1 |
2222 |
2152 |
0.968 |
127 |
350 |
|
|
3 |
A1 |
1413 |
1388 |
0.982 |
127 |
351 |
|
|
4 |
A1 |
1172 |
1118 |
0.954 |
127 |
352 |
|
|
5 |
B1 |
594 |
588 |
0.990 |
127 |
353 |
|
|
6 |
B1 |
552 |
528 |
0.956 |
127 |
354 |
|
|
7 |
B2 |
3273 |
3166 |
0.967 |
127 |
355 |
|
|
8 |
B2 |
990 |
977 |
0.986 |
127 |
356 |
|
|
9 |
B2 |
443 |
433 |
0.978 |
127 |
357 |
HCOOH |
Formic acid |
1 |
A' |
3722 |
3570 |
0.959 |
128 |
358 |
|
|
2 |
A' |
3043 |
2943 |
0.967 |
128 |
359 |
|
|
3 |
A' |
1825 |
1770 |
0.970 |
128 |
360 |
|
|
4 |
A' |
1406 |
1387 |
0.987 |
128 |
361 |
|
|
5 |
A' |
1307 |
1229 |
0.940 |
128 |
362 |
|
|
6 |
A' |
1126 |
1105 |
0.981 |
128 |
363 |
|
|
7 |
A' |
630 |
625 |
0.992 |
128 |
364 |
|
|
8 |
A" |
1056 |
1033 |
0.978 |
128 |
365 |
|
|
9 |
A" |
688 |
638 |
0.928 |
128 |
366 |
HNO3 |
Nitric acid |
1 |
A' |
3724 |
3550 |
0.953 |
129 |
367 |
|
|
2 |
A' |
1764 |
1708 |
0.968 |
129 |
368 |
|
|
3 |
A' |
1350 |
1331 |
0.986 |
129 |
369 |
|
|
4 |
A' |
1322 |
1325 |
1.002 |
129 |
370 |
|
|
5 |
A' |
905 |
879 |
0.971 |
129 |
371 |
|
|
6 |
A' |
651 |
647 |
0.994 |
129 |
372 |
|
|
7 |
A' |
587 |
579 |
0.986 |
129 |
373 |
|
|
8 |
A" |
786 |
762 |
0.969 |
129 |
374 |
|
|
9 |
A" |
494 |
456 |
0.923 |
129 |
375 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2265 |
2196 |
0.970 |
130 |
376 |
|
|
2 |
Σg |
783 |
786 |
1.004 |
130 |
377 |
|
|
3 |
Σu |
2395 |
2258 |
0.943 |
130 |
378 |
|
|
4 |
Σu |
1647 |
1573 |
0.955 |
130 |
379 |
|
|
5 |
Πg |
589 |
573 |
0.973 |
130 |
380 |
|
|
6 |
Πu |
567 |
550 |
0.969 |
130 |
381 |
|
|
7 |
Πu |
56 |
61 |
1.081 |
130 |
382 |
CH3F |
Methyl fluoride |
1 |
A1 |
3025 |
2930 |
0.969 |
131 |
383 |
|
|
2 |
A1 |
1490 |
1464 |
0.983 |
131 |
384 |
|
|
3 |
A1 |
1058 |
1049 |
0.991 |
131 |
385 |
|
|
4 |
E |
3101 |
3006 |
0.969 |
131 |
386 |
|
|
5 |
E |
1494 |
1467 |
0.982 |
131 |
387 |
|
|
6 |
E |
1195 |
1182 |
0.989 |
131 |
388 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3043 |
2948 |
0.969 |
132 |
389 |
|
|
2 |
A1 |
1535 |
1508 |
0.983 |
132 |
390 |
|
|
3 |
A1 |
1113 |
1111 |
0.999 |
132 |
391 |
|
|
4 |
A1 |
526 |
529 |
1.005 |
132 |
392 |
|
|
5 |
A2 |
1272 |
1262 |
0.992 |
132 |
393 |
|
|
6 |
B1 |
3112 |
3014 |
0.968 |
132 |
394 |
|
|
7 |
B1 |
1185 |
1178 |
0.994 |
132 |
395 |
|
|
8 |
B2 |
1463 |
1435 |
0.981 |
132 |
396 |
|
|
9 |
B2 |
1084 |
1090 |
1.005 |
132 |
397 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3121 |
3036 |
0.973 |
133 |
398 |
|
|
2 |
A1 |
1136 |
1117 |
0.983 |
133 |
399 |
|
|
3 |
A1 |
696 |
700 |
1.006 |
133 |
400 |
|
|
4 |
E |
1393 |
1372 |
0.985 |
133 |
401 |
|
|
5 |
E |
1144 |
1152 |
1.007 |
133 |
402 |
|
|
6 |
E |
503 |
507 |
1.008 |
133 |
403 |
FNO3 |
Fluorine nitrate |
1 |
A' |
1836 |
1759 |
0.958 |
134 |
404 |
|
|
2 |
A' |
1353 |
1301 |
0.962 |
134 |
405 |
|
|
3 |
A' |
1013 |
928 |
0.916 |
134 |
406 |
|
|
4 |
A' |
821 |
804 |
0.979 |
134 |
407 |
|
|
5 |
A' |
656 |
633 |
0.965 |
134 |
408 |
|
|
6 |
A' |
459 |
455 |
0.991 |
134 |
409 |
|
|
7 |
A' |
298 |
303 |
1.016 |
134 |
410 |
|
|
8 |
A" |
729 |
709 |
0.972 |
134 |
411 |
|
|
9 |
A" |
164 |
152 |
0.926 |
134 |
412 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
904 |
909 |
1.005 |
135 |
413 |
|
|
2 |
E |
429 |
435 |
1.014 |
135 |
414 |
|
|
3 |
T2 |
1257 |
1283 |
1.021 |
135 |
415 |
|
|
4 |
T2 |
623 |
631 |
1.013 |
135 |
416 |
SiH3F |
monofluorosilane |
1 |
A1 |
2244 |
2206 |
0.983 |
136 |
417 |
|
|
2 |
A1 |
997 |
990 |
0.993 |
136 |
418 |
|
|
3 |
A1 |
864 |
872 |
1.009 |
136 |
419 |
|
|
4 |
E |
2250 |
2196 |
0.976 |
136 |
420 |
|
|
5 |
E |
965 |
956 |
0.991 |
136 |
421 |
|
|
6 |
E |
726 |
728 |
1.002 |
136 |
422 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
781 |
800 |
1.024 |
137 |
423 |
|
|
2 |
E |
258 |
268 |
1.041 |
137 |
424 |
|
|
3 |
T2 |
1016 |
1032 |
1.016 |
137 |
425 |
|
|
4 |
T2 |
380 |
389 |
1.023 |
137 |
426 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1422 |
1417 |
0.997 |
138 |
427 |
|
|
2 |
A1 |
855 |
873 |
1.021 |
138 |
428 |
|
|
3 |
A1 |
471 |
472 |
1.002 |
138 |
429 |
|
|
4 |
E |
974 |
991 |
1.018 |
138 |
430 |
|
|
5 |
E |
462 |
482 |
1.043 |
138 |
431 |
|
|
6 |
E |
326 |
336 |
1.031 |
138 |
432 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3070 |
2966 |
0.966 |
139 |
433 |
|
|
2 |
A1 |
1379 |
1355 |
0.983 |
139 |
434 |
|
|
3 |
A1 |
713 |
732 |
1.027 |
139 |
435 |
|
|
4 |
E |
3163 |
3042 |
0.962 |
139 |
436 |
|
|
5 |
E |
1483 |
1455 |
0.981 |
139 |
437 |
|
|
6 |
E |
1027 |
1015 |
0.989 |
139 |
438 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2245 |
2201 |
0.980 |
140 |
439 |
|
|
2 |
A1 |
954 |
949 |
0.994 |
140 |
440 |
|
|
3 |
A1 |
535 |
551 |
1.030 |
140 |
441 |
|
|
4 |
E |
2257 |
2195 |
0.973 |
140 |
442 |
|
|
5 |
E |
959 |
954 |
0.995 |
140 |
443 |
|
|
6 |
E |
659 |
664 |
1.008 |
140 |
444 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
279 |
2999 |
10.767 |
141 |
445 |
|
|
2 |
A1 |
700 |
1467 |
2.094 |
141 |
446 |
|
|
3 |
A1 |
1462 |
717 |
0.490 |
141 |
447 |
|
|
4 |
A1 |
3118 |
282 |
0.090 |
141 |
448 |
|
|
5 |
A2 |
1172 |
1153 |
0.984 |
141 |
449 |
|
|
6 |
B1 |
901 |
3040 |
3.374 |
141 |
450 |
|
|
7 |
B1 |
3192 |
898 |
0.281 |
141 |
451 |
|
|
8 |
B2 |
718 |
1268 |
1.765 |
141 |
452 |
|
|
9 |
B2 |
1287 |
758 |
0.589 |
141 |
453 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1077 |
1105 |
1.026 |
142 |
454 |
|
|
2 |
A1 |
776 |
781 |
1.007 |
142 |
455 |
|
|
3 |
A1 |
459 |
476 |
1.037 |
142 |
456 |
|
|
4 |
E |
1205 |
1212 |
1.006 |
142 |
457 |
|
|
5 |
E |
557 |
563 |
1.011 |
142 |
458 |
|
|
6 |
E |
342 |
350 |
1.022 |
142 |
459 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2264 |
2224 |
0.982 |
143 |
460 |
|
|
2 |
A1 |
961 |
954 |
0.993 |
143 |
461 |
|
|
3 |
A1 |
514 |
527 |
1.026 |
143 |
462 |
|
|
4 |
A1 |
184 |
188 |
1.023 |
143 |
463 |
|
|
5 |
A2 |
714 |
710 |
0.994 |
143 |
464 |
|
|
6 |
B1 |
2279 |
2237 |
0.982 |
143 |
465 |
|
|
7 |
B1 |
596 |
602 |
1.009 |
143 |
466 |
|
|
8 |
B2 |
880 |
876 |
0.996 |
143 |
467 |
|
|
9 |
B2 |
573 |
590 |
1.030 |
143 |
468 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
1062 |
1061 |
0.999 |
144 |
469 |
|
|
2 |
A1 |
710 |
715 |
1.007 |
144 |
470 |
|
|
3 |
A1 |
535 |
549 |
1.027 |
144 |
471 |
|
|
4 |
E |
1317 |
1315 |
0.998 |
144 |
472 |
|
|
5 |
E |
581 |
589 |
1.014 |
144 |
473 |
|
|
6 |
E |
394 |
405 |
1.028 |
144 |
474 |
CHCl3 |
Chloroform |
1 |
A1 |
3176 |
3034 |
0.955 |
145 |
475 |
|
|
2 |
A1 |
664 |
680 |
1.025 |
145 |
476 |
|
|
3 |
A1 |
362 |
366 |
1.011 |
145 |
477 |
|
|
4 |
E |
1235 |
1220 |
0.987 |
145 |
478 |
|
|
5 |
E |
728 |
774 |
1.064 |
145 |
479 |
|
|
6 |
E |
256 |
260 |
1.015 |
145 |
480 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1092 |
1101 |
1.008 |
146 |
481 |
|
|
2 |
A1 |
662 |
667 |
1.008 |
146 |
482 |
|
|
3 |
A1 |
445 |
458 |
1.030 |
146 |
483 |
|
|
4 |
A1 |
256 |
262 |
1.023 |
146 |
484 |
|
|
5 |
A2 |
318 |
322 |
1.014 |
146 |
485 |
|
|
6 |
B1 |
865 |
902 |
1.043 |
146 |
486 |
|
|
7 |
B1 |
426 |
437 |
1.026 |
146 |
487 |
|
|
8 |
B2 |
1157 |
1159 |
1.002 |
146 |
488 |
|
|
9 |
B2 |
432 |
446 |
1.032 |
146 |
489 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1088 |
1085 |
0.997 |
147 |
490 |
|
|
2 |
A1 |
523 |
535 |
1.022 |
147 |
491 |
|
|
3 |
A1 |
345 |
350 |
1.016 |
147 |
492 |
|
|
4 |
E |
798 |
847 |
1.062 |
147 |
493 |
|
|
5 |
E |
392 |
394 |
1.006 |
147 |
494 |
|
|
6 |
E |
240 |
241 |
1.004 |
147 |
495 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
1204 |
1205 |
1.001 |
148 |
496 |
|
|
2 |
A1 |
556 |
577 |
1.037 |
148 |
497 |
|
|
3 |
A1 |
384 |
408 |
1.063 |
148 |
498 |
|
|
4 |
A1 |
201 |
218 |
1.087 |
148 |
499 |
|
|
5 |
A2 |
269 |
282 |
1.048 |
148 |
500 |
|
|
6 |
B1 |
571 |
586 |
1.026 |
148 |
501 |
|
|
7 |
B1 |
366 |
388 |
1.061 |
148 |
502 |
|
|
8 |
B2 |
1445 |
1434 |
0.992 |
148 |
503 |
|
|
9 |
B2 |
351 |
362 |
1.032 |
148 |
504 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2301 |
2261 |
0.983 |
149 |
505 |
|
|
2 |
A1 |
482 |
499 |
1.035 |
149 |
506 |
|
|
3 |
A1 |
248 |
254 |
1.024 |
149 |
507 |
|
|
4 |
E |
805 |
811 |
1.007 |
149 |
508 |
|
|
5 |
E |
585 |
600 |
1.026 |
149 |
509 |
|
|
6 |
E |
171 |
176 |
1.029 |
149 |
510 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
449 |
459 |
1.022 |
150 |
511 |
|
|
2 |
E |
214 |
217 |
1.014 |
150 |
512 |
|
|
3 |
T2 |
735 |
776 |
1.056 |
150 |
513 |
|
|
4 |
T2 |
310 |
314 |
1.013 |
150 |
514 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1329 |
1322 |
0.995 |
151 |
515 |
|
|
2 |
A1 |
462 |
481 |
1.041 |
151 |
516 |
|
|
3 |
A1 |
259 |
266 |
1.025 |
151 |
517 |
|
|
4 |
E |
569 |
590 |
1.036 |
151 |
518 |
|
|
5 |
E |
326 |
333 |
1.021 |
151 |
519 |
|
|
6 |
E |
183 |
187 |
1.020 |
151 |
520 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
409 |
424 |
1.038 |
152 |
521 |
|
|
2 |
E |
143 |
150 |
1.049 |
152 |
522 |
|
|
3 |
T2 |
602 |
621 |
1.032 |
152 |
523 |
|
|
4 |
T2 |
217 |
221 |
1.020 |
152 |
524 |
C2H4 |
Ethylene |
1 |
Ag |
3140 |
3026 |
0.964 |
153 |
525 |
|
|
2 |
Ag |
1693 |
1623 |
0.959 |
153 |
526 |
|
|
3 |
Ag |
1382 |
1342 |
0.971 |
153 |
527 |
|
|
4 |
Au |
1067 |
1023 |
0.959 |
153 |
528 |
|
|
5 |
B1u |
3126 |
2989 |
0.956 |
153 |
529 |
|
|
6 |
B1u |
1479 |
1444 |
0.976 |
153 |
530 |
|
|
7 |
B2g |
984 |
940 |
0.955 |
153 |
531 |
|
|
8 |
B2u |
3224 |
3105 |
0.963 |
153 |
532 |
|
|
9 |
B2u |
836 |
826 |
0.987 |
153 |
533 |
|
|
10 |
B3g |
3195 |
3086 |
0.966 |
153 |
534 |
|
|
11 |
B3g |
1247 |
1217 |
0.976 |
153 |
535 |
|
|
12 |
B3u |
979 |
949 |
0.970 |
153 |
536 |
C3H3 |
Propargyl radical |
1 |
A1 |
3463 |
3322 |
0.959 |
154 |
537 |
|
|
6 |
B1 |
692 |
687 |
0.993 |
154 |
538 |
|
|
7 |
B1 |
463 |
490 |
1.058 |
154 |
539 |
C4H2 |
Diacetylene |
6 |
Πg |
663 |
627 |
0.945 |
155 |
540 |
|
|
7 |
Πg |
533 |
482 |
0.904 |
155 |
541 |
|
|
8 |
Πu |
667 |
630 |
0.945 |
155 |
542 |
|
|
9 |
Πu |
239 |
231 |
0.966 |
155 |
543 |
N2H4 |
Hydrazine |
1 |
A |
3551 |
3398 |
0.957 |
156 |
544 |
|
|
2 |
A |
3455 |
3329 |
0.964 |
156 |
545 |
|
|
3 |
A |
1687 |
1642 |
0.973 |
156 |
546 |
|
|
4 |
A |
1333 |
1275 |
0.957 |
156 |
547 |
|
|
5 |
A |
1112 |
1076 |
0.967 |
156 |
548 |
|
|
6 |
A |
810 |
780 |
0.963 |
156 |
549 |
|
|
7 |
A |
436 |
377 |
0.864 |
156 |
550 |
|
|
8 |
B |
3558 |
3350 |
0.942 |
156 |
551 |
|
|
9 |
B |
3444 |
3314 |
0.962 |
156 |
552 |
|
|
10 |
B |
1676 |
1628 |
0.971 |
156 |
553 |
|
|
11 |
B |
1300 |
1275 |
0.980 |
156 |
554 |
|
|
12 |
B |
999 |
966 |
0.967 |
156 |
555 |
CH3CN |
Acetonitrile |
1 |
A1 |
3049 |
2954 |
0.969 |
157 |
556 |
|
|
2 |
A1 |
2367 |
2267 |
0.958 |
157 |
557 |
|
|
3 |
A1 |
1414 |
1385 |
0.979 |
157 |
558 |
|
|
4 |
A1 |
927 |
920 |
0.992 |
157 |
559 |
|
|
5 |
E |
3117 |
3009 |
0.965 |
157 |
560 |
|
|
6 |
E |
1475 |
1448 |
0.981 |
157 |
561 |
|
|
7 |
E |
1063 |
1041 |
0.980 |
157 |
562 |
|
|
8 |
E |
381 |
362 |
0.951 |
157 |
563 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2381 |
2290 |
0.962 |
158 |
564 |
|
|
2 |
Σg |
2219 |
2119 |
0.955 |
158 |
565 |
|
|
3 |
Σg |
618 |
692 |
1.120 |
158 |
566 |
|
|
4 |
Σu |
2345 |
2241 |
0.956 |
158 |
567 |
|
|
5 |
Σu |
1189 |
1154 |
0.970 |
158 |
568 |
|
|
6 |
Πg |
560 |
504 |
0.900 |
158 |
569 |
|
|
7 |
Πg |
289 |
263 |
0.911 |
158 |
570 |
|
|
8 |
Πu |
512 |
472 |
0.923 |
158 |
571 |
|
|
9 |
Πu |
115 |
107 |
0.929 |
158 |
572 |
CH3OH |
Methyl alcohol |
1 |
A' |
3830 |
3681 |
0.961 |
159 |
573 |
|
|
2 |
A' |
3100 |
3000 |
0.968 |
159 |
574 |
|
|
3 |
A' |
2983 |
2844 |
0.953 |
159 |
575 |
|
|
4 |
A' |
1512 |
1477 |
0.977 |
159 |
576 |
|
|
5 |
A' |
1482 |
1455 |
0.981 |
159 |
577 |
|
|
6 |
A' |
1375 |
1345 |
0.978 |
159 |
578 |
|
|
7 |
A' |
1083 |
1060 |
0.979 |
159 |
579 |
|
|
8 |
A' |
1047 |
1033 |
0.987 |
159 |
580 |
|
|
9 |
A" |
3026 |
2960 |
0.978 |
159 |
581 |
|
|
10 |
A" |
1496 |
1477 |
0.987 |
159 |
582 |
|
|
11 |
A" |
1171 |
1165 |
0.995 |
159 |
583 |
|
|
12 |
A" |
300 |
200 |
0.666 |
159 |
584 |
CHONH2 |
formamide |
1 |
A' |
3718 |
3564 |
0.959 |
160 |
585 |
|
|
2 |
A' |
3579 |
3439 |
0.961 |
160 |
586 |
|
|
3 |
A' |
2930 |
2854 |
0.974 |
160 |
587 |
|
|
4 |
A' |
1803 |
1754 |
0.973 |
160 |
588 |
|
|
5 |
A' |
1617 |
1577 |
0.975 |
160 |
589 |
|
|
6 |
A' |
1422 |
1390 |
0.978 |
160 |
590 |
|
|
7 |
A' |
1268 |
1258 |
0.992 |
160 |
591 |
|
|
8 |
A' |
1055 |
1046 |
0.991 |
160 |
592 |
|
|
9 |
A' |
568 |
581 |
1.022 |
160 |
593 |
|
|
10 |
A" |
1046 |
1021 |
0.977 |
160 |
594 |
|
|
11 |
A" |
647 |
603 |
0.932 |
160 |
595 |
|
|
12 |
A" |
214 |
289 |
1.350 |
160 |
596 |
C2H2O2 |
Ethanedial |
1 |
Ag |
2938 |
2843 |
0.968 |
161 |
597 |
|
|
2 |
Ag |
1803 |
1745 |
0.968 |
161 |
598 |
|
|
3 |
Ag |
1380 |
1338 |
0.970 |
161 |
599 |
|
|
4 |
Ag |
1067 |
1065 |
0.999 |
161 |
600 |
|
|
5 |
Ag |
553 |
551 |
0.996 |
161 |
601 |
|
|
6 |
Au |
815 |
801 |
0.983 |
161 |
602 |
|
|
7 |
Au |
133 |
127 |
0.952 |
161 |
603 |
|
|
8 |
Bg |
1081 |
1048 |
0.969 |
161 |
604 |
|
|
9 |
Bu |
2934 |
2835 |
0.966 |
161 |
605 |
|
|
10 |
Bu |
1802 |
1732 |
0.961 |
161 |
606 |
|
|
11 |
Bu |
1337 |
1312 |
0.981 |
161 |
607 |
|
|
12 |
Bu |
338 |
339 |
1.004 |
161 |
608 |
CH3SH |
Methanethiol |
1 |
A' |
3132 |
3000 |
0.958 |
162 |
609 |
|
|
2 |
A' |
3051 |
2931 |
0.961 |
162 |
610 |
|
|
3 |
A' |
2678 |
2597 |
0.970 |
162 |
611 |
|
|
4 |
A' |
1489 |
1475 |
0.991 |
162 |
612 |
|
|
5 |
A' |
1359 |
1335 |
0.982 |
162 |
613 |
|
|
6 |
A' |
1099 |
1074 |
0.977 |
162 |
614 |
|
|
7 |
A' |
800 |
803 |
1.004 |
162 |
615 |
|
|
8 |
A' |
698 |
708 |
1.014 |
162 |
616 |
|
|
9 |
A" |
3133 |
3000 |
0.958 |
162 |
617 |
|
|
10 |
A" |
1477 |
1430 |
0.968 |
162 |
618 |
|
|
11 |
A" |
973 |
976 |
1.003 |
162 |
619 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3258 |
3115 |
0.956 |
163 |
620 |
|
|
2 |
A' |
3193 |
3080 |
0.964 |
163 |
621 |
|
|
3 |
A' |
3164 |
3052 |
0.965 |
163 |
622 |
|
|
4 |
A' |
1713 |
1654 |
0.966 |
163 |
623 |
|
|
5 |
A' |
1418 |
1380 |
0.973 |
163 |
624 |
|
|
6 |
A' |
1337 |
1306 |
0.977 |
163 |
625 |
|
|
7 |
A' |
1173 |
1156 |
0.986 |
163 |
626 |
|
|
8 |
A' |
941 |
929 |
0.988 |
163 |
627 |
|
|
9 |
A' |
488 |
483 |
0.989 |
163 |
628 |
|
|
10 |
A" |
970 |
940 |
0.970 |
163 |
629 |
|
|
11 |
A" |
896 |
863 |
0.963 |
163 |
630 |
|
|
12 |
A" |
734 |
711 |
0.969 |
163 |
631 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3195 |
3070 |
0.961 |
164 |
632 |
|
|
2 |
A1 |
1775 |
1728 |
0.974 |
164 |
633 |
|
|
3 |
A1 |
1415 |
1360 |
0.961 |
164 |
634 |
|
|
4 |
A1 |
940 |
926 |
0.985 |
164 |
635 |
|
|
5 |
A1 |
551 |
550 |
0.998 |
164 |
636 |
|
|
6 |
A2 |
722 |
714 |
0.989 |
164 |
637 |
|
|
7 |
B1 |
833 |
803 |
0.964 |
164 |
638 |
|
|
8 |
B1 |
636 |
611 |
0.960 |
164 |
639 |
|
|
9 |
B2 |
3294 |
3154 |
0.958 |
164 |
640 |
|
|
10 |
B2 |
1309 |
1302 |
0.994 |
164 |
641 |
|
|
11 |
B2 |
963 |
955 |
0.992 |
164 |
642 |
|
|
12 |
B2 |
443 |
438 |
0.990 |
164 |
643 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2385 |
2275 |
0.954 |
165 |
644 |
|
|
2 |
A1 |
1223 |
1227 |
1.003 |
165 |
645 |
|
|
3 |
A1 |
809 |
802 |
0.991 |
165 |
646 |
|
|
4 |
A1 |
520 |
522 |
1.005 |
165 |
647 |
|
|
5 |
E |
1188 |
1214 |
1.022 |
165 |
648 |
|
|
6 |
E |
629 |
618 |
0.983 |
165 |
649 |
|
|
7 |
E |
465 |
463 |
0.996 |
165 |
650 |
|
|
8 |
E |
195 |
196 |
1.003 |
165 |
651 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1910 |
1872 |
0.980 |
166 |
652 |
|
|
2 |
Ag |
796 |
778 |
0.978 |
166 |
653 |
|
|
3 |
Ag |
399 |
394 |
0.988 |
166 |
654 |
|
|
4 |
Au |
200 |
190 |
0.952 |
166 |
655 |
|
|
5 |
B1u |
1187 |
1186 |
0.999 |
166 |
656 |
|
|
6 |
B1u |
554 |
558 |
1.007 |
166 |
657 |
|
|
7 |
B2g |
550 |
508 |
0.923 |
166 |
658 |
|
|
8 |
B2u |
1329 |
1337 |
1.006 |
166 |
659 |
|
|
9 |
B2u |
211 |
218 |
1.035 |
166 |
660 |
|
|
10 |
B3g |
1335 |
1340 |
1.004 |
166 |
661 |
|
|
11 |
B3g |
554 |
551 |
0.995 |
166 |
662 |
|
|
12 |
B3u |
421 |
406 |
0.965 |
166 |
663 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
796 |
816 |
1.025 |
167 |
664 |
|
|
2 |
A1' |
637 |
648 |
1.016 |
167 |
665 |
|
|
3 |
A2" |
943 |
947 |
1.004 |
167 |
666 |
|
|
4 |
A2" |
565 |
575 |
1.017 |
167 |
667 |
|
|
5 |
E' |
1004 |
1024 |
1.020 |
167 |
668 |
|
|
6 |
E' |
522 |
533 |
1.022 |
167 |
669 |
|
|
7 |
E' |
167 |
174 |
1.044 |
167 |
670 |
|
|
8 |
E" |
501 |
520 |
1.037 |
167 |
671 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3241 |
3121 |
0.963 |
168 |
672 |
|
|
2 |
A' |
3205 |
3086 |
0.963 |
168 |
673 |
|
|
3 |
A' |
3151 |
3030 |
0.962 |
168 |
674 |
|
|
4 |
A' |
1666 |
1608 |
0.965 |
168 |
675 |
|
|
5 |
A' |
1410 |
1368 |
0.970 |
168 |
676 |
|
|
6 |
A' |
1307 |
1279 |
0.978 |
168 |
677 |
|
|
7 |
A' |
1045 |
1030 |
0.986 |
168 |
678 |
|
|
8 |
A' |
705 |
720 |
1.022 |
168 |
679 |
|
|
9 |
A' |
400 |
395 |
0.988 |
168 |
680 |
|
|
10 |
A" |
980 |
941 |
0.960 |
168 |
681 |
|
|
11 |
A" |
935 |
896 |
0.959 |
168 |
682 |
|
|
12 |
A" |
638 |
620 |
0.971 |
168 |
683 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3169 |
3035 |
0.958 |
169 |
684 |
|
|
2 |
A1 |
1661 |
1627 |
0.979 |
169 |
685 |
|
|
3 |
A1 |
1406 |
1400 |
0.996 |
169 |
686 |
|
|
4 |
A1 |
597 |
603 |
1.010 |
169 |
687 |
|
|
5 |
A1 |
297 |
299 |
1.005 |
169 |
688 |
|
|
6 |
A2 |
696 |
686 |
0.986 |
169 |
689 |
|
|
7 |
B1 |
904 |
875 |
0.967 |
169 |
690 |
|
|
8 |
B1 |
478 |
460 |
0.961 |
169 |
691 |
|
|
9 |
B2 |
3262 |
3130 |
0.959 |
169 |
692 |
|
|
10 |
B2 |
1099 |
1095 |
0.996 |
169 |
693 |
|
|
11 |
B2 |
764 |
800 |
1.047 |
169 |
694 |
|
|
12 |
B2 |
379 |
372 |
0.982 |
169 |
695 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3220 |
3077 |
0.956 |
170 |
696 |
|
|
2 |
A1 |
1646 |
1587 |
0.964 |
170 |
697 |
|
|
3 |
A1 |
1216 |
1179 |
0.969 |
170 |
698 |
|
|
4 |
A1 |
708 |
711 |
1.005 |
170 |
699 |
|
|
5 |
A1 |
166 |
173 |
1.041 |
170 |
700 |
|
|
6 |
A2 |
912 |
876 |
0.960 |
170 |
701 |
|
|
7 |
A2 |
424 |
406 |
0.957 |
170 |
702 |
|
|
8 |
B1 |
713 |
697 |
0.978 |
170 |
703 |
|
|
9 |
B2 |
3199 |
3072 |
0.960 |
170 |
704 |
|
|
10 |
B2 |
1322 |
1303 |
0.986 |
170 |
705 |
|
|
11 |
B2 |
849 |
857 |
1.009 |
170 |
706 |
|
|
12 |
B2 |
574 |
571 |
0.994 |
170 |
707 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3221 |
3073 |
0.954 |
171 |
708 |
|
|
2 |
Ag |
1644 |
1578 |
0.960 |
171 |
709 |
|
|
3 |
Ag |
1305 |
1274 |
0.976 |
171 |
710 |
|
|
4 |
Ag |
846 |
846 |
1.001 |
171 |
711 |
|
|
5 |
Ag |
351 |
350 |
0.998 |
171 |
712 |
|
|
6 |
Au |
934 |
900 |
0.963 |
171 |
713 |
|
|
7 |
Au |
213 |
227 |
1.065 |
171 |
714 |
|
|
8 |
Bg |
806 |
763 |
0.947 |
171 |
715 |
|
|
9 |
Bu |
3219 |
3090 |
0.960 |
171 |
716 |
|
|
10 |
Bu |
1225 |
1200 |
0.980 |
171 |
717 |
|
|
11 |
Bu |
810 |
828 |
1.022 |
171 |
718 |
|
|
12 |
Bu |
238 |
250 |
1.051 |
171 |
719 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3228 |
3082 |
0.955 |
172 |
720 |
|
|
2 |
A' |
1638 |
1586 |
0.968 |
172 |
721 |
|
|
3 |
A' |
1273 |
1247 |
0.979 |
172 |
722 |
|
|
4 |
A' |
912 |
931 |
1.021 |
172 |
723 |
|
|
5 |
A' |
829 |
840 |
1.013 |
172 |
724 |
|
|
6 |
A' |
628 |
630 |
1.003 |
172 |
725 |
|
|
7 |
A' |
385 |
384 |
0.997 |
172 |
726 |
|
|
8 |
A' |
276 |
277 |
1.005 |
172 |
727 |
|
|
9 |
A' |
171 |
178 |
1.042 |
172 |
728 |
|
|
10 |
A" |
815 |
780 |
0.957 |
172 |
729 |
|
|
11 |
A" |
476 |
451 |
0.947 |
172 |
730 |
|
|
12 |
A" |
205 |
215 |
1.048 |
172 |
731 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1125 |
1122 |
0.997 |
173 |
732 |
|
|
2 |
A1 |
400 |
401 |
1.003 |
173 |
733 |
|
|
3 |
A1 |
171 |
176 |
1.027 |
173 |
734 |
|
|
5 |
B2 |
720 |
728 |
1.011 |
173 |
735 |
|
|
6 |
B2 |
288 |
289 |
1.002 |
173 |
736 |
|
|
7 |
E |
894 |
917 |
1.026 |
173 |
737 |
|
|
8 |
E |
494 |
512 |
1.037 |
173 |
738 |
|
|
9 |
E |
99 |
104 |
1.048 |
173 |
739 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1610 |
1571 |
0.976 |
174 |
740 |
|
|
2 |
Ag |
447 |
447 |
1.001 |
174 |
741 |
|
|
3 |
Ag |
237 |
237 |
0.998 |
174 |
742 |
|
|
4 |
Au |
99 |
110 |
1.114 |
174 |
743 |
|
|
5 |
B1u |
772 |
777 |
1.007 |
174 |
744 |
|
|
6 |
B1u |
313 |
310 |
0.990 |
174 |
745 |
|
|
7 |
B2g |
550 |
512 |
0.931 |
174 |
746 |
|
|
8 |
B2u |
879 |
908 |
1.033 |
174 |
747 |
|
|
9 |
B2u |
177 |
176 |
0.993 |
174 |
748 |
|
|
10 |
B3g |
964 |
1000 |
1.037 |
174 |
749 |
|
|
11 |
B3g |
346 |
347 |
1.002 |
174 |
750 |
|
|
12 |
B3u |
294 |
288 |
0.979 |
174 |
751 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
375 |
394 |
1.050 |
175 |
752 |
|
|
2 |
A1' |
269 |
264 |
0.981 |
175 |
753 |
|
|
3 |
A2" |
436 |
465 |
1.066 |
175 |
754 |
|
|
4 |
A2" |
293 |
299 |
1.020 |
175 |
755 |
|
|
5 |
E' |
553 |
592 |
1.070 |
175 |
756 |
|
|
6 |
E' |
266 |
273 |
1.025 |
175 |
757 |
|
|
7 |
E' |
88 |
100 |
1.136 |
175 |
758 |
|
|
8 |
E" |
255 |
282 |
1.108 |
175 |
759 |
CH3CCH |
propyne |
1 |
A1 |
3473 |
3334 |
0.960 |
176 |
760 |
|
|
2 |
A1 |
3028 |
2918 |
0.964 |
176 |
761 |
|
|
3 |
A1 |
2229 |
2124 |
0.953 |
176 |
762 |
|
|
4 |
A1 |
1418 |
1382 |
0.975 |
176 |
763 |
|
|
5 |
A1 |
942 |
931 |
0.988 |
176 |
764 |
|
|
6 |
E |
3085 |
3008 |
0.975 |
176 |
765 |
|
|
7 |
E |
1479 |
1452 |
0.982 |
176 |
766 |
|
|
8 |
E |
1058 |
1053 |
0.995 |
176 |
767 |
|
|
9 |
E |
666 |
633 |
0.951 |
176 |
768 |
|
|
10 |
E |
345 |
328 |
0.951 |
176 |
769 |
CH2CCH2 |
allene |
1 |
A1 |
3124 |
3015 |
0.965 |
177 |
770 |
|
|
2 |
A1 |
1485 |
1443 |
0.972 |
177 |
771 |
|
|
3 |
A1 |
1111 |
1073 |
0.966 |
177 |
772 |
|
|
4 |
B1 |
884 |
865 |
0.978 |
177 |
773 |
|
|
5 |
B2 |
3120 |
3007 |
0.964 |
177 |
774 |
|
|
6 |
B2 |
2048 |
1957 |
0.956 |
177 |
775 |
|
|
7 |
B2 |
1428 |
1398 |
0.979 |
177 |
776 |
|
|
8 |
E |
3194 |
3086 |
0.966 |
177 |
777 |
|
|
9 |
E |
1020 |
999 |
0.979 |
177 |
778 |
|
|
10 |
E |
872 |
841 |
0.964 |
177 |
779 |
|
|
11 |
E |
373 |
355 |
0.952 |
177 |
780 |
CH3NH2 |
methyl amine |
1 |
A' |
3493 |
3361 |
0.962 |
178 |
781 |
|
|
2 |
A' |
3054 |
2961 |
0.970 |
178 |
782 |
|
|
3 |
A' |
2962 |
2820 |
0.952 |
178 |
783 |
|
|
4 |
A' |
1665 |
1623 |
0.975 |
178 |
784 |
|
|
5 |
A' |
1498 |
1473 |
0.983 |
178 |
785 |
|
|
6 |
A' |
1459 |
1430 |
0.980 |
178 |
786 |
|
|
7 |
A' |
1174 |
1130 |
0.963 |
178 |
787 |
|
|
8 |
A' |
1053 |
1044 |
0.992 |
178 |
788 |
|
|
9 |
A' |
844 |
780 |
0.924 |
178 |
789 |
|
|
10 |
A" |
3568 |
3427 |
0.961 |
178 |
790 |
|
|
11 |
A" |
3088 |
2985 |
0.967 |
178 |
791 |
|
|
12 |
A" |
1519 |
1485 |
0.978 |
178 |
792 |
|
|
13 |
A" |
1350 |
1335 |
0.989 |
178 |
793 |
|
|
14 |
A" |
976 |
|
|
178 |
794 |
|
|
15 |
A" |
302 |
268 |
0.889 |
178 |
795 |
C3H3N |
acrylonitrile |
1 |
A' |
3247 |
3125 |
0.962 |
179 |
796 |
|
|
2 |
A' |
3170 |
3078 |
0.971 |
179 |
797 |
|
|
3 |
A' |
3156 |
3042 |
0.964 |
179 |
798 |
|
|
4 |
A' |
2337 |
2239 |
0.958 |
179 |
799 |
|
|
5 |
A' |
1678 |
1615 |
0.962 |
179 |
800 |
|
|
6 |
A' |
1452 |
1416 |
0.975 |
179 |
801 |
|
|
7 |
A' |
1325 |
1282 |
0.968 |
179 |
802 |
|
|
8 |
A' |
1114 |
1096 |
0.984 |
179 |
803 |
|
|
9 |
A' |
883 |
869 |
0.984 |
179 |
804 |
|
|
10 |
A' |
583 |
570 |
0.978 |
179 |
805 |
|
|
11 |
A' |
238 |
242 |
1.015 |
179 |
806 |
|
|
12 |
A" |
1012 |
972 |
0.960 |
179 |
807 |
|
|
13 |
A" |
996 |
954 |
0.958 |
179 |
808 |
|
|
14 |
A" |
716 |
683 |
0.955 |
179 |
809 |
|
|
15 |
A" |
351 |
362 |
1.031 |
179 |
810 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3044 |
2935 |
0.964 |
180 |
811 |
|
|
2 |
A1 |
2380 |
2275 |
0.956 |
180 |
812 |
|
|
3 |
A1 |
1448 |
1395 |
0.963 |
180 |
813 |
|
|
4 |
A1 |
900 |
890 |
0.989 |
180 |
814 |
|
|
5 |
A1 |
585 |
582 |
0.994 |
180 |
815 |
|
|
6 |
A1 |
147 |
167 |
1.136 |
180 |
816 |
|
|
7 |
A2 |
1247 |
1220 |
0.978 |
180 |
817 |
|
|
8 |
A2 |
371 |
367 |
0.989 |
180 |
818 |
|
|
9 |
B1 |
3078 |
2968 |
0.964 |
180 |
819 |
|
|
10 |
B1 |
940 |
933 |
0.993 |
180 |
820 |
|
|
11 |
B1 |
338 |
337 |
0.998 |
180 |
821 |
|
|
12 |
B2 |
2374 |
2275 |
0.958 |
180 |
822 |
|
|
13 |
B2 |
1345 |
1318 |
0.980 |
180 |
823 |
|
|
14 |
B2 |
986 |
982 |
0.996 |
180 |
824 |
|
|
15 |
B2 |
372 |
366 |
0.984 |
180 |
825 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3136 |
3014 |
0.961 |
181 |
826 |
|
|
2 |
A' |
3023 |
2923 |
0.967 |
181 |
827 |
|
|
3 |
A' |
2865 |
2716 |
0.948 |
181 |
828 |
|
|
4 |
A' |
1816 |
1743 |
0.960 |
181 |
829 |
|
|
5 |
A' |
1461 |
1433 |
0.981 |
181 |
830 |
|
|
6 |
A' |
1426 |
1395 |
0.979 |
181 |
831 |
|
|
7 |
A' |
1380 |
1352 |
0.980 |
181 |
832 |
|
|
8 |
A' |
1130 |
1114 |
0.986 |
181 |
833 |
|
|
9 |
A' |
885 |
867 |
0.979 |
181 |
834 |
|
|
10 |
A' |
510 |
509 |
0.998 |
181 |
835 |
|
|
11 |
A" |
3075 |
2964 |
0.964 |
181 |
836 |
|
|
12 |
A" |
1470 |
1431 |
0.973 |
181 |
837 |
|
|
13 |
A" |
1137 |
1102 |
0.969 |
181 |
838 |
|
|
14 |
A" |
776 |
764 |
0.985 |
181 |
839 |
|
|
15 |
A" |
159 |
150 |
0.946 |
181 |
840 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3088 |
3006 |
0.973 |
182 |
841 |
|
|
2 |
A1 |
1541 |
1467 |
0.952 |
182 |
842 |
|
|
3 |
A1 |
1300 |
1267 |
0.974 |
182 |
843 |
|
|
4 |
A1 |
1150 |
1146 |
0.997 |
182 |
844 |
|
|
5 |
A1 |
891 |
857 |
0.962 |
182 |
845 |
|
|
6 |
A2 |
3160 |
3063 |
0.969 |
182 |
846 |
|
|
7 |
A2 |
1176 |
1050 |
0.893 |
182 |
847 |
|
|
8 |
A2 |
1046 |
1020 |
0.976 |
182 |
848 |
|
|
9 |
B1 |
3176 |
3065 |
0.965 |
182 |
849 |
|
|
10 |
B1 |
1170 |
1146 |
0.979 |
182 |
850 |
|
|
11 |
B1 |
820 |
797 |
0.972 |
182 |
851 |
|
|
12 |
B2 |
3082 |
3006 |
0.975 |
182 |
852 |
|
|
13 |
B2 |
1506 |
1459 |
0.968 |
182 |
853 |
|
|
14 |
B2 |
1156 |
1159 |
1.003 |
182 |
854 |
|
|
15 |
B2 |
845 |
824 |
0.976 |
182 |
855 |
CH3ONO |
Methyl nitrite |
1 |
A' |
3158 |
3037 |
0.962 |
183 |
856 |
|
|
2 |
A' |
3043 |
2950 |
0.970 |
183 |
857 |
|
|
3 |
A' |
1689 |
1613 |
0.955 |
183 |
858 |
|
|
4 |
A' |
1492 |
1454 |
0.975 |
183 |
859 |
|
|
5 |
A' |
1443 |
1408 |
0.976 |
183 |
860 |
|
|
6 |
A' |
1187 |
1239 |
1.043 |
183 |
861 |
|
|
7 |
A' |
993 |
991 |
0.998 |
183 |
862 |
|
|
8 |
A' |
858 |
838 |
0.977 |
183 |
863 |
|
|
9 |
A' |
648 |
627 |
0.968 |
183 |
864 |
|
|
10 |
A' |
345 |
346 |
1.002 |
183 |
865 |
|
|
11 |
A" |
3110 |
2991 |
0.962 |
183 |
866 |
|
|
12 |
A" |
1478 |
1438 |
0.973 |
183 |
867 |
|
|
13 |
A" |
1157 |
1143 |
0.987 |
183 |
868 |
|
|
14 |
A" |
367 |
|
|
183 |
869 |
|
|
15 |
A" |
181 |
186 |
1.028 |
183 |
870 |
C2H4S |
Thiirane |
1 |
A1 |
3122 |
3014 |
0.965 |
184 |
871 |
|
|
2 |
A1 |
1497 |
1457 |
0.973 |
184 |
872 |
|
|
5 |
A1 |
625 |
627 |
1.004 |
184 |
873 |
|
|
11 |
B1 |
839 |
824 |
0.983 |
184 |
874 |
|
|
12 |
B2 |
3121 |
3013 |
0.965 |
184 |
875 |
|
|
14 |
B2 |
1079 |
1051 |
0.974 |
184 |
876 |
H2SO4 |
Sulfuric acid |
1 |
A |
3766 |
3563 |
0.946 |
185 |
877 |
|
|
2 |
A |
1226 |
1216 |
0.992 |
185 |
878 |
|
|
3 |
A |
1152 |
1136 |
0.986 |
185 |
879 |
|
|
4 |
A |
815 |
831 |
1.020 |
185 |
880 |
|
|
5 |
A |
541 |
548 |
1.013 |
185 |
881 |
|
|
6 |
A |
435 |
422 |
0.970 |
185 |
882 |
|
|
7 |
A |
372 |
379 |
1.018 |
185 |
883 |
|
|
8 |
A |
243 |
224 |
0.922 |
185 |
884 |
|
|
9 |
B |
3761 |
3567 |
0.948 |
185 |
885 |
|
|
10 |
B |
1476 |
1452 |
0.984 |
185 |
886 |
|
|
11 |
B |
1168 |
1157 |
0.991 |
185 |
887 |
|
|
12 |
B |
870 |
882 |
1.014 |
185 |
888 |
|
|
13 |
B |
551 |
558 |
1.012 |
185 |
889 |
|
|
14 |
B |
495 |
506 |
1.023 |
185 |
890 |
|
|
15 |
B |
319 |
288 |
0.902 |
185 |
891 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3161 |
3043 |
0.963 |
186 |
892 |
|
|
2 |
A' |
3054 |
2955 |
0.968 |
186 |
893 |
|
|
3 |
A' |
1911 |
1870 |
0.978 |
186 |
894 |
|
|
4 |
A' |
1470 |
1440 |
0.979 |
186 |
895 |
|
|
5 |
A' |
1402 |
1378 |
0.983 |
186 |
896 |
|
|
6 |
A' |
1198 |
1188 |
0.992 |
186 |
897 |
|
|
7 |
A' |
1005 |
1000 |
0.995 |
186 |
898 |
|
|
8 |
A' |
834 |
826 |
0.990 |
186 |
899 |
|
|
9 |
A' |
600 |
598 |
0.997 |
186 |
900 |
|
|
10 |
A' |
415 |
420 |
1.013 |
186 |
901 |
|
|
11 |
A" |
3111 |
3004 |
0.965 |
186 |
902 |
|
|
12 |
A" |
1476 |
1437 |
0.974 |
186 |
903 |
|
|
13 |
A" |
1072 |
1054 |
0.983 |
186 |
904 |
|
|
14 |
A" |
572 |
567 |
0.990 |
186 |
905 |
|
|
15 |
A" |
129 |
123 |
0.951 |
186 |
906 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
748 |
774 |
1.034 |
187 |
907 |
|
|
2 |
Eg |
623 |
642 |
1.031 |
187 |
908 |
|
|
3 |
T1u |
926 |
948 |
1.024 |
187 |
909 |
|
|
4 |
T1u |
599 |
616 |
1.028 |
187 |
910 |
|
|
5 |
T2g |
508 |
525 |
1.034 |
187 |
911 |
|
|
6 |
T2u |
337 |
347 |
1.029 |
187 |
912 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3147 |
3027 |
0.962 |
188 |
913 |
|
|
2 |
A' |
3053 |
2948 |
0.966 |
188 |
914 |
|
|
3 |
A' |
1889 |
1818 |
0.962 |
188 |
915 |
|
|
4 |
A' |
1465 |
1415 |
0.966 |
188 |
916 |
|
|
5 |
A' |
1392 |
1368 |
0.983 |
188 |
917 |
|
|
6 |
A' |
1114 |
1108 |
0.995 |
188 |
918 |
|
|
7 |
A' |
955 |
956 |
1.001 |
188 |
919 |
|
|
8 |
A' |
597 |
604 |
1.012 |
188 |
920 |
|
|
9 |
A' |
428 |
445 |
1.039 |
188 |
921 |
|
|
10 |
A' |
341 |
348 |
1.020 |
188 |
922 |
|
|
11 |
A" |
3120 |
2990 |
0.958 |
188 |
923 |
|
|
12 |
A" |
1467 |
1431 |
0.975 |
188 |
924 |
|
|
13 |
A" |
1048 |
1032 |
0.985 |
188 |
925 |
|
|
14 |
A" |
521 |
518 |
0.995 |
188 |
926 |
|
|
15 |
A" |
132 |
166 |
1.256 |
188 |
927 |
B2H6 |
Diborane |
1 |
Ag |
2622 |
2530 |
0.965 |
189 |
928 |
|
|
2 |
Ag |
2179 |
2088 |
0.958 |
189 |
929 |
|
|
3 |
Ag |
1206 |
1183 |
0.981 |
189 |
930 |
|
|
4 |
Ag |
801 |
790 |
0.986 |
189 |
931 |
|
|
5 |
Au |
851 |
833 |
0.979 |
189 |
932 |
|
|
6 |
B1g |
2695 |
2596 |
0.963 |
189 |
933 |
|
|
7 |
B1g |
941 |
915 |
0.972 |
189 |
934 |
|
|
8 |
B1u |
1995 |
1930 |
0.967 |
189 |
935 |
|
|
9 |
B1u |
992 |
973 |
0.980 |
189 |
936 |
|
|
10 |
B2g |
1861 |
1760 |
0.946 |
189 |
937 |
|
|
11 |
B2g |
894 |
860 |
0.961 |
189 |
938 |
|
|
12 |
B2u |
2710 |
2609 |
0.963 |
189 |
939 |
|
|
13 |
B2u |
955 |
949 |
0.993 |
189 |
940 |
|
|
14 |
B2u |
362 |
369 |
1.017 |
189 |
941 |
|
|
15 |
B3g |
1023 |
1020 |
0.997 |
189 |
942 |
|
|
16 |
B3u |
2608 |
2520 |
0.966 |
189 |
943 |
|
|
17 |
B3u |
1717 |
1603 |
0.934 |
189 |
944 |
|
|
18 |
B3u |
1199 |
1172 |
0.978 |
189 |
945 |
C2H6 |
Ethane |
1 |
A1g |
3027 |
2954 |
0.976 |
190 |
946 |
|
|
2 |
A1g |
1423 |
1388 |
0.975 |
190 |
947 |
|
|
3 |
A1g |
995 |
995 |
1.000 |
190 |
948 |
|
|
4 |
A1u |
305 |
289 |
0.949 |
190 |
949 |
|
|
5 |
A2u |
3028 |
2896 |
0.956 |
190 |
950 |
|
|
6 |
A2u |
1413 |
1379 |
0.976 |
190 |
951 |
|
|
7 |
Eg |
3071 |
2969 |
0.967 |
190 |
952 |
|
|
8 |
Eg |
1504 |
1468 |
0.976 |
190 |
953 |
|
|
9 |
Eg |
1222 |
1190 |
0.973 |
190 |
954 |
|
|
10 |
Eu |
3096 |
2985 |
0.964 |
190 |
955 |
|
|
11 |
Eu |
1507 |
1469 |
0.975 |
190 |
956 |
|
|
12 |
Eu |
826 |
822 |
0.995 |
190 |
957 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3033 |
2898 |
0.956 |
191 |
958 |
|
|
2 |
A1 |
2213 |
2166 |
0.979 |
191 |
959 |
|
|
3 |
A1 |
1297 |
1260 |
0.971 |
191 |
960 |
|
|
4 |
A1 |
949 |
940 |
0.990 |
191 |
961 |
|
|
5 |
A1 |
692 |
700 |
1.012 |
191 |
962 |
|
|
6 |
A2 |
197 |
187 |
0.948 |
191 |
963 |
|
|
7 |
E |
3104 |
2982 |
0.961 |
191 |
964 |
|
|
8 |
E |
2212 |
2169 |
0.981 |
191 |
965 |
|
|
9 |
E |
1466 |
1403 |
0.957 |
191 |
966 |
|
|
10 |
E |
963 |
980 |
1.017 |
191 |
967 |
|
|
11 |
E |
890 |
868 |
0.976 |
191 |
968 |
|
|
12 |
E |
524 |
540 |
1.031 |
191 |
969 |
Si2H6 |
disilane |
1 |
A1g |
2210 |
2152 |
0.974 |
192 |
970 |
|
|
2 |
A1g |
927 |
909 |
0.981 |
192 |
971 |
|
|
3 |
A1g |
423 |
434 |
1.027 |
192 |
972 |
|
|
4 |
A1u |
137 |
131 |
0.956 |
192 |
973 |
|
|
5 |
A2u |
2202 |
2154 |
0.978 |
192 |
974 |
|
|
6 |
A2u |
854 |
844 |
0.988 |
192 |
975 |
|
|
7 |
Eg |
2210 |
2155 |
0.975 |
192 |
976 |
|
|
8 |
Eg |
945 |
929 |
0.984 |
192 |
977 |
|
|
9 |
Eg |
633 |
625 |
0.988 |
192 |
978 |
|
|
10 |
Eu |
2220 |
2179 |
0.981 |
192 |
979 |
|
|
11 |
Eu |
959 |
940 |
0.980 |
192 |
980 |
|
|
12 |
Eu |
373 |
379 |
1.016 |
192 |
981 |
C2H5N |
Aziridine |
1 |
A' |
3503 |
3338 |
0.953 |
193 |
982 |
|
|
2 |
A' |
3192 |
3079 |
0.965 |
193 |
983 |
|
|
3 |
A' |
3108 |
3015 |
0.970 |
193 |
984 |
|
|
4 |
A' |
1527 |
1482 |
0.971 |
193 |
985 |
|
|
5 |
A' |
1300 |
1237 |
0.952 |
193 |
986 |
|
|
6 |
A' |
1239 |
1211 |
0.977 |
193 |
987 |
|
|
7 |
A' |
1116 |
1090 |
0.976 |
193 |
988 |
|
|
8 |
A' |
1007 |
998 |
0.991 |
193 |
989 |
|
|
9 |
A' |
872 |
856 |
0.981 |
193 |
990 |
|
|
10 |
A' |
778 |
773 |
0.994 |
193 |
991 |
|
|
11 |
A" |
3178 |
3079 |
0.969 |
193 |
992 |
|
|
12 |
A" |
3103 |
3015 |
0.972 |
193 |
993 |
|
|
13 |
A" |
1499 |
1463 |
0.976 |
193 |
994 |
|
|
14 |
A" |
1272 |
1268 |
0.997 |
193 |
995 |
|
|
15 |
A" |
1155 |
1131 |
0.979 |
193 |
996 |
|
|
16 |
A" |
1119 |
1095 |
0.979 |
193 |
997 |
|
|
17 |
A" |
919 |
904 |
0.984 |
193 |
998 |
|
|
18 |
A" |
857 |
817 |
0.954 |
193 |
999 |
CH3COOH |
Acetic acid |
1 |
A' |
3743 |
3583 |
0.957 |
194 |
1000 |
|
|
2 |
A' |
3161 |
3051 |
0.965 |
194 |
1001 |
|
|
3 |
A' |
3053 |
2944 |
0.964 |
194 |
1002 |
|
|
4 |
A' |
1825 |
1788 |
0.980 |
194 |
1003 |
|
|
5 |
A' |
1473 |
1430 |
0.971 |
194 |
1004 |
|
|
6 |
A' |
1409 |
1382 |
0.981 |
194 |
1005 |
|
|
7 |
A' |
1342 |
1264 |
0.942 |
194 |
1006 |
|
|
8 |
A' |
1205 |
1182 |
0.981 |
194 |
1007 |
|
|
9 |
A' |
999 |
989 |
0.990 |
194 |
1008 |
|
|
10 |
A' |
860 |
847 |
0.985 |
194 |
1009 |
|
|
11 |
A' |
585 |
657 |
1.122 |
194 |
1010 |
|
|
12 |
A' |
423 |
|
|
194 |
1011 |
|
|
13 |
A" |
3109 |
2996 |
0.964 |
194 |
1012 |
|
|
14 |
A" |
1479 |
1430 |
0.967 |
194 |
1013 |
|
|
15 |
A" |
1070 |
1048 |
0.979 |
194 |
1014 |
|
|
16 |
A" |
671 |
642 |
0.957 |
194 |
1015 |
|
|
17 |
A" |
548 |
534 |
0.975 |
194 |
1016 |
|
|
18 |
A" |
77 |
93 |
1.204 |
194 |
1017 |
CH3OCHO |
methyl formate |
1 |
A' |
3156 |
3045 |
0.965 |
195 |
1018 |
|
|
2 |
A' |
3053 |
2969 |
0.973 |
195 |
1019 |
|
|
3 |
A' |
3032 |
2943 |
0.971 |
195 |
1020 |
|
|
4 |
A' |
1800 |
1754 |
0.974 |
195 |
1021 |
|
|
5 |
A' |
1500 |
1454 |
0.970 |
195 |
1022 |
|
|
6 |
A' |
1470 |
1445 |
0.983 |
195 |
1023 |
|
|
7 |
A' |
1399 |
1371 |
0.980 |
195 |
1024 |
|
|
8 |
A' |
1229 |
1207 |
0.982 |
195 |
1025 |
|
|
9 |
A' |
1181 |
1166 |
0.988 |
195 |
1026 |
|
|
10 |
A' |
930 |
925 |
0.995 |
195 |
1027 |
|
|
11 |
A' |
777 |
767 |
0.987 |
195 |
1028 |
|
|
12 |
A' |
298 |
318 |
1.067 |
195 |
1029 |
|
|
13 |
A" |
3122 |
3012 |
0.965 |
195 |
1030 |
|
|
14 |
A" |
1486 |
1443 |
0.971 |
195 |
1031 |
|
|
15 |
A" |
1175 |
1168 |
0.994 |
195 |
1032 |
|
|
16 |
A" |
1042 |
1032 |
0.990 |
195 |
1033 |
|
|
17 |
A" |
344 |
332 |
0.966 |
195 |
1034 |
|
|
18 |
A" |
117 |
130 |
1.111 |
195 |
1035 |
C3H3NO |
Isoxazole |
1 |
A' |
3280 |
3160 |
0.963 |
196 |
1036 |
|
|
2 |
A' |
3256 |
3128 |
0.961 |
196 |
1037 |
|
|
3 |
A' |
3235 |
3086 |
0.954 |
196 |
1038 |
|
|
4 |
A' |
1600 |
1561 |
0.976 |
196 |
1039 |
|
|
5 |
A' |
1462 |
1433 |
0.980 |
196 |
1040 |
|
|
6 |
A' |
1404 |
1371 |
0.976 |
196 |
1041 |
|
|
7 |
A' |
1251 |
1218 |
0.974 |
196 |
1042 |
|
|
8 |
A' |
1152 |
1130 |
0.981 |
196 |
1043 |
|
|
9 |
A' |
1123 |
1096 |
0.976 |
196 |
1044 |
|
|
10 |
A' |
1044 |
1024 |
0.981 |
196 |
1045 |
|
|
11 |
A' |
936 |
920 |
0.983 |
196 |
1046 |
|
|
12 |
A' |
921 |
900 |
0.977 |
196 |
1047 |
|
|
13 |
A' |
870 |
857 |
0.985 |
196 |
1048 |
|
|
14 |
A" |
920 |
890 |
0.967 |
196 |
1049 |
|
|
15 |
A" |
883 |
866 |
0.980 |
196 |
1050 |
|
|
16 |
A" |
785 |
765 |
0.974 |
196 |
1051 |
|
|
17 |
A" |
650 |
631 |
0.970 |
196 |
1052 |
|
|
18 |
A" |
610 |
592 |
0.969 |
196 |
1053 |
CH3NO3 |
Methyl nitrate |
1 |
A' |
3149 |
3008 |
0.955 |
197 |
1054 |
|
|
2 |
A' |
3052 |
2941 |
0.964 |
197 |
1055 |
|
|
3 |
A' |
1721 |
1678 |
0.975 |
197 |
1056 |
|
|
4 |
A' |
1501 |
1468 |
0.978 |
197 |
1057 |
|
|
5 |
A' |
1462 |
1430 |
0.978 |
197 |
1058 |
|
|
6 |
A' |
1325 |
1287 |
0.972 |
197 |
1059 |
|
|
7 |
A' |
1192 |
1176 |
0.986 |
197 |
1060 |
|
|
8 |
A' |
1018 |
1017 |
0.999 |
197 |
1061 |
|
|
9 |
A' |
867 |
854 |
0.985 |
197 |
1062 |
|
|
10 |
A' |
663 |
657 |
0.991 |
197 |
1063 |
|
|
11 |
A' |
571 |
578 |
1.012 |
197 |
1064 |
|
|
12 |
A' |
339 |
340 |
1.003 |
197 |
1065 |
|
|
13 |
A" |
3132 |
3008 |
0.960 |
197 |
1066 |
|
|
14 |
A" |
1475 |
1455 |
0.987 |
197 |
1067 |
|
|
15 |
A" |
1171 |
1136 |
0.970 |
197 |
1068 |
|
|
16 |
A" |
781 |
758 |
0.971 |
197 |
1069 |
|
|
17 |
A" |
198 |
|
|
197 |
1070 |
|
|
18 |
A" |
143 |
|
|
197 |
1071 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
1 |
A' |
3130 |
3015 |
0.963 |
198 |
1072 |
|
|
2 |
A' |
3061 |
2975 |
0.972 |
198 |
1073 |
|
|
3 |
A' |
3051 |
2964 |
0.972 |
198 |
1074 |
|
|
4 |
A' |
1485 |
1457 |
0.981 |
198 |
1075 |
|
|
5 |
A' |
1432 |
1413 |
0.987 |
198 |
1076 |
|
|
6 |
A' |
1393 |
1357 |
0.974 |
198 |
1077 |
|
|
7 |
A' |
1160 |
1171 |
1.010 |
198 |
1078 |
|
|
8 |
A' |
1134 |
1140 |
1.005 |
198 |
1079 |
|
|
9 |
A' |
871 |
868 |
0.996 |
198 |
1080 |
|
|
10 |
A' |
567 |
569 |
1.004 |
198 |
1081 |
|
|
11 |
A' |
464 |
468 |
1.008 |
198 |
1082 |
|
|
12 |
A" |
3126 |
|
|
198 |
1083 |
|
|
13 |
A" |
1486 |
|
|
198 |
1084 |
|
|
14 |
A" |
1386 |
1362 |
0.983 |
198 |
1085 |
|
|
15 |
A" |
1141 |
1135 |
0.995 |
198 |
1086 |
|
|
16 |
A" |
943 |
942 |
0.999 |
198 |
1087 |
|
|
17 |
A" |
382 |
|
|
198 |
1088 |
|
|
18 |
A" |
231 |
|
|
198 |
1089 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3067 |
2974 |
0.970 |
199 |
1090 |
|
|
2 |
A1 |
1431 |
1412 |
0.987 |
199 |
1091 |
|
|
3 |
A1 |
1280 |
1278 |
0.999 |
199 |
1092 |
|
|
4 |
A1 |
829 |
828 |
0.999 |
199 |
1093 |
|
|
5 |
A1 |
597 |
606 |
1.016 |
199 |
1094 |
|
|
6 |
A2 |
226 |
225 |
0.997 |
199 |
1095 |
|
|
7 |
E |
3148 |
3042 |
0.966 |
199 |
1096 |
|
|
8 |
E |
1485 |
1450 |
0.976 |
199 |
1097 |
|
|
9 |
E |
1224 |
1230 |
1.005 |
199 |
1098 |
|
|
10 |
E |
969 |
964 |
0.995 |
199 |
1099 |
|
|
11 |
E |
537 |
540 |
1.006 |
199 |
1100 |
|
|
12 |
E |
362 |
365 |
1.007 |
199 |
1101 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1394 |
1420 |
1.019 |
200 |
1102 |
|
|
2 |
A1g |
803 |
809 |
1.007 |
200 |
1103 |
|
|
3 |
A1g |
343 |
349 |
1.018 |
200 |
1104 |
|
|
4 |
A1u |
66 |
68 |
1.038 |
200 |
1105 |
|
|
5 |
A2u |
1111 |
1117 |
1.005 |
200 |
1106 |
|
|
6 |
A2u |
709 |
714 |
1.007 |
200 |
1107 |
|
|
7 |
Eg |
1215 |
1237 |
1.018 |
200 |
1108 |
|
|
8 |
Eg |
611 |
620 |
1.015 |
200 |
1109 |
|
|
9 |
Eg |
375 |
380 |
1.013 |
200 |
1110 |
|
|
10 |
Eu |
1230 |
1251 |
1.017 |
200 |
1111 |
|
|
11 |
Eu |
517 |
523 |
1.011 |
200 |
1112 |
|
|
12 |
Eu |
213 |
216 |
1.013 |
200 |
1113 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3055 |
2951 |
0.966 |
201 |
1114 |
|
|
2 |
A1 |
1418 |
1386 |
0.978 |
201 |
1115 |
|
|
3 |
A1 |
1067 |
1075 |
1.008 |
201 |
1116 |
|
|
4 |
A1 |
518 |
526 |
1.015 |
201 |
1117 |
|
|
5 |
A1 |
341 |
344 |
1.008 |
201 |
1118 |
|
|
6 |
A2 |
296 |
214 |
0.722 |
201 |
1119 |
|
|
7 |
E |
3136 |
3014 |
0.961 |
201 |
1120 |
|
|
8 |
E |
1481 |
1457 |
0.984 |
201 |
1121 |
|
|
9 |
E |
1101 |
1088 |
0.988 |
201 |
1122 |
|
|
10 |
E |
679 |
724 |
1.066 |
201 |
1123 |
|
|
11 |
E |
342 |
351 |
1.026 |
201 |
1124 |
|
|
12 |
E |
236 |
239 |
1.011 |
201 |
1125 |
C3H6 |
Cyclopropane |
1 |
A1' |
3135 |
3038 |
0.969 |
202 |
1126 |
|
|
2 |
A1' |
1521 |
1479 |
0.972 |
202 |
1127 |
|
|
3 |
A1' |
1213 |
1188 |
0.979 |
202 |
1128 |
|
|
4 |
A1" |
1155 |
1126 |
0.975 |
202 |
1129 |
|
|
5 |
A2' |
1097 |
1070 |
0.976 |
202 |
1130 |
|
|
6 |
A2" |
3221 |
3103 |
0.963 |
202 |
1131 |
|
|
7 |
A2" |
863 |
854 |
0.989 |
202 |
1132 |
|
|
8 |
E' |
3127 |
3025 |
0.967 |
202 |
1133 |
|
|
9 |
E' |
1478 |
1438 |
0.973 |
202 |
1134 |
|
|
10 |
E' |
1056 |
1029 |
0.974 |
202 |
1135 |
|
|
11 |
E' |
882 |
866 |
0.982 |
202 |
1136 |
|
|
12 |
E" |
3200 |
3082 |
0.963 |
202 |
1137 |
|
|
13 |
E" |
1215 |
1188 |
0.978 |
202 |
1138 |
|
|
14 |
E" |
744 |
739 |
0.993 |
202 |
1139 |
CH2CHCH3 |
Propene |
1 |
A' |
3211 |
3090 |
0.962 |
203 |
1140 |
|
|
2 |
A' |
3131 |
3013 |
0.962 |
203 |
1141 |
|
|
3 |
A' |
3124 |
2991 |
0.957 |
203 |
1142 |
|
|
4 |
A' |
3093 |
2954 |
0.955 |
203 |
1143 |
|
|
5 |
A' |
3016 |
2871 |
0.952 |
203 |
1144 |
|
|
6 |
A' |
1712 |
1650 |
0.964 |
203 |
1145 |
|
|
7 |
A' |
1495 |
1470 |
0.983 |
203 |
1146 |
|
|
8 |
A' |
1454 |
1420 |
0.977 |
203 |
1147 |
|
|
9 |
A' |
1410 |
1378 |
0.978 |
203 |
1148 |
|
|
10 |
A' |
1333 |
1297 |
0.973 |
203 |
1149 |
|
|
11 |
A' |
1193 |
1171 |
0.981 |
203 |
1150 |
|
|
12 |
A' |
951 |
963 |
1.012 |
203 |
1151 |
|
|
13 |
A' |
924 |
920 |
0.995 |
203 |
1152 |
|
|
14 |
A' |
428 |
428 |
1.000 |
203 |
1153 |
|
|
15 |
A" |
3057 |
2954 |
0.966 |
203 |
1154 |
|
|
16 |
A" |
1480 |
1443 |
0.975 |
203 |
1155 |
|
|
17 |
A" |
1075 |
1045 |
0.972 |
203 |
1156 |
|
|
18 |
A" |
1031 |
991 |
0.961 |
203 |
1157 |
|
|
19 |
A" |
949 |
912 |
0.961 |
203 |
1158 |
|
|
20 |
A" |
593 |
578 |
0.975 |
203 |
1159 |
|
|
21 |
A" |
207 |
174 |
0.840 |
203 |
1160 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3665 |
3523 |
0.961 |
204 |
1161 |
|
|
2 |
A' |
3269 |
3155 |
0.965 |
204 |
1162 |
|
|
3 |
A' |
3251 |
3137 |
0.965 |
204 |
1163 |
|
|
4 |
A' |
3237 |
3126 |
0.966 |
204 |
1164 |
|
|
5 |
A' |
1567 |
1531 |
0.977 |
204 |
1165 |
|
|
6 |
A' |
1478 |
1447 |
0.979 |
204 |
1166 |
|
|
7 |
A' |
1423 |
1395 |
0.980 |
204 |
1167 |
|
|
8 |
A' |
1385 |
1358 |
0.981 |
204 |
1168 |
|
|
9 |
A' |
1280 |
1254 |
0.979 |
204 |
1169 |
|
|
10 |
A' |
1178 |
1159 |
0.984 |
204 |
1170 |
|
|
11 |
A' |
1142 |
1121 |
0.982 |
204 |
1171 |
|
|
12 |
A' |
1057 |
1054 |
0.998 |
204 |
1172 |
|
|
13 |
A' |
1046 |
1009 |
0.965 |
204 |
1173 |
|
|
14 |
A' |
944 |
924 |
0.979 |
204 |
1174 |
|
|
15 |
A' |
926 |
908 |
0.981 |
204 |
1175 |
|
|
16 |
A" |
904 |
879 |
0.973 |
204 |
1176 |
|
|
17 |
A" |
851 |
833 |
0.979 |
204 |
1177 |
|
|
18 |
A" |
758 |
745 |
0.983 |
204 |
1178 |
|
|
19 |
A" |
695 |
674 |
0.970 |
204 |
1179 |
|
|
20 |
A" |
641 |
623 |
0.972 |
204 |
1180 |
|
|
21 |
A" |
531 |
516 |
0.971 |
204 |
1181 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3656 |
3517 |
0.962 |
205 |
1182 |
|
|
2 |
A' |
3272 |
3143 |
0.961 |
205 |
1183 |
|
|
3 |
A' |
3243 |
3123 |
0.963 |
205 |
1184 |
|
|
4 |
A' |
3240 |
3110 |
0.960 |
205 |
1185 |
|
|
5 |
A' |
1559 |
1448 |
0.929 |
205 |
1186 |
|
|
6 |
A' |
1502 |
1404 |
0.935 |
205 |
1187 |
|
|
7 |
A' |
1431 |
1328 |
0.928 |
205 |
1188 |
|
|
8 |
A' |
1366 |
1265 |
0.926 |
205 |
1189 |
|
|
9 |
A' |
1287 |
1188 |
0.923 |
205 |
1190 |
|
|
10 |
A' |
1162 |
1098 |
0.945 |
205 |
1191 |
|
|
11 |
A' |
1146 |
1062 |
0.927 |
205 |
1192 |
|
|
12 |
A' |
1095 |
1013 |
0.925 |
205 |
1193 |
|
|
13 |
A' |
1074 |
988 |
0.920 |
205 |
1194 |
|
|
14 |
A' |
947 |
923 |
0.975 |
205 |
1195 |
|
|
15 |
A' |
909 |
898 |
0.988 |
205 |
1196 |
|
|
16 |
A" |
880 |
831 |
0.944 |
205 |
1197 |
|
|
17 |
A" |
824 |
758 |
0.920 |
205 |
1198 |
|
|
18 |
A" |
738 |
674 |
0.914 |
205 |
1199 |
|
|
19 |
A" |
685 |
663 |
0.968 |
205 |
1200 |
|
|
20 |
A" |
649 |
621 |
0.957 |
205 |
1201 |
|
|
21 |
A" |
529 |
539 |
1.019 |
205 |
1202 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3166 |
3042 |
0.961 |
206 |
1203 |
|
|
2 |
A1' |
1161 |
1132 |
0.975 |
206 |
1204 |
|
|
3 |
A1' |
1011 |
992 |
0.981 |
206 |
1205 |
|
|
4 |
A2' |
1404 |
1278 |
0.910 |
206 |
1206 |
|
|
5 |
A2' |
1167 |
1068 |
0.915 |
206 |
1207 |
|
|
6 |
A2" |
956 |
925 |
0.967 |
206 |
1208 |
|
|
7 |
A2" |
761 |
737 |
0.969 |
206 |
1209 |
|
|
8 |
E' |
3161 |
3056 |
0.967 |
206 |
1210 |
|
|
9 |
E' |
1595 |
1555 |
0.975 |
206 |
1211 |
|
|
10 |
E' |
1444 |
1410 |
0.977 |
206 |
1212 |
|
|
11 |
E' |
1197 |
1176 |
0.982 |
206 |
1213 |
|
|
12 |
E' |
693 |
657 |
0.948 |
206 |
1214 |
|
|
13 |
E" |
1049 |
830 |
0.791 |
206 |
1215 |
|
|
14 |
E" |
352 |
340 |
0.965 |
206 |
1216 |
CH3CH2OH |
Ethanol |
1 |
A' |
3828 |
3653 |
0.954 |
207 |
1217 |
|
|
2 |
A' |
3100 |
2984 |
0.962 |
207 |
1218 |
|
|
3 |
A' |
3035 |
2939 |
0.968 |
207 |
1219 |
|
|
4 |
A' |
2975 |
2900 |
0.975 |
207 |
1220 |
|
|
5 |
A' |
1531 |
1490 |
0.974 |
207 |
1221 |
|
|
6 |
A' |
1502 |
1464 |
0.974 |
207 |
1222 |
|
|
7 |
A' |
1456 |
1412 |
0.970 |
207 |
1223 |
|
|
8 |
A' |
1408 |
1371 |
0.974 |
207 |
1224 |
|
|
9 |
A' |
1271 |
1256 |
0.988 |
207 |
1225 |
|
|
10 |
A' |
1103 |
1091 |
0.989 |
207 |
1226 |
|
|
11 |
A' |
1030 |
1028 |
0.997 |
207 |
1227 |
|
|
12 |
A' |
899 |
888 |
0.988 |
207 |
1228 |
|
|
13 |
A' |
418 |
417 |
0.996 |
207 |
1229 |
|
|
14 |
A" |
3104 |
2991 |
0.964 |
207 |
1230 |
|
|
15 |
A" |
2998 |
2910 |
0.970 |
207 |
1231 |
|
|
16 |
A" |
1484 |
1446 |
0.974 |
207 |
1232 |
|
|
17 |
A" |
1301 |
1275 |
0.980 |
207 |
1233 |
|
|
18 |
A" |
1181 |
1161 |
0.983 |
207 |
1234 |
|
|
19 |
A" |
824 |
812 |
0.986 |
207 |
1235 |
|
|
20 |
A" |
277 |
251 |
0.907 |
207 |
1236 |
|
|
21 |
A" |
237 |
200 |
0.842 |
207 |
1237 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3106 |
2996 |
0.965 |
208 |
1238 |
|
|
2 |
A1 |
2969 |
2817 |
0.949 |
208 |
1239 |
|
|
3 |
A1 |
1518 |
1464 |
0.965 |
208 |
1240 |
|
|
4 |
A1 |
1490 |
1452 |
0.975 |
208 |
1241 |
|
|
5 |
A1 |
1268 |
1244 |
0.981 |
208 |
1242 |
|
|
6 |
A1 |
940 |
928 |
0.987 |
208 |
1243 |
|
|
7 |
A1 |
410 |
418 |
1.020 |
208 |
1244 |
|
|
8 |
A2 |
3003 |
2952 |
0.983 |
208 |
1245 |
|
|
9 |
A2 |
1482 |
1464 |
0.988 |
208 |
1246 |
|
|
10 |
A2 |
1163 |
1150 |
0.989 |
208 |
1247 |
|
|
11 |
A2 |
208 |
203 |
0.974 |
208 |
1248 |
|
|
12 |
B1 |
2998 |
2925 |
0.976 |
208 |
1249 |
|
|
13 |
B1 |
1490 |
1464 |
0.983 |
208 |
1250 |
|
|
14 |
B1 |
1194 |
1179 |
0.987 |
208 |
1251 |
|
|
15 |
B1 |
239 |
242 |
1.013 |
208 |
1252 |
|
|
16 |
B2 |
3105 |
2996 |
0.965 |
208 |
1253 |
|
|
17 |
B2 |
2956 |
2817 |
0.953 |
208 |
1254 |
|
|
18 |
B2 |
1498 |
1464 |
0.977 |
208 |
1255 |
|
|
19 |
B2 |
1460 |
1452 |
0.995 |
208 |
1256 |
|
|
20 |
B2 |
1194 |
1227 |
1.027 |
208 |
1257 |
|
|
21 |
B2 |
1119 |
1102 |
0.985 |
208 |
1258 |
C4H4O |
Furan |
1 |
A1 |
3282 |
3161 |
0.963 |
209 |
1259 |
|
|
2 |
A1 |
3253 |
3140 |
0.965 |
209 |
1260 |
|
|
3 |
A1 |
1512 |
1491 |
0.986 |
209 |
1261 |
|
|
4 |
A1 |
1415 |
1384 |
0.978 |
209 |
1262 |
|
|
5 |
A1 |
1166 |
1140 |
0.977 |
209 |
1263 |
|
|
6 |
A1 |
1086 |
1066 |
0.981 |
209 |
1264 |
|
|
7 |
A1 |
1014 |
995 |
0.981 |
209 |
1265 |
|
|
8 |
A1 |
888 |
871 |
0.981 |
209 |
1266 |
|
|
9 |
A2 |
892 |
838 |
0.939 |
209 |
1267 |
|
|
10 |
A2 |
737 |
728 |
0.987 |
209 |
1268 |
|
|
11 |
A2 |
619 |
603 |
0.975 |
209 |
1269 |
|
|
12 |
B1 |
858 |
863 |
1.006 |
209 |
1270 |
|
|
13 |
B1 |
761 |
745 |
0.979 |
209 |
1271 |
|
|
14 |
B1 |
625 |
613 |
0.981 |
209 |
1272 |
|
|
15 |
B2 |
3276 |
3154 |
0.963 |
209 |
1273 |
|
|
16 |
B2 |
3243 |
3129 |
0.965 |
209 |
1274 |
|
|
17 |
B2 |
1595 |
1556 |
0.976 |
209 |
1275 |
|
|
18 |
B2 |
1294 |
1267 |
0.979 |
209 |
1276 |
|
|
19 |
B2 |
1199 |
1180 |
0.984 |
209 |
1277 |
|
|
20 |
B2 |
1061 |
1040 |
0.980 |
209 |
1278 |
|
|
21 |
B2 |
895 |
873 |
0.976 |
209 |
1279 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3089 |
3001 |
0.971 |
210 |
1280 |
|
|
2 |
A' |
3080 |
2935 |
0.953 |
210 |
1281 |
|
|
3 |
A' |
1919 |
1882 |
0.981 |
210 |
1282 |
|
|
4 |
A' |
1525 |
1475 |
0.967 |
210 |
1283 |
|
|
5 |
A' |
1459 |
1427 |
0.978 |
210 |
1284 |
|
|
6 |
A' |
1345 |
1319 |
0.981 |
210 |
1285 |
|
|
7 |
A' |
1226 |
1199 |
0.978 |
210 |
1286 |
|
|
8 |
A' |
1108 |
1093 |
0.987 |
210 |
1287 |
|
|
9 |
A' |
1012 |
1005 |
0.993 |
210 |
1288 |
|
|
10 |
A' |
936 |
924 |
0.987 |
210 |
1289 |
|
|
11 |
A' |
889 |
891 |
1.002 |
210 |
1290 |
|
|
12 |
A' |
753 |
746 |
0.990 |
210 |
1291 |
|
|
13 |
A' |
493 |
513 |
1.040 |
210 |
1292 |
|
|
14 |
A" |
3146 |
3028 |
0.962 |
210 |
1293 |
|
|
15 |
A" |
3130 |
3000 |
0.958 |
210 |
1294 |
|
|
16 |
A" |
1205 |
1184 |
0.983 |
210 |
1295 |
|
|
17 |
A" |
1157 |
1139 |
0.984 |
210 |
1296 |
|
|
18 |
A" |
1064 |
1046 |
0.983 |
210 |
1297 |
|
|
19 |
A" |
803 |
790 |
0.984 |
210 |
1298 |
|
|
20 |
A" |
521 |
490 |
0.940 |
210 |
1299 |
|
|
21 |
A" |
188 |
113 |
0.601 |
210 |
1300 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3095 |
2966 |
0.958 |
211 |
1301 |
|
|
2 |
A' |
3054 |
2872 |
0.940 |
211 |
1302 |
|
|
3 |
A' |
3033 |
2872 |
0.947 |
211 |
1303 |
|
|
4 |
A' |
2671 |
2580 |
0.966 |
211 |
1304 |
|
|
5 |
A' |
1506 |
1453 |
0.965 |
211 |
1305 |
|
|
6 |
A' |
1493 |
1453 |
0.973 |
211 |
1306 |
|
|
7 |
A' |
1418 |
1385 |
0.977 |
211 |
1307 |
|
|
8 |
A' |
1301 |
1309 |
1.006 |
211 |
1308 |
|
|
9 |
A' |
1111 |
1097 |
0.987 |
211 |
1309 |
|
|
10 |
A' |
991 |
978 |
0.987 |
211 |
1310 |
|
|
11 |
A' |
860 |
870 |
1.011 |
211 |
1311 |
|
|
12 |
A' |
663 |
660 |
0.996 |
211 |
1312 |
|
|
13 |
A' |
302 |
332 |
1.101 |
211 |
1313 |
|
|
14 |
A" |
3111 |
2966 |
0.953 |
211 |
1314 |
|
|
15 |
A" |
3086 |
2930 |
0.949 |
211 |
1315 |
|
|
16 |
A" |
1496 |
1453 |
0.972 |
211 |
1316 |
|
|
17 |
A" |
1271 |
1269 |
0.998 |
211 |
1317 |
|
|
18 |
A" |
1045 |
1049 |
1.004 |
211 |
1318 |
|
|
19 |
A" |
793 |
745 |
0.939 |
211 |
1319 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3120 |
2997 |
0.960 |
212 |
1320 |
|
|
2 |
A1 |
3026 |
2925 |
0.967 |
212 |
1321 |
|
|
3 |
A1 |
1488 |
1447 |
0.973 |
212 |
1322 |
|
|
4 |
A1 |
1367 |
1337 |
0.978 |
212 |
1323 |
|
|
5 |
A1 |
1052 |
1030 |
0.979 |
212 |
1324 |
|
|
6 |
A1 |
683 |
695 |
1.018 |
212 |
1325 |
|
|
7 |
A1 |
263 |
280 |
1.064 |
212 |
1326 |
|
|
8 |
A2 |
3100 |
2970 |
0.958 |
212 |
1327 |
|
|
9 |
A2 |
1465 |
1427 |
0.974 |
212 |
1328 |
|
|
10 |
A2 |
953 |
946 |
0.993 |
212 |
1329 |
|
|
11 |
A2 |
184 |
175 |
0.953 |
212 |
1330 |
|
|
12 |
B1 |
3093 |
2970 |
0.960 |
212 |
1331 |
|
|
13 |
B1 |
1473 |
1439 |
0.977 |
212 |
1332 |
|
|
14 |
B1 |
988 |
973 |
0.984 |
212 |
1333 |
|
|
15 |
B1 |
182 |
183 |
1.007 |
212 |
1334 |
|
|
16 |
B2 |
3121 |
2999 |
0.961 |
212 |
1335 |
|
|
17 |
B2 |
3029 |
2919 |
0.964 |
212 |
1336 |
|
|
18 |
B2 |
1481 |
1442 |
0.974 |
212 |
1337 |
|
|
19 |
B2 |
1344 |
1315 |
0.979 |
212 |
1338 |
|
|
20 |
B2 |
913 |
903 |
0.990 |
212 |
1339 |
|
|
21 |
B2 |
736 |
742 |
1.008 |
212 |
1340 |
C4H4S |
Thiophene |
1 |
A1 |
3248 |
3126 |
0.962 |
213 |
1341 |
|
|
2 |
A1 |
3211 |
3098 |
0.965 |
213 |
1342 |
|
|
3 |
A1 |
1442 |
1409 |
0.977 |
213 |
1343 |
|
|
4 |
A1 |
1396 |
1360 |
0.974 |
213 |
1344 |
|
|
5 |
A1 |
1105 |
1083 |
0.980 |
213 |
1345 |
|
|
6 |
A1 |
1056 |
1036 |
0.981 |
213 |
1346 |
|
|
7 |
A1 |
842 |
872 |
1.035 |
213 |
1347 |
|
|
8 |
A1 |
617 |
608 |
0.986 |
213 |
1348 |
|
|
9 |
A2 |
929 |
867 |
0.933 |
213 |
1349 |
|
|
10 |
A2 |
693 |
688 |
0.992 |
213 |
1350 |
|
|
11 |
A2 |
582 |
567 |
0.974 |
213 |
1351 |
|
|
12 |
B1 |
888 |
839 |
0.944 |
213 |
1352 |
|
|
13 |
B1 |
728 |
712 |
0.979 |
213 |
1353 |
|
|
14 |
B1 |
464 |
452 |
0.974 |
213 |
1354 |
|
|
15 |
B2 |
3246 |
3125 |
0.963 |
213 |
1355 |
|
|
16 |
B2 |
3197 |
3086 |
0.965 |
213 |
1356 |
|
|
17 |
B2 |
1552 |
1504 |
0.969 |
213 |
1357 |
|
|
18 |
B2 |
1284 |
1256 |
0.978 |
213 |
1358 |
|
|
19 |
B2 |
1106 |
1085 |
0.981 |
213 |
1359 |
|
|
20 |
B2 |
882 |
903 |
1.024 |
213 |
1360 |
|
|
21 |
B2 |
756 |
751 |
0.993 |
213 |
1361 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3222 |
3087 |
0.958 |
214 |
1362 |
|
|
2 |
Ag |
3138 |
3003 |
0.957 |
214 |
1363 |
|
|
3 |
Ag |
3124 |
2992 |
0.958 |
214 |
1364 |
|
|
4 |
Ag |
1705 |
1630 |
0.956 |
214 |
1365 |
|
|
5 |
Ag |
1480 |
1438 |
0.972 |
214 |
1366 |
|
|
6 |
Ag |
1318 |
1280 |
0.971 |
214 |
1367 |
|
|
7 |
Ag |
1231 |
1196 |
0.972 |
214 |
1368 |
|
|
8 |
Ag |
901 |
894 |
0.992 |
214 |
1369 |
|
|
9 |
Ag |
520 |
512 |
0.984 |
214 |
1370 |
|
|
10 |
Au |
1058 |
1013 |
0.957 |
214 |
1371 |
|
|
11 |
Au |
944 |
908 |
0.962 |
214 |
1372 |
|
|
12 |
Au |
541 |
522 |
0.964 |
214 |
1373 |
|
|
13 |
Au |
175 |
162 |
0.926 |
214 |
1374 |
|
|
14 |
Bg |
1005 |
976 |
0.971 |
214 |
1375 |
|
|
15 |
Bg |
944 |
912 |
0.966 |
214 |
1376 |
|
|
16 |
Bg |
785 |
770 |
0.981 |
214 |
1377 |
|
|
17 |
Bu |
3222 |
3101 |
0.962 |
214 |
1378 |
|
|
18 |
Bu |
3138 |
3055 |
0.974 |
214 |
1379 |
|
|
19 |
Bu |
3135 |
2984 |
0.952 |
214 |
1380 |
|
|
20 |
Bu |
1654 |
1596 |
0.965 |
214 |
1381 |
|
|
21 |
Bu |
1420 |
1381 |
0.973 |
214 |
1382 |
|
|
22 |
Bu |
1325 |
1294 |
0.976 |
214 |
1383 |
|
|
23 |
Bu |
1008 |
990 |
0.982 |
214 |
1384 |
|
|
24 |
Bu |
302 |
301 |
0.996 |
214 |
1385 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3022 |
2916 |
0.965 |
215 |
1386 |
|
|
2 |
A1' |
2364 |
2240 |
0.948 |
215 |
1387 |
|
|
3 |
A1' |
1421 |
1380 |
0.971 |
215 |
1388 |
|
|
4 |
A1' |
724 |
725 |
1.002 |
215 |
1389 |
|
|
6 |
A2" |
3022 |
2938 |
0.972 |
215 |
1390 |
|
|
7 |
A2" |
1418 |
1382 |
0.975 |
215 |
1391 |
|
|
8 |
A2" |
1167 |
1152 |
0.987 |
215 |
1392 |
|
|
9 |
E' |
3075 |
2973 |
0.967 |
215 |
1393 |
|
|
10 |
E' |
1481 |
1456 |
0.983 |
215 |
1394 |
|
|
11 |
E' |
1067 |
1054 |
0.988 |
215 |
1395 |
|
|
12 |
E' |
202 |
213 |
1.054 |
215 |
1396 |
|
|
13 |
E" |
3076 |
2966 |
0.964 |
215 |
1397 |
|
|
14 |
E" |
1482 |
1448 |
0.977 |
215 |
1398 |
|
|
15 |
E" |
1048 |
1029 |
0.982 |
215 |
1399 |
|
|
16 |
E" |
396 |
371 |
0.937 |
215 |
1400 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3122 |
3061 |
0.981 |
216 |
1401 |
|
|
2 |
A' |
3114 |
3010 |
0.966 |
216 |
1402 |
|
|
3 |
A' |
3106 |
2965 |
0.955 |
216 |
1403 |
|
|
4 |
A' |
3021 |
2905 |
0.962 |
216 |
1404 |
|
|
5 |
A' |
2052 |
1970 |
0.960 |
216 |
1405 |
|
|
6 |
A' |
1505 |
1453 |
0.965 |
216 |
1406 |
|
|
7 |
A' |
1475 |
1437 |
0.974 |
216 |
1407 |
|
|
8 |
A' |
1409 |
1389 |
0.986 |
216 |
1408 |
|
|
9 |
A' |
1364 |
1330 |
0.975 |
216 |
1409 |
|
|
10 |
A' |
1150 |
1132 |
0.984 |
216 |
1410 |
|
|
11 |
A' |
1092 |
1074 |
0.983 |
216 |
1411 |
|
|
12 |
A' |
881 |
876 |
0.994 |
216 |
1412 |
|
|
13 |
A' |
875 |
859 |
0.982 |
216 |
1413 |
|
|
14 |
A' |
574 |
555 |
0.967 |
216 |
1414 |
|
|
15 |
A' |
212 |
210 |
0.992 |
216 |
1415 |
|
|
16 |
A" |
3183 |
3061 |
0.962 |
216 |
1416 |
|
|
17 |
A" |
3065 |
2965 |
0.967 |
216 |
1417 |
|
|
18 |
A" |
1485 |
1453 |
0.979 |
216 |
1418 |
|
|
19 |
A" |
1063 |
1110 |
1.044 |
216 |
1419 |
|
|
20 |
A" |
1025 |
1011 |
0.986 |
216 |
1420 |
|
|
21 |
A" |
899 |
842 |
0.937 |
216 |
1421 |
|
|
22 |
A" |
542 |
523 |
0.965 |
216 |
1422 |
|
|
23 |
A" |
341 |
322 |
0.944 |
216 |
1423 |
C4H6 |
Cyclobutene |
1 |
A1 |
3197 |
3060 |
0.957 |
217 |
1424 |
|
|
2 |
A1 |
3038 |
2935 |
0.966 |
217 |
1425 |
|
|
3 |
A1 |
1636 |
1570 |
0.960 |
217 |
1426 |
|
|
4 |
A1 |
1488 |
1450 |
0.975 |
217 |
1427 |
|
|
5 |
A1 |
1216 |
1276 |
1.049 |
217 |
1428 |
|
|
6 |
A1 |
1133 |
1186 |
1.047 |
217 |
1429 |
|
|
7 |
A1 |
998 |
1113 |
1.115 |
217 |
1430 |
|
|
8 |
A1 |
884 |
886 |
1.002 |
217 |
1431 |
|
|
9 |
A2 |
3066 |
2955 |
0.964 |
217 |
1432 |
|
|
10 |
A2 |
1172 |
1276 |
1.089 |
217 |
1433 |
|
|
11 |
A2 |
1043 |
1081 |
1.036 |
217 |
1434 |
|
|
12 |
A2 |
944 |
850 |
0.900 |
217 |
1435 |
|
|
13 |
A2 |
326 |
325 |
0.998 |
217 |
1436 |
|
|
14 |
B1 |
3080 |
2955 |
0.959 |
217 |
1437 |
|
|
15 |
B1 |
1100 |
1074 |
0.976 |
217 |
1438 |
|
|
16 |
B1 |
870 |
846 |
0.973 |
217 |
1439 |
|
|
17 |
B1 |
652 |
635 |
0.974 |
217 |
1440 |
|
|
18 |
B2 |
3166 |
3047 |
0.963 |
217 |
1441 |
|
|
19 |
B2 |
3032 |
2916 |
0.962 |
217 |
1442 |
|
|
20 |
B2 |
1469 |
1427 |
0.971 |
217 |
1443 |
|
|
21 |
B2 |
1323 |
1294 |
0.978 |
217 |
1444 |
|
|
22 |
B2 |
1243 |
1214 |
0.976 |
217 |
1445 |
|
|
23 |
B2 |
896 |
888 |
0.991 |
217 |
1446 |
|
|
24 |
B2 |
866 |
740 |
0.854 |
217 |
1447 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3123 |
3010 |
0.964 |
218 |
1448 |
|
|
2 |
A1 |
3105 |
3002 |
0.967 |
218 |
1449 |
|
|
3 |
A1 |
1831 |
1743 |
0.952 |
218 |
1450 |
|
|
4 |
A1 |
1487 |
1437 |
0.966 |
218 |
1451 |
|
|
5 |
A1 |
1448 |
1410 |
0.974 |
218 |
1452 |
|
|
6 |
A1 |
1061 |
1036 |
0.976 |
218 |
1453 |
|
|
7 |
A1 |
1037 |
1002 |
0.966 |
218 |
1454 |
|
|
8 |
A1 |
740 |
723 |
0.977 |
218 |
1455 |
|
|
9 |
A2 |
3172 |
3051 |
0.962 |
218 |
1456 |
|
|
10 |
A2 |
1168 |
1144 |
0.979 |
218 |
1457 |
|
|
11 |
A2 |
961 |
937 |
0.975 |
218 |
1458 |
|
|
12 |
A2 |
621 |
616 |
0.992 |
218 |
1459 |
|
|
13 |
B1 |
3185 |
3071 |
0.964 |
218 |
1460 |
|
|
14 |
B1 |
1099 |
1072 |
0.976 |
218 |
1461 |
|
|
15 |
B1 |
926 |
889 |
0.960 |
218 |
1462 |
|
|
16 |
B1 |
755 |
748 |
0.991 |
218 |
1463 |
|
|
17 |
B1 |
294 |
360 |
1.223 |
218 |
1464 |
|
|
18 |
B2 |
3201 |
3086 |
0.964 |
218 |
1465 |
|
|
19 |
B2 |
3104 |
2999 |
0.966 |
218 |
1466 |
|
|
20 |
B2 |
1453 |
1353 |
0.931 |
218 |
1467 |
|
|
21 |
B2 |
1146 |
1174 |
1.025 |
218 |
1468 |
|
|
22 |
B2 |
1077 |
1125 |
1.044 |
218 |
1469 |
|
|
23 |
B2 |
902 |
792 |
0.878 |
218 |
1470 |
|
|
24 |
B2 |
359 |
290 |
0.808 |
218 |
1471 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3476 |
3345 |
0.962 |
219 |
1472 |
|
|
2 |
A' |
3075 |
2985 |
0.971 |
219 |
1473 |
|
|
3 |
A' |
3024 |
2840 |
0.939 |
219 |
1474 |
|
|
4 |
A' |
3012 |
2860 |
0.949 |
219 |
1475 |
|
|
5 |
A' |
1662 |
1622 |
0.976 |
219 |
1476 |
|
|
6 |
A' |
1507 |
1487 |
0.987 |
219 |
1477 |
|
|
7 |
A' |
1488 |
1465 |
0.985 |
219 |
1478 |
|
|
8 |
A' |
1409 |
1378 |
0.978 |
219 |
1479 |
|
|
9 |
A' |
1383 |
1397 |
1.010 |
219 |
1480 |
|
|
10 |
A' |
1146 |
1016 |
0.887 |
219 |
1481 |
|
|
11 |
A' |
1055 |
1086 |
1.029 |
219 |
1482 |
|
|
12 |
A' |
894 |
892 |
0.998 |
219 |
1483 |
|
|
13 |
A' |
847 |
773 |
0.912 |
219 |
1484 |
|
|
14 |
A' |
401 |
403 |
1.005 |
219 |
1485 |
|
|
15 |
A" |
3552 |
3412 |
0.961 |
219 |
1486 |
|
|
16 |
A" |
3081 |
2924 |
0.949 |
219 |
1487 |
|
|
17 |
A" |
3047 |
2906 |
0.954 |
219 |
1488 |
|
|
18 |
A" |
1494 |
1455 |
0.974 |
219 |
1489 |
|
|
19 |
A" |
1390 |
1238 |
0.891 |
219 |
1490 |
|
|
20 |
A" |
1273 |
1293 |
1.016 |
219 |
1491 |
|
|
21 |
A" |
1008 |
1117 |
1.108 |
219 |
1492 |
|
|
22 |
A" |
781 |
816 |
1.045 |
219 |
1493 |
|
|
23 |
A" |
283 |
259 |
0.916 |
219 |
1494 |
|
|
24 |
A" |
247 |
218 |
0.882 |
219 |
1495 |
C4H5N |
Pyrrole |
1 |
A1 |
3675 |
3531 |
0.961 |
220 |
1496 |
|
|
2 |
A1 |
3264 |
3149 |
0.965 |
220 |
1497 |
|
|
3 |
A1 |
3243 |
3128 |
0.964 |
220 |
1498 |
|
|
4 |
A1 |
1503 |
1472 |
0.980 |
220 |
1499 |
|
|
5 |
A1 |
1418 |
1401 |
0.988 |
220 |
1500 |
|
|
6 |
A1 |
1175 |
1148 |
0.977 |
220 |
1501 |
|
|
7 |
A1 |
1093 |
1075 |
0.984 |
220 |
1502 |
|
|
8 |
A1 |
1035 |
1017 |
0.983 |
220 |
1503 |
|
|
9 |
A1 |
903 |
882 |
0.976 |
220 |
1504 |
|
|
10 |
A2 |
885 |
864 |
0.976 |
220 |
1505 |
|
|
11 |
A2 |
696 |
692 |
0.995 |
220 |
1506 |
|
|
12 |
A2 |
632 |
614 |
0.971 |
220 |
1507 |
|
|
13 |
B1 |
839 |
827 |
0.985 |
220 |
1508 |
|
|
14 |
B1 |
734 |
722 |
0.984 |
220 |
1509 |
|
|
15 |
B1 |
644 |
621 |
0.964 |
220 |
1510 |
|
|
16 |
B1 |
484 |
475 |
0.981 |
220 |
1511 |
|
|
17 |
B2 |
3259 |
3143 |
0.965 |
220 |
1512 |
|
|
18 |
B2 |
3232 |
3119 |
0.965 |
220 |
1513 |
|
|
19 |
B2 |
1577 |
1519 |
0.963 |
220 |
1514 |
|
|
20 |
B2 |
1451 |
1424 |
0.982 |
220 |
1515 |
|
|
21 |
B2 |
1318 |
1288 |
0.977 |
220 |
1516 |
|
|
22 |
B2 |
1159 |
1134 |
0.979 |
220 |
1517 |
|
|
23 |
B2 |
1069 |
1049 |
0.981 |
220 |
1518 |
|
|
24 |
B2 |
882 |
866 |
0.982 |
220 |
1519 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3237 |
3120 |
0.964 |
221 |
1520 |
|
|
2 |
A' |
3168 |
3052 |
0.963 |
221 |
1521 |
|
|
3 |
A' |
3145 |
3044 |
0.968 |
221 |
1522 |
|
|
4 |
A' |
2348 |
2264 |
0.964 |
221 |
1523 |
|
|
5 |
A' |
1507 |
1468 |
0.974 |
221 |
1524 |
|
|
6 |
A' |
1385 |
1344 |
0.970 |
221 |
1525 |
|
|
7 |
A' |
1215 |
1195 |
0.983 |
221 |
1526 |
|
|
8 |
A' |
1141 |
1125 |
0.986 |
221 |
1527 |
|
|
9 |
A' |
1070 |
1049 |
0.981 |
221 |
1528 |
|
|
10 |
A' |
958 |
941 |
0.982 |
221 |
1529 |
|
|
11 |
A' |
817 |
808 |
0.989 |
221 |
1530 |
|
|
12 |
A' |
755 |
736 |
0.974 |
221 |
1531 |
|
|
13 |
A' |
534 |
527 |
0.987 |
221 |
1532 |
|
|
14 |
A' |
214 |
222 |
1.037 |
221 |
1533 |
|
|
15 |
A" |
3223 |
3094 |
0.960 |
221 |
1534 |
|
|
16 |
A" |
3143 |
3040 |
0.967 |
221 |
1535 |
|
|
17 |
A" |
1477 |
1442 |
0.976 |
221 |
1536 |
|
|
18 |
A" |
1206 |
1180 |
0.978 |
221 |
1537 |
|
|
19 |
A" |
1120 |
1070 |
0.955 |
221 |
1538 |
|
|
20 |
A" |
1093 |
1088 |
0.995 |
221 |
1539 |
|
|
21 |
A" |
901 |
880 |
0.977 |
221 |
1540 |
|
|
22 |
A" |
828 |
821 |
0.991 |
221 |
1541 |
|
|
23 |
A" |
555 |
543 |
0.978 |
221 |
1542 |
|
|
24 |
A" |
217 |
222 |
1.024 |
221 |
1543 |
C4H4N2 |
Succinonitrile |
1 |
Ag |
3054 |
2947 |
0.965 |
222 |
1544 |
|
|
2 |
Ag |
2362 |
2254 |
0.954 |
222 |
1545 |
|
|
3 |
Ag |
1474 |
1422 |
0.965 |
222 |
1546 |
|
|
4 |
Ag |
1383 |
1328 |
0.960 |
222 |
1547 |
|
|
5 |
Ag |
1017 |
1023 |
1.006 |
222 |
1548 |
|
|
6 |
Ag |
969 |
809 |
0.835 |
222 |
1549 |
|
|
7 |
Ag |
516 |
508 |
0.985 |
222 |
1550 |
|
|
8 |
Ag |
224 |
187 |
0.835 |
222 |
1551 |
|
|
9 |
Au |
3105 |
2985 |
0.961 |
222 |
1552 |
|
|
10 |
Au |
1215 |
1197 |
0.985 |
222 |
1553 |
|
|
11 |
Au |
773 |
760 |
0.983 |
222 |
1554 |
|
|
12 |
Au |
400 |
357 |
0.892 |
222 |
1555 |
|
|
13 |
Au |
78 |
|
|
222 |
1556 |
|
|
14 |
Bg |
3086 |
2982 |
0.966 |
222 |
1557 |
|
|
15 |
Bg |
1318 |
1226 |
0.930 |
222 |
1558 |
|
|
16 |
Bg |
1040 |
951 |
0.914 |
222 |
1559 |
|
|
17 |
Bg |
363 |
387 |
1.066 |
222 |
1560 |
|
|
18 |
Bu |
3064 |
2965 |
0.968 |
222 |
1561 |
|
|
19 |
Bu |
2364 |
2255 |
0.954 |
222 |
1562 |
|
|
20 |
Bu |
1483 |
1425 |
0.961 |
222 |
1563 |
|
|
21 |
Bu |
1299 |
1270 |
0.977 |
222 |
1564 |
|
|
22 |
Bu |
932 |
917 |
0.984 |
222 |
1565 |
|
|
23 |
Bu |
531 |
526 |
0.990 |
222 |
1566 |
|
|
24 |
Bu |
132 |
|
|
222 |
1567 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3198 |
3063 |
0.958 |
223 |
1568 |
|
|
2 |
A1 |
3170 |
3043 |
0.960 |
223 |
1569 |
|
|
3 |
A1 |
1612 |
1572 |
0.975 |
223 |
1570 |
|
|
4 |
A1 |
1481 |
1414 |
0.954 |
223 |
1571 |
|
|
5 |
A1 |
1182 |
1283 |
1.086 |
223 |
1572 |
|
|
6 |
A1 |
1174 |
1160 |
0.988 |
223 |
1573 |
|
|
7 |
A1 |
1092 |
1063 |
0.974 |
223 |
1574 |
|
|
8 |
A1 |
1010 |
964 |
0.954 |
223 |
1575 |
|
|
9 |
A1 |
682 |
619 |
0.907 |
223 |
1576 |
|
|
10 |
A2 |
1031 |
936 |
0.908 |
223 |
1577 |
|
|
11 |
A2 |
951 |
863 |
0.908 |
223 |
1578 |
|
|
12 |
A2 |
784 |
751 |
0.958 |
223 |
1579 |
|
|
13 |
A2 |
380 |
421 |
1.108 |
223 |
1580 |
|
|
14 |
B1 |
992 |
|
|
223 |
1581 |
|
|
15 |
B1 |
767 |
760 |
0.991 |
223 |
1582 |
|
|
16 |
B1 |
378 |
370 |
0.979 |
223 |
1583 |
|
|
17 |
B2 |
3184 |
3075 |
0.966 |
223 |
1584 |
|
|
18 |
B2 |
3166 |
3043 |
0.961 |
223 |
1585 |
|
|
19 |
B2 |
1606 |
1565 |
0.974 |
223 |
1586 |
|
|
20 |
B2 |
1447 |
1444 |
0.998 |
223 |
1587 |
|
|
21 |
B2 |
1316 |
1239 |
0.942 |
223 |
1588 |
|
|
22 |
B2 |
1088 |
1052 |
0.967 |
223 |
1589 |
|
|
23 |
B2 |
1063 |
1009 |
0.950 |
223 |
1590 |
|
|
24 |
B2 |
636 |
664 |
1.044 |
223 |
1591 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3198 |
3082 |
0.964 |
224 |
1592 |
|
|
2 |
A1 |
3162 |
3053 |
0.966 |
224 |
1593 |
|
|
3 |
A1 |
3148 |
3049 |
0.969 |
224 |
1594 |
|
|
4 |
A1 |
1611 |
1572 |
0.976 |
224 |
1595 |
|
|
5 |
A1 |
1439 |
1465 |
1.018 |
224 |
1596 |
|
|
6 |
A1 |
1164 |
1155 |
0.992 |
224 |
1597 |
|
|
7 |
A1 |
1084 |
1065 |
0.982 |
224 |
1598 |
|
|
8 |
A1 |
1011 |
969 |
0.958 |
224 |
1599 |
|
|
9 |
A1 |
697 |
679 |
0.975 |
224 |
1600 |
|
|
10 |
A2 |
1008 |
960 |
0.952 |
224 |
1601 |
|
|
11 |
A2 |
411 |
398 |
0.969 |
224 |
1602 |
|
|
12 |
B1 |
1035 |
1033 |
0.998 |
224 |
1603 |
|
|
13 |
B1 |
992 |
980 |
0.988 |
224 |
1604 |
|
|
14 |
B1 |
830 |
804 |
0.968 |
224 |
1605 |
|
|
15 |
B1 |
742 |
719 |
0.969 |
224 |
1606 |
|
|
16 |
B1 |
354 |
347 |
0.980 |
224 |
1607 |
|
|
17 |
B2 |
3151 |
3047 |
0.967 |
224 |
1608 |
|
|
18 |
B2 |
1610 |
1569 |
0.975 |
224 |
1609 |
|
|
19 |
B2 |
1499 |
1411 |
0.941 |
224 |
1610 |
|
|
20 |
B2 |
1398 |
1356 |
0.970 |
224 |
1611 |
|
|
21 |
B2 |
1255 |
1224 |
0.975 |
224 |
1612 |
|
|
22 |
B2 |
1214 |
1158 |
0.954 |
224 |
1613 |
|
|
23 |
B2 |
1097 |
1071 |
0.977 |
224 |
1614 |
|
|
24 |
B2 |
636 |
621 |
0.977 |
224 |
1615 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3169 |
3055 |
0.964 |
225 |
1616 |
|
|
2 |
Ag |
1617 |
1580 |
0.977 |
225 |
1617 |
|
|
3 |
Ag |
1255 |
1233 |
0.983 |
225 |
1618 |
|
|
4 |
Ag |
1042 |
1016 |
0.975 |
225 |
1619 |
|
|
5 |
Ag |
612 |
602 |
0.983 |
225 |
1620 |
|
|
6 |
Au |
1012 |
960 |
0.949 |
225 |
1621 |
|
|
7 |
Au |
352 |
350 |
0.995 |
225 |
1622 |
|
|
8 |
B1g |
950 |
927 |
0.976 |
225 |
1623 |
|
|
9 |
B1u |
3148 |
3012 |
0.957 |
225 |
1624 |
|
|
10 |
B1u |
1519 |
1483 |
0.976 |
225 |
1625 |
|
|
11 |
B1u |
1167 |
1130 |
0.968 |
225 |
1626 |
|
|
12 |
B1u |
1037 |
1018 |
0.982 |
225 |
1627 |
|
|
13 |
B2g |
999 |
983 |
0.984 |
225 |
1628 |
|
|
14 |
B2g |
784 |
756 |
0.964 |
225 |
1629 |
|
|
15 |
B2u |
3163 |
3069 |
0.970 |
225 |
1630 |
|
|
16 |
B2u |
1446 |
1411 |
0.976 |
225 |
1631 |
|
|
17 |
B2u |
1217 |
1149 |
0.944 |
225 |
1632 |
|
|
18 |
B2u |
1092 |
1063 |
0.974 |
225 |
1633 |
|
|
19 |
B3g |
3147 |
3040 |
0.966 |
225 |
1634 |
|
|
20 |
B3g |
1580 |
1525 |
0.965 |
225 |
1635 |
|
|
21 |
B3g |
1379 |
1346 |
0.976 |
225 |
1636 |
|
|
22 |
B3g |
721 |
704 |
0.976 |
225 |
1637 |
|
|
23 |
B3u |
809 |
785 |
0.971 |
225 |
1638 |
|
|
24 |
B3u |
437 |
418 |
0.957 |
225 |
1639 |
CH3COCH3 |
Acetone |
1 |
A1 |
3140 |
3019 |
0.961 |
226 |
1640 |
|
|
2 |
A1 |
3033 |
2937 |
0.968 |
226 |
1641 |
|
|
3 |
A1 |
1794 |
1731 |
0.965 |
226 |
1642 |
|
|
4 |
A1 |
1470 |
1435 |
0.976 |
226 |
1643 |
|
|
5 |
A1 |
1387 |
1364 |
0.984 |
226 |
1644 |
|
|
6 |
A1 |
1084 |
1066 |
0.983 |
226 |
1645 |
|
|
7 |
A1 |
782 |
777 |
0.994 |
226 |
1646 |
|
|
8 |
A1 |
378 |
385 |
1.018 |
226 |
1647 |
|
|
9 |
A2 |
3078 |
2963 |
0.963 |
226 |
1648 |
|
|
10 |
A2 |
1466 |
1426 |
0.973 |
226 |
1649 |
|
|
11 |
A2 |
886 |
877 |
0.990 |
226 |
1650 |
|
|
12 |
A2 |
23 |
77 |
3.357 |
226 |
1651 |
|
|
13 |
B1 |
3086 |
2972 |
0.963 |
226 |
1652 |
|
|
14 |
B1 |
1488 |
1454 |
0.977 |
226 |
1653 |
|
|
15 |
B1 |
1121 |
1091 |
0.974 |
226 |
1654 |
|
|
16 |
B1 |
490 |
484 |
0.988 |
226 |
1655 |
|
|
17 |
B1 |
134 |
125 |
0.936 |
226 |
1656 |
|
|
18 |
B2 |
3139 |
3019 |
0.962 |
226 |
1657 |
|
|
19 |
B2 |
3026 |
2937 |
0.971 |
226 |
1658 |
|
|
20 |
B2 |
1460 |
1410 |
0.965 |
226 |
1659 |
|
|
21 |
B2 |
1387 |
1364 |
0.983 |
226 |
1660 |
|
|
22 |
B2 |
1234 |
1216 |
0.986 |
226 |
1661 |
|
|
23 |
B2 |
885 |
891 |
1.007 |
226 |
1662 |
|
|
24 |
B2 |
535 |
530 |
0.991 |
226 |
1663 |
CH3CH2CHO |
Propanal |
1 |
A' |
3109 |
2981 |
0.959 |
227 |
1664 |
|
|
2 |
A' |
3045 |
2904 |
0.954 |
227 |
1665 |
|
|
3 |
A' |
3003 |
2895 |
0.964 |
227 |
1666 |
|
|
4 |
A' |
2862 |
2809 |
0.981 |
227 |
1667 |
|
|
5 |
A' |
1810 |
1743 |
0.963 |
227 |
1668 |
|
|
6 |
A' |
1502 |
1460 |
0.972 |
227 |
1669 |
|
|
7 |
A' |
1451 |
1416 |
0.976 |
227 |
1670 |
|
|
8 |
A' |
1426 |
1390 |
0.975 |
227 |
1671 |
|
|
9 |
A' |
1412 |
1376 |
0.974 |
227 |
1672 |
|
|
10 |
A' |
1366 |
1335 |
0.977 |
227 |
1673 |
|
|
11 |
A' |
1110 |
1093 |
0.985 |
227 |
1674 |
|
|
12 |
A' |
1004 |
993 |
0.989 |
227 |
1675 |
|
|
13 |
A' |
848 |
848 |
1.000 |
227 |
1676 |
|
|
14 |
A' |
673 |
668 |
0.993 |
227 |
1677 |
|
|
15 |
A' |
254 |
271 |
1.065 |
227 |
1678 |
|
|
16 |
A" |
3111 |
2992 |
0.962 |
227 |
1679 |
|
|
17 |
A" |
3020 |
2942 |
0.974 |
227 |
1680 |
|
|
18 |
A" |
1494 |
1451 |
0.971 |
227 |
1681 |
|
|
19 |
A" |
1282 |
1250 |
0.975 |
227 |
1682 |
|
|
20 |
A" |
1149 |
1118 |
0.973 |
227 |
1683 |
|
|
21 |
A" |
906 |
892 |
0.985 |
227 |
1684 |
|
|
22 |
A" |
670 |
660 |
0.984 |
227 |
1685 |
|
|
23 |
A" |
225 |
220 |
0.977 |
227 |
1686 |
|
|
24 |
A" |
130 |
135 |
1.036 |
227 |
1687 |
C3H6S |
Thietane |
1 |
A' |
3123 |
2994 |
0.959 |
228 |
1688 |
|
|
2 |
A' |
3090 |
2972 |
0.962 |
228 |
1689 |
|
|
3 |
A' |
3064 |
2946 |
0.962 |
228 |
1690 |
|
|
4 |
A' |
3047 |
2903 |
0.953 |
228 |
1691 |
|
|
5 |
A' |
1511 |
1470 |
0.973 |
228 |
1692 |
|
|
6 |
A' |
1488 |
1452 |
0.976 |
228 |
1693 |
|
|
7 |
A' |
1249 |
1224 |
0.980 |
228 |
1694 |
|
|
8 |
A' |
1204 |
1183 |
0.983 |
228 |
1695 |
|
|
9 |
A' |
983 |
975 |
0.992 |
228 |
1696 |
|
|
10 |
A' |
941 |
933 |
0.992 |
228 |
1697 |
|
|
11 |
A' |
847 |
845 |
0.998 |
228 |
1698 |
|
|
12 |
A' |
704 |
700 |
0.995 |
228 |
1699 |
|
|
13 |
A' |
530 |
529 |
0.999 |
228 |
1700 |
|
|
14 |
A' |
137 |
|
|
228 |
1701 |
|
|
15 |
A" |
3118 |
2994 |
0.960 |
228 |
1702 |
|
|
16 |
A" |
3063 |
2950 |
0.963 |
228 |
1703 |
|
|
17 |
A" |
1487 |
1454 |
0.978 |
228 |
1704 |
|
|
18 |
A" |
1311 |
1281 |
0.977 |
228 |
1705 |
|
|
19 |
A" |
1259 |
1229 |
0.977 |
228 |
1706 |
|
|
20 |
A" |
1193 |
1165 |
0.976 |
228 |
1707 |
|
|
21 |
A" |
1033 |
1011 |
0.979 |
228 |
1708 |
|
|
22 |
A" |
982 |
986 |
1.004 |
228 |
1709 |
|
|
23 |
A" |
826 |
823 |
0.997 |
228 |
1710 |
|
|
24 |
A" |
673 |
677 |
1.006 |
228 |
1711 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3136 |
2990 |
0.954 |
229 |
1712 |
|
|
2 |
A |
3118 |
2983 |
0.957 |
229 |
1713 |
|
|
3 |
A |
3039 |
2913 |
0.958 |
229 |
1714 |
|
|
4 |
A |
1478 |
1426 |
0.965 |
229 |
1715 |
|
|
5 |
A |
1464 |
1419 |
0.969 |
229 |
1716 |
|
|
6 |
A |
1346 |
1311 |
0.974 |
229 |
1717 |
|
|
7 |
A |
972 |
955 |
0.983 |
229 |
1718 |
|
|
8 |
A |
965 |
949 |
0.983 |
229 |
1719 |
|
|
9 |
A |
679 |
694 |
1.022 |
229 |
1720 |
|
|
10 |
A |
497 |
509 |
1.025 |
229 |
1721 |
|
|
11 |
A |
232 |
240 |
1.036 |
229 |
1722 |
|
|
12 |
A |
159 |
134 |
0.844 |
229 |
1723 |
|
|
13 |
A |
108 |
117 |
1.082 |
229 |
1724 |
|
|
14 |
B |
3135 |
2990 |
0.954 |
229 |
1725 |
|
|
15 |
B |
3118 |
2983 |
0.957 |
229 |
1726 |
|
|
16 |
B |
3038 |
2915 |
0.960 |
229 |
1727 |
|
|
17 |
B |
1481 |
1430 |
0.966 |
229 |
1728 |
|
|
18 |
B |
1459 |
1415 |
0.970 |
229 |
1729 |
|
|
19 |
B |
1339 |
1303 |
0.973 |
229 |
1730 |
|
|
20 |
B |
971 |
955 |
0.984 |
229 |
1731 |
|
|
21 |
B |
960 |
949 |
0.988 |
229 |
1732 |
|
|
22 |
B |
677 |
691 |
1.021 |
229 |
1733 |
|
|
23 |
B |
261 |
274 |
1.050 |
229 |
1734 |
|
|
24 |
B |
158 |
134 |
0.850 |
229 |
1735 |
C3H8 |
Propane |
1 |
A1 |
3085 |
2977 |
0.965 |
230 |
1736 |
|
|
2 |
A1 |
3022 |
2962 |
0.980 |
230 |
1737 |
|
|
3 |
A1 |
3016 |
2887 |
0.957 |
230 |
1738 |
|
|
4 |
A1 |
1516 |
1476 |
0.974 |
230 |
1739 |
|
|
5 |
A1 |
1494 |
1462 |
0.979 |
230 |
1740 |
|
|
6 |
A1 |
1424 |
1392 |
0.978 |
230 |
1741 |
|
|
7 |
A1 |
1178 |
1158 |
0.983 |
230 |
1742 |
|
|
8 |
A1 |
870 |
869 |
0.999 |
230 |
1743 |
|
|
9 |
A1 |
366 |
369 |
1.009 |
230 |
1744 |
|
|
10 |
A2 |
3072 |
2967 |
0.966 |
230 |
1745 |
|
|
11 |
A2 |
1491 |
1451 |
0.973 |
230 |
1746 |
|
|
12 |
A2 |
1320 |
1278 |
0.968 |
230 |
1747 |
|
|
13 |
A2 |
914 |
940 |
1.028 |
230 |
1748 |
|
|
14 |
A2 |
216 |
216 |
0.999 |
230 |
1749 |
|
|
15 |
B1 |
3084 |
2973 |
0.964 |
230 |
1750 |
|
|
16 |
B1 |
3035 |
2968 |
0.978 |
230 |
1751 |
|
|
17 |
B1 |
1508 |
1472 |
0.976 |
230 |
1752 |
|
|
18 |
B1 |
1217 |
1192 |
0.980 |
230 |
1753 |
|
|
19 |
B1 |
754 |
748 |
0.992 |
230 |
1754 |
|
|
20 |
B1 |
265 |
268 |
1.011 |
230 |
1755 |
|
|
21 |
B2 |
3082 |
2968 |
0.963 |
230 |
1756 |
|
|
22 |
B2 |
3018 |
2887 |
0.957 |
230 |
1757 |
|
|
23 |
B2 |
1499 |
1464 |
0.977 |
230 |
1758 |
|
|
24 |
B2 |
1406 |
1378 |
0.980 |
230 |
1759 |
|
|
25 |
B2 |
1372 |
1338 |
0.975 |
230 |
1760 |
|
|
26 |
B2 |
1056 |
1054 |
0.998 |
230 |
1761 |
|
|
27 |
B2 |
933 |
922 |
0.988 |
230 |
1762 |
C5H5N |
Pyridine |
1 |
A1 |
3194 |
3094 |
0.969 |
231 |
1763 |
|
|
2 |
A1 |
3170 |
3073 |
0.969 |
231 |
1764 |
|
|
3 |
A1 |
3146 |
3030 |
0.963 |
231 |
1765 |
|
|
4 |
A1 |
1627 |
1584 |
0.974 |
231 |
1766 |
|
|
5 |
A1 |
1518 |
1483 |
0.977 |
231 |
1767 |
|
|
6 |
A1 |
1244 |
1218 |
0.979 |
231 |
1768 |
|
|
7 |
A1 |
1097 |
1072 |
0.977 |
231 |
1769 |
|
|
8 |
A1 |
1051 |
1032 |
0.981 |
231 |
1770 |
|
|
9 |
A1 |
1013 |
991 |
0.979 |
231 |
1771 |
|
|
10 |
A1 |
617 |
601 |
0.974 |
231 |
1772 |
|
|
11 |
A2 |
1012 |
980 |
0.969 |
231 |
1773 |
|
|
12 |
A2 |
900 |
880 |
0.977 |
231 |
1774 |
|
|
13 |
A2 |
386 |
373 |
0.967 |
231 |
1775 |
|
|
14 |
B1 |
1024 |
1007 |
0.983 |
231 |
1776 |
|
|
15 |
B1 |
965 |
937 |
0.971 |
231 |
1777 |
|
|
16 |
B1 |
769 |
744 |
0.967 |
231 |
1778 |
|
|
17 |
B1 |
722 |
700 |
0.970 |
231 |
1779 |
|
|
18 |
B1 |
421 |
403 |
0.957 |
231 |
1780 |
|
|
19 |
B2 |
3186 |
3087 |
0.969 |
231 |
1781 |
|
|
20 |
B2 |
3143 |
3042 |
0.968 |
231 |
1782 |
|
|
21 |
B2 |
1622 |
1581 |
0.975 |
231 |
1783 |
|
|
22 |
B2 |
1477 |
1442 |
0.976 |
231 |
1784 |
|
|
23 |
B2 |
1391 |
1362 |
0.979 |
231 |
1785 |
|
|
24 |
B2 |
1284 |
1227 |
0.956 |
231 |
1786 |
|
|
25 |
B2 |
1173 |
1143 |
0.975 |
231 |
1787 |
|
|
26 |
B2 |
1079 |
1079 |
1.000 |
231 |
1788 |
|
|
27 |
B2 |
671 |
652 |
0.972 |
231 |
1789 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3159 |
3058 |
0.968 |
232 |
1790 |
|
|
2 |
A' |
3121 |
2995 |
0.960 |
232 |
1791 |
|
|
3 |
A' |
3103 |
2963 |
0.955 |
232 |
1792 |
|
|
4 |
A' |
3019 |
2938 |
0.973 |
232 |
1793 |
|
|
5 |
A' |
2862 |
2805 |
0.980 |
232 |
1794 |
|
|
6 |
A' |
1772 |
1720 |
0.971 |
232 |
1795 |
|
|
7 |
A' |
1702 |
1649 |
0.969 |
232 |
1796 |
|
|
8 |
A' |
1485 |
1455 |
0.980 |
232 |
1797 |
|
|
9 |
A' |
1420 |
1391 |
0.980 |
232 |
1798 |
|
|
10 |
A' |
1414 |
1375 |
0.973 |
232 |
1799 |
|
|
11 |
A' |
1333 |
1304 |
0.978 |
232 |
1800 |
|
|
12 |
A' |
1284 |
1253 |
0.976 |
232 |
1801 |
|
|
13 |
A' |
1168 |
1147 |
0.982 |
232 |
1802 |
|
|
14 |
A' |
1092 |
1074 |
0.984 |
232 |
1803 |
|
|
15 |
A' |
944 |
973 |
1.031 |
232 |
1804 |
|
|
16 |
A' |
546 |
539 |
0.988 |
232 |
1805 |
|
|
17 |
A' |
462 |
464 |
1.005 |
232 |
1806 |
|
|
18 |
A' |
210 |
230 |
1.094 |
232 |
1807 |
|
|
19 |
A" |
3060 |
2980 |
0.974 |
232 |
1808 |
|
|
20 |
A" |
1478 |
1455 |
0.984 |
232 |
1809 |
|
|
21 |
A" |
1076 |
1042 |
0.968 |
232 |
1810 |
|
|
22 |
A" |
1034 |
973 |
0.941 |
232 |
1811 |
|
|
23 |
A" |
1011 |
928 |
0.918 |
232 |
1812 |
|
|
24 |
A" |
803 |
780 |
0.971 |
232 |
1813 |
|
|
25 |
A" |
300 |
295 |
0.985 |
232 |
1814 |
|
|
26 |
A" |
202 |
173 |
0.856 |
232 |
1815 |
|
|
27 |
A" |
130 |
122 |
0.935 |
232 |
1816 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3157 |
3035 |
0.961 |
233 |
1817 |
|
|
2 |
A' |
3150 |
3031 |
0.962 |
233 |
1818 |
|
|
3 |
A' |
3052 |
2966 |
0.972 |
233 |
1819 |
|
|
4 |
A' |
3049 |
2964 |
0.972 |
233 |
1820 |
|
|
5 |
A' |
1805 |
1771 |
0.981 |
233 |
1821 |
|
|
6 |
A' |
1501 |
1460 |
0.973 |
233 |
1822 |
|
|
7 |
A' |
1475 |
1440 |
0.976 |
233 |
1823 |
|
|
8 |
A' |
1472 |
1430 |
0.972 |
233 |
1824 |
|
|
9 |
A' |
1398 |
1375 |
0.983 |
233 |
1825 |
|
|
10 |
A' |
1265 |
1248 |
0.986 |
233 |
1826 |
|
|
11 |
A' |
1210 |
1159 |
0.958 |
233 |
1827 |
|
|
12 |
A' |
1071 |
1060 |
0.990 |
233 |
1828 |
|
|
13 |
A' |
984 |
980 |
0.996 |
233 |
1829 |
|
|
14 |
A' |
856 |
844 |
0.986 |
233 |
1830 |
|
|
15 |
A' |
644 |
639 |
0.993 |
233 |
1831 |
|
|
16 |
A' |
424 |
429 |
1.013 |
233 |
1832 |
|
|
17 |
A' |
282 |
303 |
1.075 |
233 |
1833 |
|
|
18 |
A" |
3118 |
3005 |
0.964 |
233 |
1834 |
|
|
19 |
A" |
3109 |
2994 |
0.963 |
233 |
1835 |
|
|
20 |
A" |
1485 |
1460 |
0.983 |
233 |
1836 |
|
|
21 |
A" |
1478 |
1430 |
0.967 |
233 |
1837 |
|
|
22 |
A" |
1176 |
1187 |
1.010 |
233 |
1838 |
|
|
23 |
A" |
1069 |
1036 |
0.969 |
233 |
1839 |
|
|
24 |
A" |
610 |
607 |
0.995 |
233 |
1840 |
|
|
25 |
A" |
178 |
187 |
1.051 |
233 |
1841 |
|
|
26 |
A" |
128 |
136 |
1.064 |
233 |
1842 |
|
|
27 |
A" |
45 |
110 |
2.436 |
233 |
1843 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3130 |
2989 |
0.955 |
234 |
1844 |
|
|
2 |
A1 |
3103 |
2941 |
0.948 |
234 |
1845 |
|
|
3 |
A1 |
3013 |
2911 |
0.966 |
234 |
1846 |
|
|
4 |
A1 |
1718 |
1661 |
0.967 |
234 |
1847 |
|
|
5 |
A1 |
1503 |
1470 |
0.978 |
234 |
1848 |
|
|
6 |
A1 |
1446 |
1416 |
0.980 |
234 |
1849 |
|
|
7 |
A1 |
1416 |
1366 |
0.965 |
234 |
1850 |
|
|
8 |
A1 |
1086 |
1064 |
0.980 |
234 |
1851 |
|
|
9 |
A1 |
815 |
801 |
0.983 |
234 |
1852 |
|
|
10 |
A1 |
379 |
383 |
1.009 |
234 |
1853 |
|
|
11 |
A2 |
3048 |
2970 |
0.974 |
234 |
1854 |
|
|
12 |
A2 |
1472 |
1459 |
0.991 |
234 |
1855 |
|
|
13 |
A2 |
1023 |
1076 |
1.052 |
234 |
1856 |
|
|
14 |
A2 |
705 |
|
|
234 |
1857 |
|
|
15 |
A2 |
170 |
193 |
1.136 |
234 |
1858 |
|
|
16 |
B1 |
3051 |
2945 |
0.965 |
234 |
1859 |
|
|
17 |
B1 |
1490 |
1444 |
0.969 |
234 |
1860 |
|
|
18 |
B1 |
1109 |
1079 |
0.973 |
234 |
1861 |
|
|
19 |
B1 |
925 |
890 |
0.963 |
234 |
1862 |
|
|
20 |
B1 |
442 |
429 |
0.970 |
234 |
1863 |
|
|
21 |
B1 |
211 |
196 |
0.931 |
234 |
1864 |
|
|
22 |
B2 |
3208 |
3086 |
0.962 |
234 |
1865 |
|
|
23 |
B2 |
3102 |
2980 |
0.961 |
234 |
1866 |
|
|
24 |
B2 |
3008 |
2893 |
0.962 |
234 |
1867 |
|
|
25 |
B2 |
1485 |
1458 |
0.982 |
234 |
1868 |
|
|
26 |
B2 |
1411 |
1381 |
0.979 |
234 |
1869 |
|
|
27 |
B2 |
1297 |
1282 |
0.988 |
234 |
1870 |
|
|
28 |
B2 |
988 |
1043 |
1.056 |
234 |
1871 |
|
|
29 |
B2 |
961 |
974 |
1.013 |
234 |
1872 |
|
|
30 |
B2 |
440 |
430 |
0.977 |
234 |
1873 |
C6H6 |
Benzene |
1 |
A1g |
3193 |
3062 |
0.959 |
235 |
1874 |
|
|
2 |
A1g |
1015 |
992 |
0.977 |
235 |
1875 |
|
|
3 |
A2g |
1390 |
1326 |
0.954 |
235 |
1876 |
|
|
4 |
A2u |
690 |
673 |
0.976 |
235 |
1877 |
|
|
5 |
B1u |
3158 |
3068 |
0.972 |
235 |
1878 |
|
|
6 |
B1u |
1031 |
1010 |
0.980 |
235 |
1879 |
|
|
7 |
B2g |
1021 |
995 |
0.974 |
235 |
1880 |
|
|
8 |
B2g |
727 |
703 |
0.968 |
235 |
1881 |
|
|
9 |
B2u |
1335 |
1310 |
0.981 |
235 |
1882 |
|
|
10 |
B2u |
1177 |
1150 |
0.977 |
235 |
1883 |
|
|
11 |
E1g |
867 |
849 |
0.980 |
235 |
1884 |
|
|
12 |
E1u |
3183 |
3063 |
0.962 |
235 |
1885 |
|
|
13 |
E1u |
1519 |
1486 |
0.978 |
235 |
1886 |
|
|
14 |
E1u |
1062 |
1038 |
0.977 |
235 |
1887 |
|
|
15 |
E2g |
3167 |
3047 |
0.962 |
235 |
1888 |
|
|
16 |
E2g |
1638 |
1596 |
0.975 |
235 |
1889 |
|
|
17 |
E2g |
1201 |
1178 |
0.981 |
235 |
1890 |
|
|
18 |
E2g |
624 |
606 |
0.971 |
235 |
1891 |
|
|
19 |
E2u |
988 |
975 |
0.987 |
235 |
1892 |
|
|
20 |
E2u |
414 |
410 |
0.991 |
235 |
1893 |
C4H8 |
cyclobutane |
1 |
A1 |
3077 |
2951 |
0.959 |
236 |
1894 |
|
|
2 |
A1 |
3051 |
2862 |
0.938 |
236 |
1895 |
|
|
3 |
A1 |
1524 |
1468 |
0.963 |
236 |
1896 |
|
|
4 |
A1 |
1179 |
1153 |
0.978 |
236 |
1897 |
|
|
5 |
A1 |
1012 |
1004 |
0.993 |
236 |
1898 |
|
|
6 |
A1 |
194 |
199 |
1.025 |
236 |
1899 |
|
|
7 |
A2 |
1264 |
1260 |
0.996 |
236 |
1900 |
|
|
8 |
A2 |
965 |
941 |
0.975 |
236 |
1901 |
|
|
9 |
B1 |
1259 |
1231 |
0.978 |
236 |
1902 |
|
|
10 |
B1 |
1170 |
1142 |
0.976 |
236 |
1903 |
|
|
11 |
B1 |
940 |
928 |
0.988 |
236 |
1904 |
|
|
12 |
B2 |
3109 |
2973 |
0.956 |
236 |
1905 |
|
|
13 |
B2 |
3045 |
2934 |
0.964 |
236 |
1906 |
|
|
14 |
B2 |
1494 |
1440 |
0.963 |
236 |
1907 |
|
|
15 |
B2 |
887 |
883 |
0.996 |
236 |
1908 |
|
|
16 |
B2 |
640 |
625 |
0.976 |
236 |
1909 |
|
|
17 |
E |
3091 |
2959 |
0.957 |
236 |
1910 |
|
|
18 |
E |
3046 |
2862 |
0.940 |
236 |
1911 |
|
|
19 |
E |
1486 |
1441 |
0.970 |
236 |
1912 |
|
|
20 |
E |
1289 |
1252 |
0.971 |
236 |
1913 |
|
|
21 |
E |
1249 |
1217 |
0.974 |
236 |
1914 |
|
|
22 |
E |
912 |
893 |
0.979 |
236 |
1915 |
|
|
23 |
E |
755 |
746 |
0.988 |
236 |
1916 |
C6H6 |
Fulvene |
1 |
A1 |
3232 |
3088 |
0.955 |
237 |
1917 |
|
|
2 |
A1 |
3209 |
3051 |
0.951 |
237 |
1918 |
|
|
3 |
A1 |
3139 |
3008 |
0.958 |
237 |
1919 |
|
|
4 |
A1 |
1700 |
1632 |
0.960 |
237 |
1920 |
|
|
5 |
A1 |
1532 |
1486 |
0.970 |
237 |
1921 |
|
|
6 |
A1 |
1458 |
1449 |
0.994 |
237 |
1922 |
|
|
7 |
A1 |
1374 |
1342 |
0.976 |
237 |
1923 |
|
|
8 |
A1 |
1106 |
1082 |
0.978 |
237 |
1924 |
|
|
9 |
A1 |
999 |
986 |
0.987 |
237 |
1925 |
|
|
10 |
A1 |
910 |
894 |
0.982 |
237 |
1926 |
|
|
11 |
A1 |
680 |
641 |
0.943 |
237 |
1927 |
|
|
12 |
A2 |
949 |
|
|
237 |
1928 |
|
|
13 |
A2 |
783 |
|
|
237 |
1929 |
|
|
14 |
A2 |
695 |
666 |
0.959 |
237 |
1930 |
|
|
15 |
A2 |
495 |
494 |
0.998 |
237 |
1931 |
|
|
16 |
B1 |
973 |
926 |
0.952 |
237 |
1932 |
|
|
17 |
B1 |
936 |
907 |
0.969 |
237 |
1933 |
|
|
18 |
B1 |
797 |
769 |
0.965 |
237 |
1934 |
|
|
19 |
B1 |
639 |
613 |
0.959 |
237 |
1935 |
|
|
20 |
B1 |
211 |
|
|
237 |
1936 |
|
|
21 |
B2 |
3226 |
|
|
237 |
1937 |
|
|
22 |
B2 |
3222 |
3104 |
0.963 |
237 |
1938 |
|
|
23 |
B2 |
3199 |
3075 |
0.961 |
237 |
1939 |
|
|
24 |
B2 |
1617 |
1550 |
0.959 |
237 |
1940 |
|
|
25 |
B2 |
1339 |
1314 |
0.981 |
237 |
1941 |
|
|
26 |
B2 |
1260 |
1232 |
0.978 |
237 |
1942 |
|
|
27 |
B2 |
1108 |
1077 |
0.972 |
237 |
1943 |
|
|
28 |
B2 |
966 |
952 |
0.985 |
237 |
1944 |
|
|
29 |
B2 |
808 |
795 |
0.984 |
237 |
1945 |
|
|
30 |
B2 |
346 |
350 |
1.012 |
237 |
1946 |
C3H6O3 |
1,3,5-Trioxane |
1 |
A1 |
3137 |
3020 |
0.963 |
238 |
1947 |
|
|
2 |
A1 |
2943 |
2855 |
0.970 |
238 |
1948 |
|
|
3 |
A1 |
1523 |
1477 |
0.970 |
238 |
1949 |
|
|
4 |
A1 |
1242 |
1168 |
0.940 |
238 |
1950 |
|
|
5 |
A1 |
982 |
970 |
0.988 |
238 |
1951 |
|
|
6 |
A1 |
757 |
749 |
0.989 |
238 |
1952 |
|
|
7 |
A1 |
453 |
476 |
1.050 |
238 |
1953 |
|
|
8 |
A2 |
1401 |
|
|
238 |
1954 |
|
|
9 |
A2 |
1248 |
1255 |
1.006 |
238 |
1955 |
|
|
10 |
A2 |
932 |
|
|
238 |
1956 |
|
|
11 |
E |
3133 |
3020 |
0.964 |
238 |
1957 |
|
|
12 |
E |
2926 |
2855 |
0.976 |
238 |
1958 |
|
|
13 |
E |
1506 |
1477 |
0.981 |
238 |
1959 |
|
|
14 |
E |
1440 |
1412 |
0.981 |
238 |
1960 |
|
|
15 |
E |
1328 |
1309 |
0.986 |
238 |
1961 |
|
|
16 |
E |
1185 |
1168 |
0.986 |
238 |
1962 |
|
|
17 |
E |
1077 |
1068 |
0.991 |
238 |
1963 |
|
|
18 |
E |
944 |
935 |
0.990 |
238 |
1964 |
|
|
19 |
E |
531 |
524 |
0.987 |
238 |
1965 |
|
|
20 |
E |
288 |
307 |
1.065 |
238 |
1966 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3224 |
3095 |
0.960 |
239 |
1967 |
|
|
2 |
A' |
3216 |
3095 |
0.963 |
239 |
1968 |
|
|
3 |
A' |
3146 |
3000 |
0.953 |
239 |
1969 |
|
|
4 |
A' |
3136 |
3000 |
0.956 |
239 |
1970 |
|
|
5 |
A' |
3131 |
3000 |
0.958 |
239 |
1971 |
|
|
6 |
A' |
3109 |
2984 |
0.960 |
239 |
1972 |
|
|
7 |
A' |
3025 |
2904 |
0.960 |
239 |
1973 |
|
|
8 |
A' |
1699 |
1638 |
0.964 |
239 |
1974 |
|
|
9 |
A' |
1661 |
1607 |
0.967 |
239 |
1975 |
|
|
10 |
A' |
1504 |
1464 |
0.973 |
239 |
1976 |
|
|
11 |
A' |
1463 |
1420 |
0.971 |
239 |
1977 |
|
|
12 |
A' |
1434 |
1389 |
0.969 |
239 |
1978 |
|
|
13 |
A' |
1415 |
1363 |
0.964 |
239 |
1979 |
|
|
14 |
A' |
1332 |
1313 |
0.985 |
239 |
1980 |
|
|
15 |
A' |
1330 |
1303 |
0.980 |
239 |
1981 |
|
|
16 |
A' |
1093 |
1072 |
0.980 |
239 |
1982 |
|
|
17 |
A' |
1017 |
1012 |
0.995 |
239 |
1983 |
|
|
18 |
A' |
963 |
953 |
0.990 |
239 |
1984 |
|
|
19 |
A' |
791 |
770 |
0.973 |
239 |
1985 |
|
|
20 |
A' |
538 |
530 |
0.986 |
239 |
1986 |
|
|
21 |
A' |
430 |
396 |
0.921 |
239 |
1987 |
|
|
22 |
A' |
279 |
196 |
0.703 |
239 |
1988 |
|
|
23 |
A" |
3071 |
2949 |
0.960 |
239 |
1989 |
|
|
24 |
A" |
1484 |
1451 |
0.978 |
239 |
1990 |
|
|
25 |
A" |
1073 |
1034 |
0.964 |
239 |
1991 |
|
|
26 |
A" |
1034 |
991 |
0.958 |
239 |
1992 |
|
|
27 |
A" |
943 |
907 |
0.962 |
239 |
1993 |
|
|
28 |
A" |
933 |
907 |
0.973 |
239 |
1994 |
|
|
29 |
A" |
791 |
757 |
0.957 |
239 |
1995 |
|
|
30 |
A" |
649 |
615 |
0.947 |
239 |
1996 |
|
|
31 |
A" |
413 |
290 |
0.702 |
239 |
1997 |
|
|
32 |
A" |
201 |
153 |
0.761 |
239 |
1998 |
C5H8 |
Cyclopentene |
1 |
A' |
3193 |
3066 |
0.960 |
240 |
1999 |
|
|
2 |
A' |
3091 |
2958 |
0.957 |
240 |
2000 |
|
|
3 |
A' |
3056 |
2916 |
0.954 |
240 |
2001 |
|
|
4 |
A' |
3036 |
2902 |
0.956 |
240 |
2002 |
|
|
5 |
A' |
2997 |
2852 |
0.952 |
240 |
2003 |
|
|
6 |
A' |
1681 |
1616 |
0.962 |
240 |
2004 |
|
|
7 |
A' |
1510 |
1467 |
0.971 |
240 |
2005 |
|
|
8 |
A' |
1487 |
1449 |
0.975 |
240 |
2006 |
|
|
9 |
A' |
1328 |
1302 |
0.980 |
240 |
2007 |
|
|
10 |
A' |
1232 |
1284 |
1.042 |
240 |
2008 |
|
|
11 |
A' |
1133 |
1213 |
1.071 |
240 |
2009 |
|
|
12 |
A' |
1072 |
1048 |
0.977 |
240 |
2010 |
|
|
13 |
A' |
973 |
964 |
0.991 |
240 |
2011 |
|
|
14 |
A' |
902 |
962 |
1.067 |
240 |
2012 |
|
|
15 |
A' |
819 |
904 |
1.103 |
240 |
2013 |
|
|
16 |
A' |
716 |
692 |
0.967 |
240 |
2014 |
|
|
17 |
A' |
620 |
603 |
0.973 |
240 |
2015 |
|
|
18 |
A' |
134 |
254 |
1.893 |
240 |
2016 |
|
|
19 |
A" |
3168 |
3039 |
0.959 |
240 |
2017 |
|
|
20 |
A" |
3044 |
2967 |
0.975 |
240 |
2018 |
|
|
21 |
A" |
2999 |
2927 |
0.976 |
240 |
2019 |
|
|
22 |
A" |
1491 |
1467 |
0.984 |
240 |
2020 |
|
|
23 |
A" |
1384 |
1432 |
1.035 |
240 |
2021 |
|
|
24 |
A" |
1321 |
1356 |
1.026 |
240 |
2022 |
|
|
25 |
A" |
1312 |
1302 |
0.992 |
240 |
2023 |
|
|
26 |
A" |
1228 |
1297 |
1.057 |
240 |
2024 |
|
|
27 |
A" |
1154 |
1207 |
1.045 |
240 |
2025 |
|
|
28 |
A" |
1035 |
1113 |
1.076 |
240 |
2026 |
|
|
29 |
A" |
980 |
1082 |
1.105 |
240 |
2027 |
|
|
30 |
A" |
918 |
937 |
1.021 |
240 |
2028 |
|
|
31 |
A" |
892 |
800 |
0.897 |
240 |
2029 |
|
|
32 |
A" |
786 |
702 |
0.893 |
240 |
2030 |
|
|
33 |
A" |
394 |
387 |
0.982 |
240 |
2031 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3117 |
2987 |
0.958 |
241 |
2032 |
|
|
2 |
A1 |
3106 |
2941 |
0.947 |
241 |
2033 |
|
|
3 |
A1 |
3015 |
2916 |
0.967 |
241 |
2034 |
|
|
4 |
A1 |
2053 |
1996 |
0.972 |
241 |
2035 |
|
|
5 |
A1 |
1516 |
1470 |
0.970 |
241 |
2036 |
|
|
6 |
A1 |
1475 |
1438 |
0.975 |
241 |
2037 |
|
|
7 |
A1 |
1416 |
1369 |
0.967 |
241 |
2038 |
|
|
8 |
A1 |
1317 |
1286 |
0.976 |
241 |
2039 |
|
|
9 |
A1 |
1027 |
973 |
0.947 |
241 |
2040 |
|
|
10 |
A1 |
734 |
726 |
0.989 |
241 |
2041 |
|
|
11 |
A1 |
342 |
349 |
1.020 |
241 |
2042 |
|
|
12 |
A2 |
3054 |
2941 |
0.963 |
241 |
2043 |
|
|
13 |
A2 |
1476 |
1470 |
0.996 |
241 |
2044 |
|
|
14 |
A2 |
1006 |
985 |
0.979 |
241 |
2045 |
|
|
15 |
A2 |
615 |
617 |
1.002 |
241 |
2046 |
|
|
17 |
B1 |
3173 |
3051 |
0.962 |
241 |
2047 |
|
|
18 |
B1 |
3055 |
2941 |
0.963 |
241 |
2048 |
|
|
19 |
B1 |
1492 |
1470 |
0.985 |
241 |
2049 |
|
|
20 |
B1 |
1101 |
1068 |
0.970 |
241 |
2050 |
|
|
21 |
B1 |
1029 |
1004 |
0.976 |
241 |
2051 |
|
|
22 |
B1 |
464 |
443 |
0.954 |
241 |
2052 |
|
|
23 |
B1 |
261 |
187 |
0.718 |
241 |
2053 |
|
|
25 |
B2 |
3116 |
2941 |
0.944 |
241 |
2054 |
|
|
26 |
B2 |
3011 |
2916 |
0.969 |
241 |
2055 |
|
|
27 |
B2 |
1484 |
1470 |
0.991 |
241 |
2056 |
|
|
28 |
B2 |
1400 |
1369 |
0.978 |
241 |
2057 |
|
|
29 |
B2 |
1204 |
1191 |
0.990 |
241 |
2058 |
|
|
30 |
B2 |
968 |
968 |
1.000 |
241 |
2059 |
|
|
31 |
B2 |
880 |
848 |
0.963 |
241 |
2060 |
|
|
32 |
B2 |
608 |
554 |
0.912 |
241 |
2061 |
|
|
33 |
B2 |
186 |
187 |
1.005 |
241 |
2062 |
C5H8 |
Spiropentane |
1 |
A1 |
3115 |
3000 |
0.963 |
242 |
2063 |
|
|
2 |
A1 |
1498 |
1423 |
0.950 |
242 |
2064 |
|
|
3 |
A1 |
1077 |
1160 |
1.077 |
242 |
2065 |
|
|
4 |
A1 |
1053 |
1037 |
0.985 |
242 |
2066 |
|
|
5 |
A1 |
600 |
588 |
0.979 |
242 |
2067 |
|
|
6 |
A2 |
3184 |
3070 |
0.964 |
242 |
2068 |
|
|
7 |
A2 |
1173 |
1174 |
1.001 |
242 |
2069 |
|
|
8 |
A2 |
846 |
919 |
1.086 |
242 |
2070 |
|
|
9 |
B1 |
3183 |
3066 |
0.963 |
242 |
2071 |
|
|
10 |
B1 |
1183 |
1166 |
0.986 |
242 |
2072 |
|
|
11 |
B1 |
1029 |
888 |
0.863 |
242 |
2073 |
|
|
12 |
B1 |
295 |
300 |
1.016 |
242 |
2074 |
|
|
13 |
B2 |
3114 |
3000 |
0.963 |
242 |
2075 |
|
|
14 |
B2 |
1571 |
1521 |
0.968 |
242 |
2076 |
|
|
15 |
B2 |
1435 |
1415 |
0.986 |
242 |
2077 |
|
|
16 |
B2 |
1018 |
990 |
0.973 |
242 |
2078 |
|
|
17 |
B2 |
895 |
872 |
0.974 |
242 |
2079 |
|
|
18 |
E |
3197 |
3067 |
0.959 |
242 |
2080 |
|
|
19 |
E |
3111 |
2985 |
0.959 |
242 |
2081 |
|
|
20 |
E |
1469 |
1431 |
0.974 |
242 |
2082 |
|
|
21 |
E |
1182 |
1150 |
0.973 |
242 |
2083 |
|
|
22 |
E |
1084 |
1049 |
0.968 |
242 |
2084 |
|
|
23 |
E |
888 |
870 |
0.980 |
242 |
2085 |
|
|
24 |
E |
790 |
780 |
0.987 |
242 |
2086 |
|
|
25 |
E |
310 |
308 |
0.994 |
242 |
2087 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3054 |
2953 |
0.967 |
243 |
2088 |
|
|
2 |
A1 |
2910 |
2775 |
0.954 |
243 |
2089 |
|
|
3 |
A1 |
1502 |
1459 |
0.971 |
243 |
2090 |
|
|
4 |
A1 |
1483 |
1444 |
0.973 |
243 |
2091 |
|
|
5 |
A1 |
1207 |
1186 |
0.982 |
243 |
2092 |
|
|
6 |
A1 |
829 |
828 |
0.999 |
243 |
2093 |
|
|
7 |
A1 |
355 |
367 |
1.034 |
243 |
2094 |
|
|
8 |
A2 |
3089 |
2977 |
0.964 |
243 |
2095 |
|
|
9 |
A2 |
1490 |
1453 |
0.975 |
243 |
2096 |
|
|
10 |
A2 |
1070 |
1046 |
0.978 |
243 |
2097 |
|
|
11 |
A2 |
250 |
255 |
1.020 |
243 |
2098 |
|
|
12 |
E |
3093 |
2981 |
0.964 |
243 |
2099 |
|
|
13 |
E |
3049 |
2953 |
0.968 |
243 |
2100 |
|
|
14 |
E |
2895 |
2776 |
0.959 |
243 |
2101 |
|
|
15 |
E |
1512 |
1471 |
0.973 |
243 |
2102 |
|
|
16 |
E |
1482 |
1444 |
0.974 |
243 |
2103 |
|
|
17 |
E |
1442 |
1409 |
0.977 |
243 |
2104 |
|
|
18 |
E |
1305 |
1275 |
0.977 |
243 |
2105 |
|
|
19 |
E |
1120 |
1103 |
0.985 |
243 |
2106 |
|
|
20 |
E |
1056 |
1043 |
0.988 |
243 |
2107 |
|
|
21 |
E |
419 |
424 |
1.011 |
243 |
2108 |
|
|
22 |
E |
266 |
281 |
1.058 |
243 |
2109 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3098 |
2974 |
0.960 |
244 |
2110 |
|
|
2 |
A' |
3091 |
2953 |
0.955 |
244 |
2111 |
|
|
3 |
A' |
3054 |
2940 |
0.963 |
244 |
2112 |
|
|
4 |
A' |
3027 |
2876 |
0.950 |
244 |
2113 |
|
|
5 |
A' |
2831 |
2757 |
0.974 |
244 |
2114 |
|
|
6 |
A' |
1811 |
1752 |
0.967 |
244 |
2115 |
|
|
7 |
A' |
1513 |
1474 |
0.974 |
244 |
2116 |
|
|
8 |
A' |
1506 |
1449 |
0.962 |
244 |
2117 |
|
|
9 |
A' |
1430 |
1399 |
0.978 |
244 |
2118 |
|
|
10 |
A' |
1412 |
1381 |
0.978 |
244 |
2119 |
|
|
11 |
A' |
1320 |
1329 |
1.007 |
244 |
2120 |
|
|
12 |
A' |
1185 |
1182 |
0.997 |
244 |
2121 |
|
|
13 |
A' |
1181 |
1138 |
0.963 |
244 |
2122 |
|
|
14 |
A' |
913 |
922 |
1.010 |
244 |
2123 |
|
|
15 |
A' |
846 |
800 |
0.945 |
244 |
2124 |
|
|
16 |
A' |
545 |
632 |
1.159 |
244 |
2125 |
|
|
17 |
A' |
359 |
395 |
1.101 |
244 |
2126 |
|
|
18 |
A' |
331 |
272 |
0.821 |
244 |
2127 |
|
|
19 |
A' |
229 |
212 |
0.927 |
244 |
2128 |
|
|
20 |
A" |
3098 |
2990 |
0.965 |
244 |
2129 |
|
|
21 |
A" |
3084 |
2982 |
0.967 |
244 |
2130 |
|
|
22 |
A" |
3024 |
2885 |
0.954 |
244 |
2131 |
|
|
23 |
A" |
1494 |
1467 |
0.982 |
244 |
2132 |
|
|
24 |
A" |
1490 |
1452 |
0.974 |
244 |
2133 |
|
|
25 |
A" |
1404 |
1437 |
1.023 |
244 |
2134 |
|
|
26 |
A" |
1350 |
1290 |
0.956 |
244 |
2135 |
|
|
27 |
A" |
1135 |
1109 |
0.977 |
244 |
2136 |
|
|
28 |
A" |
984 |
965 |
0.981 |
244 |
2137 |
|
|
29 |
A" |
960 |
942 |
0.981 |
244 |
2138 |
|
|
30 |
A" |
936 |
933 |
0.997 |
244 |
2139 |
|
|
31 |
A" |
331 |
351 |
1.061 |
244 |
2140 |
|
|
32 |
A" |
212 |
227 |
1.072 |
244 |
2141 |
|
|
33 |
A" |
68 |
75 |
1.109 |
244 |
2142 |
CH3CH(CH3)CH3 |
Isobutane |
1 |
A1 |
3080 |
2965 |
0.963 |
245 |
2143 |
|
|
2 |
A1 |
3021 |
2904 |
0.961 |
245 |
2144 |
|
|
3 |
A1 |
2994 |
2880 |
0.962 |
245 |
2145 |
|
|
4 |
A1 |
1514 |
1477 |
0.976 |
245 |
2146 |
|
|
5 |
A1 |
1431 |
1394 |
0.974 |
245 |
2147 |
|
|
6 |
A1 |
1213 |
1177 |
0.971 |
245 |
2148 |
|
|
7 |
A1 |
795 |
797 |
1.002 |
245 |
2149 |
|
|
8 |
A1 |
436 |
426 |
0.977 |
245 |
2150 |
|
|
9 |
A2 |
3078 |
|
|
245 |
2151 |
|
|
10 |
A2 |
1483 |
|
|
245 |
2152 |
|
|
11 |
A2 |
957 |
|
|
245 |
2153 |
|
|
12 |
A2 |
209 |
198 |
0.947 |
245 |
2154 |
|
|
13 |
E |
3083 |
2962 |
0.961 |
245 |
2155 |
|
|
14 |
E |
3070 |
2951 |
0.961 |
245 |
2156 |
|
|
15 |
E |
3013 |
2887 |
0.958 |
245 |
2157 |
|
|
16 |
E |
1509 |
1468 |
0.973 |
245 |
2158 |
|
|
17 |
E |
1489 |
1459 |
0.980 |
245 |
2159 |
|
|
18 |
E |
1402 |
1371 |
0.978 |
245 |
2160 |
|
|
19 |
E |
1362 |
1330 |
0.977 |
245 |
2161 |
|
|
20 |
E |
1193 |
1166 |
0.978 |
245 |
2162 |
|
|
21 |
E |
971 |
961 |
0.990 |
245 |
2163 |
|
|
22 |
E |
924 |
918 |
0.993 |
245 |
2164 |
|
|
23 |
E |
361 |
367 |
1.018 |
245 |
2165 |
|
|
24 |
E |
253 |
280 |
1.106 |
245 |
2166 |
CH3CH2CH2CH3 |
Butane |
1 |
Ag |
3084 |
2965 |
0.961 |
246 |
2167 |
|
|
2 |
Ag |
3021 |
2872 |
0.951 |
246 |
2168 |
|
|
3 |
Ag |
3001 |
2853 |
0.951 |
246 |
2169 |
|
|
4 |
Ag |
1506 |
1460 |
0.969 |
246 |
2170 |
|
|
5 |
Ag |
1490 |
1442 |
0.968 |
246 |
2171 |
|
|
6 |
Ag |
1413 |
1382 |
0.978 |
246 |
2172 |
|
|
7 |
Ag |
1396 |
1361 |
0.975 |
246 |
2173 |
|
|
8 |
Ag |
1169 |
1151 |
0.984 |
246 |
2174 |
|
|
9 |
Ag |
1066 |
1059 |
0.994 |
246 |
2175 |
|
|
10 |
Ag |
838 |
837 |
0.998 |
246 |
2176 |
|
|
11 |
Ag |
423 |
425 |
1.004 |
246 |
2177 |
|
|
12 |
Au |
3080 |
2968 |
0.964 |
246 |
2178 |
|
|
13 |
Au |
3040 |
2930 |
0.964 |
246 |
2179 |
|
|
14 |
Au |
1500 |
1461 |
0.974 |
246 |
2180 |
|
|
15 |
Au |
1293 |
1257 |
0.972 |
246 |
2181 |
|
|
16 |
Au |
967 |
948 |
0.980 |
246 |
2182 |
|
|
17 |
Au |
738 |
731 |
0.990 |
246 |
2183 |
|
|
18 |
Au |
217 |
194 |
0.895 |
246 |
2184 |
|
|
19 |
Au |
121 |
102 |
0.843 |
246 |
2185 |
|
|
20 |
Bg |
3076 |
2965 |
0.964 |
246 |
2186 |
|
|
21 |
Bg |
3017 |
2912 |
0.965 |
246 |
2187 |
|
|
22 |
Bg |
1499 |
1460 |
0.974 |
246 |
2188 |
|
|
23 |
Bg |
1337 |
1300 |
0.972 |
246 |
2189 |
|
|
24 |
Bg |
1212 |
1180 |
0.973 |
246 |
2190 |
|
|
25 |
Bg |
813 |
803 |
0.987 |
246 |
2191 |
|
|
26 |
Bg |
255 |
225 |
0.883 |
246 |
2192 |
|
|
27 |
Bu |
3085 |
2968 |
0.962 |
246 |
2193 |
|
|
28 |
Bu |
3021 |
2870 |
0.950 |
246 |
2194 |
|
|
29 |
Bu |
3009 |
2853 |
0.948 |
246 |
2195 |
|
|
30 |
Bu |
1515 |
1461 |
0.964 |
246 |
2196 |
|
|
31 |
Bu |
1494 |
1461 |
0.978 |
246 |
2197 |
|
|
32 |
Bu |
1414 |
1379 |
0.975 |
246 |
2198 |
|
|
33 |
Bu |
1330 |
1290 |
0.970 |
246 |
2199 |
|
|
34 |
Bu |
1016 |
1009 |
0.993 |
246 |
2200 |
|
|
35 |
Bu |
981 |
964 |
0.983 |
246 |
2201 |
|
|
36 |
Bu |
257 |
271 |
1.056 |
246 |
2202 |
C6H8 |
(E)-hexa-1,3,5-triene |
1 |
Ag |
3224 |
3085 |
0.957 |
247 |
2203 |
|
|
2 |
Ag |
3138 |
3054 |
0.973 |
247 |
2204 |
|
|
3 |
Ag |
3130 |
3054 |
0.976 |
247 |
2205 |
|
|
4 |
Ag |
3122 |
2989 |
0.957 |
247 |
2206 |
|
|
5 |
Ag |
1689 |
1627 |
0.963 |
247 |
2207 |
|
|
6 |
Ag |
1637 |
1579 |
0.965 |
247 |
2208 |
|
|
7 |
Ag |
1440 |
1400 |
0.972 |
247 |
2209 |
|
|
8 |
Ag |
1335 |
1288 |
0.965 |
247 |
2210 |
|
|
9 |
Ag |
1318 |
1220 |
0.926 |
247 |
2211 |
|
|
10 |
Ag |
1221 |
1192 |
0.976 |
247 |
2212 |
|
|
11 |
Ag |
950 |
934 |
0.983 |
247 |
2213 |
|
|
12 |
Ag |
447 |
444 |
0.994 |
247 |
2214 |
|
|
13 |
Ag |
355 |
355 |
1.001 |
247 |
2215 |
|
|
14 |
Au |
1058 |
1013 |
0.958 |
247 |
2216 |
|
|
15 |
Au |
972 |
941 |
0.968 |
247 |
2217 |
|
|
16 |
Au |
932 |
901 |
0.967 |
247 |
2218 |
|
|
17 |
Au |
713 |
683 |
0.958 |
247 |
2219 |
|
|
18 |
Au |
256 |
|
|
247 |
2220 |
|
|
19 |
Au |
101 |
90 |
0.893 |
247 |
2221 |
|
|
20 |
Bg |
1027 |
988 |
0.962 |
247 |
2222 |
|
|
21 |
Bg |
939 |
928 |
0.988 |
247 |
2223 |
|
|
22 |
Bg |
909 |
872 |
0.959 |
247 |
2224 |
|
|
23 |
Bg |
619 |
|
|
247 |
2225 |
|
|
24 |
Bg |
226 |
217 |
0.961 |
247 |
2226 |
|
|
25 |
Bu |
3224 |
3099 |
0.961 |
247 |
2227 |
|
|
26 |
Bu |
3138 |
3045 |
0.970 |
247 |
2228 |
|
|
27 |
Bu |
3137 |
3019 |
0.962 |
247 |
2229 |
|
|
28 |
Bu |
3121 |
2953 |
0.946 |
247 |
2230 |
|
|
29 |
Bu |
1685 |
1629 |
0.967 |
247 |
2231 |
|
|
30 |
Bu |
1472 |
1432 |
0.973 |
247 |
2232 |
|
|
31 |
Bu |
1329 |
1295 |
0.975 |
247 |
2233 |
|
|
32 |
Bu |
1289 |
1255 |
0.974 |
247 |
2234 |
|
|
33 |
Bu |
1159 |
1186 |
1.023 |
247 |
2235 |
|
|
34 |
Bu |
983 |
963 |
0.980 |
247 |
2236 |
|
|
35 |
Bu |
546 |
590 |
1.080 |
247 |
2237 |
|
|
36 |
Bu |
150 |
170 |
1.136 |
247 |
2238 |
C4H9N |
Pyrrolidine |
1 |
A' |
3526 |
3356 |
0.952 |
248 |
2239 |
|
|
2 |
A' |
3105 |
2975 |
0.958 |
248 |
2240 |
|
|
3 |
A' |
3071 |
2927 |
0.953 |
248 |
2241 |
|
|
4 |
A' |
3058 |
2889 |
0.945 |
248 |
2242 |
|
|
5 |
A' |
2920 |
2824 |
0.967 |
248 |
2243 |
|
|
6 |
A' |
1535 |
1484 |
0.967 |
248 |
2244 |
|
|
7 |
A' |
1509 |
1447 |
0.959 |
248 |
2245 |
|
|
8 |
A' |
1398 |
1292 |
0.924 |
248 |
2246 |
|
|
9 |
A' |
1317 |
1273 |
0.966 |
248 |
2247 |
|
|
10 |
A' |
1245 |
1228 |
0.987 |
248 |
2248 |
|
|
11 |
A' |
1226 |
1181 |
0.963 |
248 |
2249 |
|
|
12 |
A' |
1065 |
974 |
0.915 |
248 |
2250 |
|
|
13 |
A' |
1003 |
920 |
0.917 |
248 |
2251 |
|
|
14 |
A' |
939 |
901 |
0.959 |
248 |
2252 |
|
|
15 |
A' |
898 |
871 |
0.970 |
248 |
2253 |
|
|
16 |
A' |
869 |
832 |
0.958 |
248 |
2254 |
|
|
17 |
A' |
766 |
789 |
1.030 |
248 |
2255 |
|
|
18 |
A' |
580 |
579 |
0.998 |
248 |
2256 |
|
|
19 |
A' |
294 |
299 |
1.016 |
248 |
2257 |
|
|
20 |
A" |
3084 |
2967 |
0.962 |
248 |
2258 |
|
|
21 |
A" |
3062 |
2916 |
0.952 |
248 |
2259 |
|
|
22 |
A" |
3052 |
2879 |
0.943 |
248 |
2260 |
|
|
23 |
A" |
2916 |
2818 |
0.966 |
248 |
2261 |
|
|
24 |
A" |
1517 |
1459 |
0.962 |
248 |
2262 |
|
|
25 |
A" |
1492 |
1412 |
0.946 |
248 |
2263 |
|
|
26 |
A" |
1442 |
1341 |
0.930 |
248 |
2264 |
|
|
27 |
A" |
1332 |
1268 |
0.952 |
248 |
2265 |
|
|
28 |
A" |
1310 |
1211 |
0.924 |
248 |
2266 |
|
|
29 |
A" |
1250 |
1203 |
0.962 |
248 |
2267 |
|
|
30 |
A" |
1204 |
1171 |
0.972 |
248 |
2268 |
|
|
31 |
A" |
1133 |
1099 |
0.970 |
248 |
2269 |
|
|
32 |
A" |
1103 |
1023 |
0.927 |
248 |
2270 |
|
|
33 |
A" |
929 |
883 |
0.951 |
248 |
2271 |
|
|
34 |
A" |
874 |
848 |
0.971 |
248 |
2272 |
|
|
35 |
A" |
641 |
600 |
0.936 |
248 |
2273 |
|
|
36 |
A" |
84 |
65 |
0.770 |
248 |
2274 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3474 |
3345 |
0.963 |
249 |
2275 |
|
|
2 |
A' |
3119 |
2975 |
0.954 |
249 |
2276 |
|
|
3 |
A' |
3089 |
2950 |
0.955 |
249 |
2277 |
|
|
4 |
A' |
3066 |
2918 |
0.952 |
249 |
2278 |
|
|
5 |
A' |
3051 |
2905 |
0.952 |
249 |
2279 |
|
|
6 |
A' |
2964 |
2887 |
0.974 |
249 |
2280 |
|
|
7 |
A' |
1653 |
1614 |
0.976 |
249 |
2281 |
|
|
8 |
A' |
1503 |
1467 |
0.976 |
249 |
2282 |
|
|
9 |
A' |
1479 |
1443 |
0.976 |
249 |
2283 |
|
|
10 |
A' |
1381 |
1390 |
1.007 |
249 |
2284 |
|
|
11 |
A' |
1290 |
1291 |
1.001 |
249 |
2285 |
|
|
12 |
A' |
1241 |
1237 |
0.997 |
249 |
2286 |
|
|
13 |
A' |
1158 |
1137 |
0.982 |
249 |
2287 |
|
|
14 |
A' |
1079 |
1120 |
1.038 |
249 |
2288 |
|
|
15 |
A' |
957 |
1050 |
1.097 |
249 |
2289 |
|
|
16 |
A' |
884 |
965 |
1.092 |
249 |
2290 |
|
|
17 |
A' |
855 |
788 |
0.922 |
249 |
2291 |
|
|
18 |
A' |
813 |
752 |
0.925 |
249 |
2292 |
|
|
19 |
A' |
675 |
606 |
0.897 |
249 |
2293 |
|
|
20 |
A' |
405 |
448 |
1.106 |
249 |
2294 |
|
|
21 |
A' |
143 |
174 |
1.213 |
249 |
2295 |
|
|
22 |
A" |
3551 |
3411 |
0.961 |
249 |
2296 |
|
|
23 |
A" |
3095 |
2970 |
0.959 |
249 |
2297 |
|
|
24 |
A" |
3046 |
2957 |
0.971 |
249 |
2298 |
|
|
25 |
A" |
1472 |
1452 |
0.987 |
249 |
2299 |
|
|
26 |
A" |
1342 |
1213 |
0.904 |
249 |
2300 |
|
|
27 |
A" |
1279 |
1185 |
0.927 |
249 |
2301 |
|
|
28 |
A" |
1264 |
1168 |
0.924 |
249 |
2302 |
|
|
29 |
A" |
1224 |
1036 |
0.847 |
249 |
2303 |
|
|
30 |
A" |
1173 |
|
|
249 |
2304 |
|
|
31 |
A" |
1033 |
925 |
0.896 |
249 |
2305 |
|
|
32 |
A" |
936 |
912 |
0.974 |
249 |
2306 |
|
|
33 |
A" |
914 |
883 |
0.967 |
249 |
2307 |
|
|
34 |
A" |
767 |
788 |
1.027 |
249 |
2308 |
|
|
35 |
A" |
392 |
354 |
0.904 |
249 |
2309 |
|
|
36 |
A" |
262 |
240 |
0.916 |
249 |
2310 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3083 |
2968 |
0.963 |
250 |
2311 |
|
|
2 |
Ag |
2972 |
2856 |
0.961 |
250 |
2312 |
|
|
3 |
Ag |
1494 |
1444 |
0.966 |
250 |
2313 |
|
|
4 |
Ag |
1417 |
1397 |
0.986 |
250 |
2314 |
|
|
5 |
Ag |
1327 |
1305 |
0.983 |
250 |
2315 |
|
|
6 |
Ag |
1148 |
1128 |
0.983 |
250 |
2316 |
|
|
7 |
Ag |
1018 |
1015 |
0.997 |
250 |
2317 |
|
|
8 |
Ag |
844 |
837 |
0.991 |
250 |
2318 |
|
|
9 |
Ag |
438 |
435 |
0.993 |
250 |
2319 |
|
|
10 |
Ag |
410 |
424 |
1.034 |
250 |
2320 |
|
|
11 |
Au |
3081 |
2970 |
0.964 |
250 |
2321 |
|
|
12 |
Au |
2965 |
2863 |
0.966 |
250 |
2322 |
|
|
13 |
Au |
1482 |
1449 |
0.978 |
250 |
2323 |
|
|
14 |
Au |
1388 |
1369 |
0.986 |
250 |
2324 |
|
|
15 |
Au |
1281 |
1256 |
0.980 |
250 |
2325 |
|
|
16 |
Au |
1136 |
1136 |
1.000 |
250 |
2326 |
|
|
17 |
Au |
1106 |
1086 |
0.981 |
250 |
2327 |
|
|
18 |
Au |
892 |
881 |
0.987 |
250 |
2328 |
|
|
19 |
Au |
246 |
288 |
1.173 |
250 |
2329 |
|
|
20 |
Bg |
3081 |
2968 |
0.963 |
250 |
2330 |
|
|
21 |
Bg |
2978 |
2856 |
0.959 |
250 |
2331 |
|
|
22 |
Bg |
1482 |
1459 |
0.984 |
250 |
2332 |
|
|
23 |
Bg |
1363 |
1335 |
0.980 |
250 |
2333 |
|
|
24 |
Bg |
1238 |
1217 |
0.983 |
250 |
2334 |
|
|
25 |
Bg |
1130 |
1110 |
0.982 |
250 |
2335 |
|
|
26 |
Bg |
861 |
853 |
0.991 |
250 |
2336 |
|
|
27 |
Bg |
491 |
490 |
0.998 |
250 |
2337 |
|
|
28 |
Bu |
3082 |
2970 |
0.964 |
250 |
2338 |
|
|
29 |
Bu |
2983 |
2863 |
0.960 |
250 |
2339 |
|
|
30 |
Bu |
1490 |
1457 |
0.978 |
250 |
2340 |
|
|
31 |
Bu |
1411 |
1378 |
0.977 |
250 |
2341 |
|
|
32 |
Bu |
1316 |
1291 |
0.981 |
250 |
2342 |
|
|
33 |
Bu |
1065 |
1052 |
0.988 |
250 |
2343 |
|
|
34 |
Bu |
884 |
889 |
1.005 |
250 |
2344 |
|
|
35 |
Bu |
613 |
610 |
0.996 |
250 |
2345 |
|
|
36 |
Bu |
261 |
274 |
1.048 |
250 |
2346 |
C6H5CHO |
benzaldehyde |
1 |
A' |
3198 |
3099 |
0.969 |
251 |
2347 |
|
|
2 |
A' |
3192 |
3081 |
0.965 |
251 |
2348 |
|
|
3 |
A' |
3182 |
3081 |
0.968 |
251 |
2349 |
|
|
4 |
A' |
3170 |
3043 |
0.960 |
251 |
2350 |
|
|
5 |
A' |
3160 |
3034 |
0.960 |
251 |
2351 |
|
|
6 |
A' |
2878 |
2806 |
0.975 |
251 |
2352 |
|
|
7 |
A' |
1777 |
1728 |
0.973 |
251 |
2353 |
|
|
8 |
A' |
1642 |
1614 |
0.983 |
251 |
2354 |
|
|
9 |
A' |
1625 |
1603 |
0.986 |
251 |
2355 |
|
|
10 |
A' |
1528 |
1492 |
0.977 |
251 |
2356 |
|
|
11 |
A' |
1492 |
1460 |
0.979 |
251 |
2357 |
|
|
12 |
A' |
1424 |
1387 |
0.974 |
251 |
2358 |
|
|
13 |
A' |
1356 |
1314 |
0.969 |
251 |
2359 |
|
|
14 |
A' |
1338 |
1276 |
0.953 |
251 |
2360 |
|
|
15 |
A' |
1226 |
1202 |
0.980 |
251 |
2361 |
|
|
16 |
A' |
1191 |
1168 |
0.981 |
251 |
2362 |
|
|
17 |
A' |
1186 |
1158 |
0.976 |
251 |
2363 |
|
|
18 |
A' |
1104 |
1074 |
0.973 |
251 |
2364 |
|
|
19 |
A' |
1047 |
1026 |
0.980 |
251 |
2365 |
|
|
20 |
A' |
1022 |
996 |
0.975 |
251 |
2366 |
|
|
21 |
A' |
841 |
825 |
0.981 |
251 |
2367 |
|
|
22 |
A' |
664 |
649 |
0.977 |
251 |
2368 |
|
|
23 |
A' |
633 |
617 |
0.975 |
251 |
2369 |
|
|
24 |
A' |
443 |
437 |
0.986 |
251 |
2370 |
|
|
25 |
A' |
222 |
224 |
1.010 |
251 |
2371 |
|
|
26 |
A" |
1040 |
1003 |
0.964 |
251 |
2372 |
|
|
27 |
A" |
1022 |
996 |
0.974 |
251 |
2373 |
|
|
28 |
A" |
1004 |
978 |
0.974 |
251 |
2374 |
|
|
29 |
A" |
951 |
918 |
0.966 |
251 |
2375 |
|
|
30 |
A" |
871 |
852 |
0.978 |
251 |
2376 |
|
|
31 |
A" |
769 |
740 |
0.962 |
251 |
2377 |
|
|
32 |
A" |
711 |
688 |
0.968 |
251 |
2378 |
|
|
33 |
A" |
469 |
450 |
0.959 |
251 |
2379 |
|
|
34 |
A" |
421 |
400 |
0.951 |
251 |
2380 |
|
|
35 |
A" |
238 |
217 |
0.913 |
251 |
2381 |
|
|
36 |
A" |
119 |
111 |
0.931 |
251 |
2382 |
C8H8 |
cubane |
1 |
A1g |
3128 |
2995 |
0.957 |
252 |
2383 |
|
|
2 |
A1g |
1016 |
1002 |
0.986 |
252 |
2384 |
|
|
3 |
A2u |
3093 |
2978 |
0.963 |
252 |
2385 |
|
|
4 |
A2u |
1053 |
839 |
0.797 |
252 |
2386 |
|
|
5 |
Eg |
1112 |
1083 |
0.974 |
252 |
2387 |
|
|
6 |
Eg |
912 |
912 |
1.000 |
252 |
2388 |
|
|
7 |
Eu |
1184 |
1151 |
0.972 |
252 |
2389 |
|
|
8 |
Eu |
624 |
617 |
0.989 |
252 |
2390 |
|
|
9 |
T1g |
1165 |
1130 |
0.970 |
252 |
2391 |
|
|
10 |
T1u |
3110 |
2978 |
0.958 |
252 |
2392 |
|
|
11 |
T1u |
1268 |
1230 |
0.970 |
252 |
2393 |
|
|
12 |
T1u |
866 |
853 |
0.985 |
252 |
2394 |
|
|
13 |
T2g |
3103 |
2970 |
0.957 |
252 |
2395 |
|
|
14 |
T2g |
1222 |
1182 |
0.967 |
252 |
2396 |
|
|
15 |
T2g |
840 |
821 |
0.978 |
252 |
2397 |
|
|
16 |
T2g |
683 |
665 |
0.974 |
252 |
2398 |
|
|
17 |
T2u |
1068 |
1036 |
0.970 |
252 |
2399 |
|
|
18 |
T2u |
836 |
829 |
0.992 |
252 |
2400 |
C5H12 |
Pentane |
1 |
A1 |
3084 |
2973 |
0.964 |
253 |
2401 |
|
|
2 |
A1 |
3022 |
2892 |
0.957 |
253 |
2402 |
|
|
3 |
A1 |
3013 |
2866 |
0.951 |
253 |
2403 |
|
|
4 |
A1 |
2994 |
2866 |
0.957 |
253 |
2404 |
|
|
5 |
A1 |
1518 |
1480 |
0.975 |
253 |
2405 |
|
|
6 |
A1 |
1499 |
1463 |
0.976 |
253 |
2406 |
|
|
7 |
A1 |
1488 |
1450 |
0.974 |
253 |
2407 |
|
|
8 |
A1 |
1416 |
1379 |
0.974 |
253 |
2408 |
|
|
9 |
A1 |
1373 |
1346 |
0.980 |
253 |
2409 |
|
|
10 |
A1 |
1163 |
1144 |
0.984 |
253 |
2410 |
|
|
11 |
A1 |
1041 |
1036 |
0.996 |
253 |
2411 |
|
|
12 |
A1 |
873 |
867 |
0.993 |
253 |
2412 |
|
|
13 |
A1 |
397 |
401 |
1.010 |
253 |
2413 |
|
|
14 |
A1 |
177 |
179 |
1.013 |
253 |
2414 |
|
|
15 |
A2 |
3078 |
2967 |
0.964 |
253 |
2415 |
|
|
16 |
A2 |
3029 |
2908 |
0.960 |
253 |
2416 |
|
|
17 |
A2 |
1501 |
1462 |
0.974 |
253 |
2417 |
|
|
18 |
A2 |
1337 |
1346 |
1.007 |
253 |
2418 |
|
|
19 |
A2 |
1272 |
1269 |
0.998 |
253 |
2419 |
|
|
20 |
A2 |
999 |
993 |
0.994 |
253 |
2420 |
|
|
21 |
A2 |
769 |
766 |
0.996 |
253 |
2421 |
|
|
22 |
A2 |
245 |
210 |
0.859 |
253 |
2422 |
|
|
23 |
A2 |
114 |
131 |
1.154 |
253 |
2423 |
|
|
24 |
B1 |
3080 |
2965 |
0.963 |
253 |
2424 |
|
|
25 |
B1 |
3047 |
2930 |
0.962 |
253 |
2425 |
|
|
26 |
B1 |
3011 |
2930 |
0.973 |
253 |
2426 |
|
|
27 |
B1 |
1500 |
1469 |
0.979 |
253 |
2427 |
|
|
28 |
B1 |
1330 |
1303 |
0.980 |
253 |
2428 |
|
|
29 |
B1 |
1212 |
1170 |
0.966 |
253 |
2429 |
|
|
30 |
B1 |
871 |
858 |
0.985 |
253 |
2430 |
|
|
31 |
B1 |
736 |
727 |
0.988 |
253 |
2431 |
|
|
32 |
B1 |
238 |
215 |
0.905 |
253 |
2432 |
|
|
33 |
B1 |
115 |
88 |
0.762 |
253 |
2433 |
|
|
34 |
B2 |
3083 |
2965 |
0.962 |
253 |
2434 |
|
|
35 |
B2 |
3020 |
2879 |
0.953 |
253 |
2435 |
|
|
36 |
B2 |
3005 |
2866 |
0.954 |
253 |
2436 |
|
|
37 |
B2 |
1508 |
1476 |
0.979 |
253 |
2437 |
|
|
38 |
B2 |
1491 |
1456 |
0.976 |
253 |
2438 |
|
|
39 |
B2 |
1416 |
1389 |
0.981 |
253 |
2439 |
|
|
40 |
B2 |
1399 |
1379 |
0.986 |
253 |
2440 |
|
|
41 |
B2 |
1300 |
1269 |
0.977 |
253 |
2441 |
|
|
42 |
B2 |
1074 |
1073 |
0.999 |
253 |
2442 |
|
|
43 |
B2 |
1039 |
1024 |
0.986 |
253 |
2443 |
|
|
44 |
B2 |
924 |
910 |
0.985 |
253 |
2444 |
|
|
45 |
B2 |
396 |
406 |
1.026 |
253 |
2445 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3026 |
2909 |
0.961 |
254 |
2446 |
|
|
2 |
A1 |
1440 |
1381 |
0.959 |
254 |
2447 |
|
|
3 |
A1 |
729 |
733 |
1.006 |
254 |
2448 |
|
|
4 |
A2 |
245 |
198 |
0.809 |
254 |
2449 |
|
|
5 |
E |
3078 |
2955 |
0.960 |
254 |
2450 |
|
|
6 |
E |
1497 |
1451 |
0.970 |
254 |
2451 |
|
|
7 |
E |
1096 |
999 |
0.911 |
254 |
2452 |
|
|
8 |
E |
336 |
335 |
0.996 |
254 |
2453 |
|
|
9 |
T1 |
3077 |
2975 |
0.967 |
254 |
2454 |
|
|
10 |
T1 |
1489 |
1461 |
0.981 |
254 |
2455 |
|
|
11 |
T1 |
969 |
932 |
0.962 |
254 |
2456 |
|
|
12 |
T1 |
310 |
203 |
0.654 |
254 |
2457 |
|
|
13 |
T2 |
3083 |
2959 |
0.960 |
254 |
2458 |
|
|
14 |
T2 |
3017 |
2876 |
0.953 |
254 |
2459 |
|
|
15 |
T2 |
1524 |
1475 |
0.968 |
254 |
2460 |
|
|
16 |
T2 |
1402 |
1372 |
0.978 |
254 |
2461 |
|
|
17 |
T2 |
1277 |
1256 |
0.984 |
254 |
2462 |
|
|
18 |
T2 |
931 |
925 |
0.993 |
254 |
2463 |
|
|
19 |
T2 |
424 |
418 |
0.985 |
254 |
2464 |
C5H11N |
Piperidine |
1 |
A' |
3526 |
3341 |
0.947 |
255 |
2465 |
|
|
2 |
A' |
3065 |
2947 |
0.962 |
255 |
2466 |
|
|
3 |
A' |
3056 |
2931 |
0.959 |
255 |
2467 |
|
|
4 |
A' |
3051 |
2917 |
0.956 |
255 |
2468 |
|
|
5 |
A' |
3021 |
2892 |
0.957 |
255 |
2469 |
|
|
6 |
A' |
3004 |
2850 |
0.949 |
255 |
2470 |
|
|
7 |
A' |
2893 |
2730 |
0.944 |
255 |
2471 |
|
|
8 |
A' |
1510 |
1476 |
0.978 |
255 |
2472 |
|
|
9 |
A' |
1496 |
1452 |
0.971 |
255 |
2473 |
|
|
10 |
A' |
1489 |
1444 |
0.970 |
255 |
2474 |
|
|
11 |
A' |
1422 |
1386 |
0.974 |
255 |
2475 |
|
|
12 |
A' |
1383 |
1365 |
0.987 |
255 |
2476 |
|
|
13 |
A' |
1314 |
1346 |
1.025 |
255 |
2477 |
|
|
14 |
A' |
1290 |
1266 |
0.982 |
255 |
2478 |
|
|
15 |
A' |
1170 |
1164 |
0.995 |
255 |
2479 |
|
|
16 |
A' |
1065 |
1035 |
0.972 |
255 |
2480 |
|
|
17 |
A' |
1049 |
1006 |
0.959 |
255 |
2481 |
|
|
18 |
A' |
906 |
906 |
1.000 |
255 |
2482 |
|
|
19 |
A' |
870 |
853 |
0.980 |
255 |
2483 |
|
|
20 |
A' |
818 |
822 |
1.005 |
255 |
2484 |
|
|
21 |
A' |
758 |
743 |
0.980 |
255 |
2485 |
|
|
22 |
A' |
546 |
546 |
1.000 |
255 |
2486 |
|
|
23 |
A' |
436 |
432 |
0.992 |
255 |
2487 |
|
|
24 |
A' |
392 |
404 |
1.030 |
255 |
2488 |
|
|
25 |
A' |
244 |
246 |
1.010 |
255 |
2489 |
|
|
26 |
A" |
3059 |
2940 |
0.961 |
255 |
2490 |
|
|
27 |
A" |
3054 |
2902 |
0.950 |
255 |
2491 |
|
|
28 |
A" |
3022 |
2850 |
0.943 |
255 |
2492 |
|
|
29 |
A" |
2887 |
2803 |
0.971 |
255 |
2493 |
|
|
30 |
A" |
1498 |
1468 |
0.980 |
255 |
2494 |
|
|
31 |
A" |
1489 |
1460 |
0.981 |
255 |
2495 |
|
|
32 |
A" |
1478 |
1436 |
0.971 |
255 |
2496 |
|
|
33 |
A" |
1378 |
1332 |
0.967 |
255 |
2497 |
|
|
34 |
A" |
1367 |
1318 |
0.964 |
255 |
2498 |
|
|
35 |
A" |
1349 |
1285 |
0.953 |
255 |
2499 |
|
|
36 |
A" |
1296 |
1258 |
0.971 |
255 |
2500 |
|
|
37 |
A" |
1185 |
1191 |
1.005 |
255 |
2501 |
|
|
38 |
A" |
1171 |
1146 |
0.979 |
255 |
2502 |
|
|
39 |
A" |
1128 |
1115 |
0.988 |
255 |
2503 |
|
|
40 |
A" |
1063 |
1052 |
0.989 |
255 |
2504 |
|
|
41 |
A" |
982 |
964 |
0.981 |
255 |
2505 |
|
|
42 |
A" |
879 |
874 |
0.995 |
255 |
2506 |
|
|
43 |
A" |
821 |
810 |
0.986 |
255 |
2507 |
|
|
44 |
A" |
453 |
445 |
0.982 |
255 |
2508 |
|
|
45 |
A" |
243 |
254 |
1.045 |
255 |
2509 |
C6H14 |
Hexane |
1 |
Ag |
3083 |
2966 |
0.962 |
256 |
2510 |
|
|
2 |
Ag |
3021 |
2877 |
0.952 |
256 |
2511 |
|
|
3 |
Ag |
3008 |
2863 |
0.952 |
256 |
2512 |
|
|
4 |
Ag |
2992 |
2852 |
0.953 |
256 |
2513 |
|
|
5 |
Ag |
1511 |
1460 |
0.967 |
256 |
2514 |
|
|
6 |
Ag |
1494 |
1460 |
0.977 |
256 |
2515 |
|
|
7 |
Ag |
1487 |
1440 |
0.968 |
256 |
2516 |
|
|
8 |
Ag |
1417 |
1397 |
0.986 |
256 |
2517 |
|
|
9 |
Ag |
1400 |
1366 |
0.976 |
256 |
2518 |
|
|
10 |
Ag |
1345 |
1305 |
0.970 |
256 |
2519 |
|
|
11 |
Ag |
1160 |
1140 |
0.983 |
256 |
2520 |
|
|
12 |
Ag |
1070 |
1065 |
0.995 |
256 |
2521 |
|
|
13 |
Ag |
1009 |
1007 |
0.998 |
256 |
2522 |
|
|
14 |
Ag |
907 |
901 |
0.993 |
256 |
2523 |
|
|
15 |
Ag |
365 |
371 |
1.015 |
256 |
2524 |
|
|
16 |
Ag |
295 |
305 |
1.035 |
256 |
2525 |
|
|
17 |
Au |
3080 |
2967 |
0.963 |
256 |
2526 |
|
|
18 |
Au |
3049 |
2936 |
0.963 |
256 |
2527 |
|
|
19 |
Au |
3019 |
2920 |
0.967 |
256 |
2528 |
|
|
20 |
Au |
1502 |
1460 |
0.972 |
256 |
2529 |
|
|
21 |
Au |
1337 |
1303 |
0.974 |
256 |
2530 |
|
|
22 |
Au |
1257 |
1222 |
0.972 |
256 |
2531 |
|
|
23 |
Au |
1019 |
1010 |
0.991 |
256 |
2532 |
|
|
24 |
Au |
809 |
824 |
1.018 |
256 |
2533 |
|
|
25 |
Au |
733 |
726 |
0.990 |
256 |
2534 |
|
|
26 |
Au |
251 |
216 |
0.861 |
256 |
2535 |
|
|
27 |
Au |
101 |
94 |
0.935 |
256 |
2536 |
|
|
28 |
Au |
71 |
61 |
0.864 |
256 |
2537 |
|
|
29 |
Bg |
3079 |
2966 |
0.963 |
256 |
2538 |
|
|
30 |
Bg |
3036 |
2908 |
0.958 |
256 |
2539 |
|
|
31 |
Bg |
3008 |
2908 |
0.967 |
256 |
2540 |
|
|
32 |
Bg |
1502 |
1460 |
0.972 |
256 |
2541 |
|
|
33 |
Bg |
1335 |
1305 |
0.977 |
256 |
2542 |
|
|
34 |
Bg |
1310 |
1283 |
0.979 |
256 |
2543 |
|
|
35 |
Bg |
1210 |
1168 |
0.965 |
256 |
2544 |
|
|
36 |
Bg |
910 |
894 |
0.982 |
256 |
2545 |
|
|
37 |
Bg |
748 |
740 |
0.989 |
256 |
2546 |
|
|
38 |
Bg |
240 |
208 |
0.867 |
256 |
2547 |
|
|
39 |
Bg |
146 |
125 |
0.857 |
256 |
2548 |
|
|
40 |
Bu |
3084 |
2967 |
0.962 |
256 |
2549 |
|
|
41 |
Bu |
3021 |
2884 |
0.955 |
256 |
2550 |
|
|
42 |
Bu |
3013 |
2867 |
0.952 |
256 |
2551 |
|
|
43 |
Bu |
2996 |
2851 |
0.952 |
256 |
2552 |
|
|
44 |
Bu |
1517 |
1476 |
0.973 |
256 |
2553 |
|
|
45 |
Bu |
1502 |
1465 |
0.976 |
256 |
2554 |
|
|
46 |
Bu |
1488 |
1452 |
0.976 |
256 |
2555 |
|
|
47 |
Bu |
1414 |
1387 |
0.981 |
256 |
2556 |
|
|
48 |
Bu |
1390 |
1375 |
0.989 |
256 |
2557 |
|
|
49 |
Bu |
1280 |
1249 |
0.975 |
256 |
2558 |
|
|
50 |
Bu |
1078 |
1061 |
0.985 |
256 |
2559 |
|
|
51 |
Bu |
1051 |
1035 |
0.985 |
256 |
2560 |
|
|
52 |
Bu |
888 |
888 |
1.000 |
256 |
2561 |
|
|
53 |
Bu |
464 |
470 |
1.012 |
256 |
2562 |
|
|
54 |
Bu |
132 |
139 |
1.057 |
256 |
2563 |