H2 |
Hydrogen diatomic |
1 |
Σg |
4471 |
4161 |
0.931 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1369 |
1360 |
0.993 |
2 |
2 |
NaH |
sodium hydride |
1 |
Σ |
1164 |
1133 |
0.973 |
3 |
3 |
CH |
Methylidyne |
1 |
Σ |
2743 |
2733 |
0.996 |
4 |
4 |
|
|
1 |
Σ |
3187 |
|
|
4 |
5 |
CN |
Cyano radical |
1 |
Σ |
2114 |
2042 |
0.966 |
5 |
6 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2393 |
2330 |
0.974 |
6 |
7 |
|
|
1 |
Σg |
1781 |
1733 |
0.973 |
6 |
8 |
OH |
Hydroxyl radical |
1 |
Σ |
3549 |
3570 |
1.006 |
7 |
9 |
BeO |
beryllium oxide |
1 |
Σ |
1483 |
1435 |
0.967 |
8 |
10 |
CO |
Carbon monoxide |
1 |
Σ |
2095 |
2143 |
1.023 |
9 |
11 |
|
|
1 |
Σ |
1701 |
|
|
9 |
12 |
MgO |
magnesium oxide |
1 |
Σ |
791 |
775 |
0.979 |
10 |
13 |
CS |
carbon monosulfide |
1 |
Σ |
1201 |
1272 |
1.059 |
11 |
14 |
HF |
Hydrogen fluoride |
1 |
Σ |
3824 |
3961 |
1.036 |
12 |
15 |
CF |
Fluoromethylidyne |
1 |
Σ |
1182 |
1286 |
1.088 |
13 |
16 |
F2 |
Fluorine diatomic |
1 |
Σg |
1023 |
894 |
0.874 |
14 |
17 |
NaF |
sodium fluoride |
1 |
Σ |
546 |
529 |
0.969 |
15 |
18 |
HCl |
Hydrogen chloride |
1 |
Σ |
2790 |
2886 |
1.034 |
16 |
19 |
LiCl |
lithium chloride |
1 |
Σ |
594 |
634 |
1.067 |
17 |
20 |
CCl |
carbon monochloride |
1 |
Σ |
740 |
866 |
1.171 |
18 |
21 |
NaCl |
Sodium Chloride |
1 |
Σ |
341 |
361 |
1.058 |
19 |
22 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
487 |
554 |
1.139 |
20 |
23 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1614 |
1572 |
0.974 |
21 |
24 |
|
|
3 |
Πu |
470 |
440 |
0.935 |
21 |
25 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3530 |
3312 |
0.938 |
22 |
26 |
|
|
2 |
Σ |
2175 |
2089 |
0.961 |
22 |
27 |
|
|
3 |
Π |
792 |
712 |
0.899 |
22 |
28 |
HNC |
hydrogen isocyanide |
1 |
Σ |
3890 |
3653 |
0.939 |
23 |
29 |
|
|
2 |
Σ |
2077 |
2029 |
0.977 |
23 |
30 |
|
|
3 |
Π |
605 |
477 |
0.789 |
23 |
31 |
HCP |
Phosphaethyne |
1 |
Σ |
3425 |
3217 |
0.939 |
24 |
32 |
|
|
2 |
Σ |
1285 |
1278 |
0.995 |
24 |
33 |
|
|
3 |
Π |
709 |
674 |
0.951 |
24 |
34 |
H2O |
Water |
1 |
A1 |
3692 |
3657 |
0.990 |
25 |
35 |
|
|
2 |
A1 |
1632 |
1595 |
0.977 |
25 |
36 |
|
|
3 |
B2 |
3860 |
3756 |
0.973 |
25 |
37 |
LiOH |
lithium hydroxide |
1 |
Σ |
3957 |
3688 |
0.932 |
26 |
38 |
|
|
2 |
Σ |
1035 |
871 |
0.841 |
26 |
39 |
|
|
3 |
Π |
437 |
257 |
0.587 |
26 |
40 |
HCO |
Formyl radical |
1 |
A' |
2827 |
2434 |
0.861 |
27 |
41 |
|
|
2 |
A' |
1860 |
1868 |
1.005 |
27 |
42 |
|
|
3 |
A' |
1137 |
1081 |
0.951 |
27 |
43 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3521 |
3436 |
0.976 |
28 |
44 |
|
|
2 |
A' |
1410 |
1392 |
0.987 |
28 |
45 |
|
|
3 |
A' |
1045 |
1098 |
1.051 |
28 |
46 |
CO2 |
Carbon dioxide |
1 |
Σg |
1306 |
1333 |
1.021 |
29 |
47 |
|
|
2 |
Σu |
2325 |
2349 |
1.010 |
29 |
48 |
|
|
3 |
Πu |
578 |
667 |
1.154 |
29 |
49 |
NaOH |
sodium hydroxide |
1 |
Σ |
3868 |
3637 |
0.940 |
30 |
50 |
|
|
2 |
Σ |
611 |
540 |
0.883 |
30 |
51 |
|
|
3 |
Π |
276 |
300 |
1.088 |
30 |
52 |
SiO2 |
silicon dioxide |
2 |
Σu |
1285 |
1416 |
1.103 |
31 |
53 |
|
|
3 |
Πu |
188 |
273 |
1.453 |
31 |
54 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2555 |
2615 |
1.024 |
32 |
55 |
|
|
2 |
A1 |
1201 |
1183 |
0.985 |
32 |
56 |
|
|
3 |
B2 |
2593 |
2626 |
1.013 |
32 |
57 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2061 |
2062 |
1.001 |
33 |
58 |
|
|
2 |
Σ |
818 |
859 |
1.050 |
33 |
59 |
|
|
3 |
Π |
466 |
520 |
1.115 |
33 |
60 |
SO2 |
Sulfur dioxide |
1 |
A1 |
935 |
1151 |
1.231 |
34 |
61 |
|
|
2 |
A1 |
400 |
518 |
1.293 |
34 |
62 |
|
|
3 |
B2 |
1044 |
1362 |
1.305 |
34 |
63 |
CS2 |
Carbon disulfide |
1 |
Σg |
634 |
658 |
1.038 |
35 |
64 |
|
|
2 |
Σu |
1526 |
1535 |
1.006 |
35 |
65 |
|
|
3 |
Πu |
372 |
397 |
1.067 |
35 |
66 |
CF2 |
Difluoromethylene |
1 |
A1 |
1143 |
1225 |
1.072 |
36 |
67 |
|
|
2 |
A1 |
593 |
667 |
1.124 |
36 |
68 |
|
|
3 |
B2 |
1072 |
1114 |
1.040 |
36 |
69 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1016 |
1075 |
1.058 |
37 |
70 |
|
|
2 |
A1 |
502 |
573 |
1.143 |
37 |
71 |
|
|
3 |
B2 |
905 |
942 |
1.041 |
37 |
72 |
F2O |
Difluorine monoxide |
1 |
A1 |
951 |
928 |
0.976 |
38 |
73 |
|
|
2 |
A1 |
418 |
461 |
1.104 |
38 |
74 |
|
|
3 |
B2 |
877 |
831 |
0.948 |
38 |
75 |
ClCN |
chlorocyanogen |
1 |
Σ |
2306 |
2216 |
0.961 |
39 |
76 |
|
|
2 |
Σ |
700 |
744 |
1.062 |
39 |
77 |
|
|
3 |
Π |
392 |
378 |
0.964 |
39 |
78 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1826 |
1800 |
0.986 |
40 |
79 |
|
|
2 |
A' |
603 |
596 |
0.987 |
40 |
80 |
|
|
3 |
A' |
354 |
332 |
0.937 |
40 |
81 |
CCl2 |
dichloromethylene |
1 |
A1 |
672 |
730 |
1.087 |
41 |
82 |
|
|
2 |
A1 |
296 |
335 |
1.132 |
41 |
83 |
|
|
3 |
B2 |
639 |
758 |
1.186 |
41 |
84 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1875 |
1900 |
1.013 |
42 |
85 |
|
|
2 |
A2" |
684 |
698 |
1.020 |
42 |
86 |
|
|
3 |
E' |
1898 |
1883 |
0.992 |
42 |
87 |
|
|
4 |
E' |
739 |
783 |
1.060 |
42 |
88 |
C2H2 |
Acetylene |
1 |
Σg |
3587 |
3374 |
0.941 |
43 |
89 |
|
|
2 |
Σg |
2086 |
1974 |
0.947 |
43 |
90 |
|
|
3 |
Σu |
3477 |
3289 |
0.946 |
43 |
91 |
|
|
4 |
Πg |
694 |
612 |
0.881 |
43 |
92 |
|
|
5 |
Πu |
798 |
730 |
0.915 |
43 |
93 |
NH3 |
Ammonia |
1 |
A1 |
3635 |
3337 |
0.918 |
44 |
94 |
|
|
2 |
A1 |
407 |
950 |
2.336 |
44 |
95 |
|
|
3 |
E |
3846 |
3444 |
0.895 |
44 |
96 |
|
|
4 |
E |
1687 |
1627 |
0.965 |
44 |
97 |
C2N2 |
Cyanogen |
1 |
Σg |
2459 |
2330 |
0.948 |
45 |
98 |
|
|
2 |
Σg |
904 |
846 |
0.936 |
45 |
99 |
|
|
3 |
Σu |
2243 |
2158 |
0.962 |
45 |
100 |
|
|
4 |
Πg |
581 |
503 |
0.866 |
45 |
101 |
|
|
5 |
Πu |
239 |
234 |
0.978 |
45 |
102 |
H2CO |
Formaldehyde |
1 |
A1 |
3002 |
2782 |
0.927 |
46 |
103 |
|
|
2 |
A1 |
1774 |
1746 |
0.984 |
46 |
104 |
|
|
3 |
A1 |
1573 |
1500 |
0.954 |
46 |
105 |
|
|
4 |
B1 |
1215 |
1167 |
0.960 |
46 |
106 |
|
|
5 |
B2 |
3079 |
2843 |
0.924 |
46 |
107 |
|
|
6 |
B2 |
1284 |
1249 |
0.973 |
46 |
108 |
HNCO |
Isocyanic acid |
1 |
A' |
3890 |
3538 |
0.910 |
47 |
109 |
|
|
2 |
A' |
2377 |
2269 |
0.955 |
47 |
110 |
|
|
3 |
A' |
1323 |
1327 |
1.003 |
47 |
111 |
|
|
4 |
A' |
572 |
777 |
1.358 |
47 |
112 |
|
|
5 |
A' |
497 |
577 |
1.161 |
47 |
113 |
|
|
6 |
A" |
572 |
656 |
1.148 |
47 |
114 |
HNO2 |
Nitrous acid |
1 |
A' |
3677 |
3591 |
0.977 |
48 |
115 |
|
|
2 |
A' |
1702 |
1700 |
0.999 |
48 |
116 |
|
|
3 |
A' |
1261 |
1263 |
1.002 |
48 |
117 |
|
|
4 |
A' |
785 |
790 |
1.006 |
48 |
118 |
|
|
5 |
A' |
591 |
596 |
1.008 |
48 |
119 |
|
|
6 |
A" |
582 |
543 |
0.932 |
48 |
120 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3155 |
2971 |
0.942 |
49 |
121 |
|
|
2 |
A1 |
1542 |
1456 |
0.944 |
49 |
122 |
|
|
3 |
A1 |
1054 |
1059 |
1.005 |
49 |
123 |
|
|
4 |
B1 |
1056 |
990 |
0.937 |
49 |
124 |
|
|
5 |
B2 |
3261 |
3025 |
0.927 |
49 |
125 |
|
|
6 |
B2 |
1047 |
991 |
0.947 |
49 |
126 |
SO3 |
Sulfur trioxide |
1 |
A1' |
800 |
1065 |
1.331 |
50 |
127 |
|
|
2 |
A2" |
296 |
498 |
1.682 |
50 |
128 |
|
|
3 |
E' |
1024 |
1391 |
1.359 |
50 |
129 |
|
|
4 |
E' |
356 |
530 |
1.490 |
50 |
130 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1927 |
1928 |
1.001 |
51 |
131 |
|
|
2 |
A1 |
930 |
965 |
1.038 |
51 |
132 |
|
|
3 |
A1 |
532 |
584 |
1.098 |
51 |
133 |
|
|
4 |
B1 |
712 |
774 |
1.088 |
51 |
134 |
|
|
5 |
B2 |
1233 |
1249 |
1.013 |
51 |
135 |
|
|
6 |
B2 |
592 |
626 |
1.058 |
51 |
136 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
832 |
888 |
1.067 |
52 |
137 |
|
|
2 |
A2" |
633 |
691 |
1.092 |
52 |
138 |
|
|
3 |
E' |
1430 |
1449 |
1.013 |
52 |
139 |
|
|
4 |
E' |
443 |
480 |
1.085 |
52 |
140 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1018 |
1089 |
1.069 |
53 |
141 |
|
|
2 |
A1 |
646 |
701 |
1.084 |
53 |
142 |
|
|
3 |
E |
1253 |
1260 |
1.005 |
53 |
143 |
|
|
4 |
E |
461 |
509 |
1.103 |
53 |
144 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
962 |
1032 |
1.073 |
54 |
145 |
|
|
2 |
A1 |
581 |
647 |
1.114 |
54 |
146 |
|
|
3 |
E |
870 |
907 |
1.042 |
54 |
147 |
|
|
4 |
E |
429 |
492 |
1.147 |
54 |
148 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
655 |
690 |
1.054 |
55 |
149 |
|
|
2 |
A2" |
269 |
297 |
1.104 |
55 |
150 |
|
|
3 |
E' |
937 |
935 |
0.998 |
55 |
151 |
|
|
4 |
E' |
253 |
263 |
1.039 |
55 |
152 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
804 |
892 |
1.109 |
56 |
153 |
|
|
2 |
A1 |
371 |
487 |
1.312 |
56 |
154 |
|
|
3 |
E |
806 |
860 |
1.067 |
56 |
155 |
|
|
4 |
E |
261 |
344 |
1.316 |
56 |
156 |
C2Cl2 |
dichloroacetylene |
4 |
Πg |
414 |
333 |
0.804 |
57 |
157 |
|
|
5 |
Πu |
175 |
172 |
0.981 |
57 |
158 |
CCl2O |
Phosgene |
1 |
A1 |
1840 |
1827 |
0.993 |
58 |
159 |
|
|
2 |
A1 |
532 |
567 |
1.065 |
58 |
160 |
|
|
3 |
A1 |
291 |
285 |
0.980 |
58 |
161 |
|
|
4 |
B1 |
561 |
580 |
1.033 |
58 |
162 |
|
|
5 |
B2 |
796 |
849 |
1.066 |
58 |
163 |
|
|
6 |
B2 |
430 |
440 |
1.023 |
58 |
164 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
342 |
375 |
1.098 |
59 |
165 |
|
|
2 |
A2" |
178 |
183 |
1.028 |
59 |
166 |
|
|
3 |
E' |
576 |
595 |
1.034 |
59 |
167 |
|
|
4 |
E' |
131 |
150 |
1.146 |
59 |
168 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
443 |
504 |
1.138 |
60 |
169 |
|
|
2 |
A1 |
208 |
252 |
1.214 |
60 |
170 |
|
|
3 |
E |
440 |
482 |
1.095 |
60 |
171 |
|
|
4 |
E |
150 |
198 |
1.318 |
60 |
172 |
CH4 |
Methane |
1 |
A1 |
3070 |
2917 |
0.950 |
61 |
173 |
|
|
2 |
E |
1610 |
1534 |
0.953 |
61 |
174 |
|
|
3 |
T2 |
3208 |
3019 |
0.941 |
61 |
175 |
|
|
4 |
T2 |
1408 |
1306 |
0.928 |
61 |
176 |
CH2NH |
Methanimine |
1 |
A' |
3424 |
3263 |
0.953 |
62 |
177 |
|
|
2 |
A' |
3211 |
3024 |
0.942 |
62 |
178 |
|
|
3 |
A' |
3080 |
2914 |
0.946 |
62 |
179 |
|
|
4 |
A' |
1733 |
1638 |
0.945 |
62 |
180 |
|
|
5 |
A' |
1539 |
1452 |
0.943 |
62 |
181 |
|
|
6 |
A' |
1369 |
1344 |
0.982 |
62 |
182 |
|
|
7 |
A' |
1087 |
1058 |
0.974 |
62 |
183 |
|
|
8 |
A" |
1190 |
1127 |
0.947 |
62 |
184 |
|
|
9 |
A" |
1128 |
1061 |
0.940 |
62 |
185 |
CH2CO |
Ketene |
1 |
A1 |
3243 |
3070 |
0.947 |
63 |
186 |
|
|
2 |
A1 |
2198 |
2152 |
0.979 |
63 |
187 |
|
|
3 |
A1 |
1452 |
1388 |
0.956 |
63 |
188 |
|
|
4 |
A1 |
1180 |
1118 |
0.948 |
63 |
189 |
|
|
5 |
B1 |
745 |
588 |
0.789 |
63 |
190 |
|
|
6 |
B1 |
520 |
528 |
1.015 |
63 |
191 |
|
|
7 |
B2 |
3341 |
3166 |
0.948 |
63 |
192 |
|
|
8 |
B2 |
1034 |
977 |
0.945 |
63 |
193 |
|
|
9 |
B2 |
436 |
433 |
0.993 |
63 |
194 |
HCOOH |
Formic acid |
1 |
A' |
3654 |
3570 |
0.977 |
64 |
195 |
|
|
2 |
A' |
3192 |
2943 |
0.922 |
64 |
196 |
|
|
3 |
A' |
1768 |
1770 |
1.001 |
64 |
197 |
|
|
4 |
A' |
1424 |
1387 |
0.974 |
64 |
198 |
|
|
5 |
A' |
1315 |
1229 |
0.935 |
64 |
199 |
|
|
6 |
A' |
1103 |
1105 |
1.002 |
64 |
200 |
|
|
7 |
A' |
613 |
625 |
1.019 |
64 |
201 |
|
|
8 |
A" |
1063 |
1033 |
0.972 |
64 |
202 |
|
|
9 |
A" |
693 |
638 |
0.920 |
64 |
203 |
HNO3 |
Nitric acid |
1 |
A' |
3614 |
3550 |
0.982 |
65 |
204 |
|
|
2 |
A' |
1702 |
1708 |
1.003 |
65 |
205 |
|
|
3 |
A' |
1313 |
1331 |
1.014 |
65 |
206 |
|
|
4 |
A' |
1284 |
1325 |
1.032 |
65 |
207 |
|
|
5 |
A' |
861 |
879 |
1.021 |
65 |
208 |
|
|
6 |
A' |
634 |
647 |
1.021 |
65 |
209 |
|
|
7 |
A' |
559 |
579 |
1.035 |
65 |
210 |
|
|
8 |
A" |
736 |
762 |
1.036 |
65 |
211 |
|
|
9 |
A" |
478 |
456 |
0.954 |
65 |
212 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2225 |
2196 |
0.987 |
66 |
213 |
|
|
2 |
Σg |
781 |
786 |
1.007 |
66 |
214 |
|
|
3 |
Σu |
2442 |
2258 |
0.925 |
66 |
215 |
|
|
4 |
Σu |
1599 |
1573 |
0.984 |
66 |
216 |
|
|
5 |
Πg |
540 |
573 |
1.061 |
66 |
217 |
|
|
6 |
Πu |
582 |
550 |
0.945 |
66 |
218 |
|
|
7 |
Πu |
144 |
61 |
0.424 |
66 |
219 |
CH3F |
Methyl fluoride |
1 |
A1 |
3089 |
2930 |
0.949 |
67 |
220 |
|
|
2 |
A1 |
1525 |
1464 |
0.960 |
67 |
221 |
|
|
3 |
A1 |
1039 |
1049 |
1.010 |
67 |
222 |
|
|
4 |
E |
3192 |
3006 |
0.942 |
67 |
223 |
|
|
5 |
E |
1542 |
1467 |
0.951 |
67 |
224 |
|
|
6 |
E |
1175 |
1182 |
1.006 |
67 |
225 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3139 |
2948 |
0.939 |
68 |
226 |
|
|
2 |
A1 |
1569 |
1508 |
0.961 |
68 |
227 |
|
|
3 |
A1 |
1076 |
1111 |
1.033 |
68 |
228 |
|
|
4 |
A1 |
482 |
529 |
1.097 |
68 |
229 |
|
|
5 |
A2 |
1259 |
1262 |
1.002 |
68 |
230 |
|
|
6 |
B1 |
3228 |
3014 |
0.934 |
68 |
231 |
|
|
7 |
B1 |
1154 |
1178 |
1.021 |
68 |
232 |
|
|
8 |
B2 |
1478 |
1435 |
0.971 |
68 |
233 |
|
|
9 |
B2 |
1098 |
1090 |
0.993 |
68 |
234 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3242 |
3036 |
0.936 |
69 |
235 |
|
|
2 |
A1 |
1096 |
1117 |
1.019 |
69 |
236 |
|
|
3 |
A1 |
650 |
700 |
1.077 |
69 |
237 |
|
|
4 |
E |
1401 |
1372 |
0.979 |
69 |
238 |
|
|
5 |
E |
1159 |
1152 |
0.994 |
69 |
239 |
|
|
6 |
E |
463 |
507 |
1.096 |
69 |
240 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
864 |
909 |
1.051 |
70 |
241 |
|
|
2 |
E |
392 |
435 |
1.110 |
70 |
242 |
|
|
3 |
T2 |
1286 |
1283 |
0.998 |
70 |
243 |
|
|
4 |
T2 |
580 |
631 |
1.088 |
70 |
244 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
702 |
800 |
1.140 |
71 |
245 |
|
|
2 |
E |
215 |
268 |
1.249 |
71 |
246 |
|
|
3 |
T2 |
976 |
1032 |
1.058 |
71 |
247 |
|
|
4 |
T2 |
327 |
389 |
1.189 |
71 |
248 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3138 |
2966 |
0.945 |
72 |
249 |
|
|
2 |
A1 |
1422 |
1355 |
0.953 |
72 |
250 |
|
|
3 |
A1 |
684 |
732 |
1.070 |
72 |
251 |
|
|
4 |
E |
3267 |
3042 |
0.931 |
72 |
252 |
|
|
5 |
E |
1526 |
1455 |
0.953 |
72 |
253 |
|
|
6 |
E |
1047 |
1015 |
0.970 |
72 |
254 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3202 |
2999 |
0.936 |
73 |
255 |
|
|
2 |
A1 |
1491 |
1467 |
0.984 |
73 |
256 |
|
|
3 |
A1 |
675 |
717 |
1.062 |
73 |
257 |
|
|
4 |
A1 |
274 |
282 |
1.029 |
73 |
258 |
|
|
5 |
A2 |
1197 |
1153 |
0.963 |
73 |
259 |
|
|
6 |
B1 |
3306 |
3040 |
0.919 |
73 |
260 |
|
|
7 |
B1 |
910 |
898 |
0.987 |
73 |
261 |
|
|
8 |
B2 |
1327 |
1268 |
0.956 |
73 |
262 |
|
|
9 |
B2 |
708 |
758 |
1.071 |
73 |
263 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1071 |
1105 |
1.032 |
74 |
264 |
|
|
2 |
A1 |
727 |
781 |
1.075 |
74 |
265 |
|
|
3 |
A1 |
443 |
476 |
1.074 |
74 |
266 |
|
|
4 |
E |
1233 |
1212 |
0.983 |
74 |
267 |
|
|
5 |
E |
515 |
563 |
1.094 |
74 |
268 |
|
|
6 |
E |
324 |
350 |
1.082 |
74 |
269 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2244 |
2224 |
0.991 |
75 |
270 |
|
|
2 |
A1 |
897 |
954 |
1.064 |
75 |
271 |
|
|
3 |
A1 |
466 |
527 |
1.131 |
75 |
272 |
|
|
4 |
A1 |
161 |
188 |
1.166 |
75 |
273 |
|
|
5 |
A2 |
669 |
710 |
1.061 |
75 |
274 |
|
|
6 |
B1 |
2281 |
2237 |
0.981 |
75 |
275 |
|
|
7 |
B1 |
543 |
602 |
1.108 |
75 |
276 |
|
|
8 |
B2 |
829 |
876 |
1.056 |
75 |
277 |
|
|
9 |
B2 |
528 |
590 |
1.118 |
75 |
278 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
700 |
1061 |
1.517 |
76 |
279 |
|
|
2 |
A1 |
553 |
715 |
1.292 |
76 |
280 |
|
|
3 |
A1 |
302 |
549 |
1.817 |
76 |
281 |
|
|
4 |
E |
808 |
1315 |
1.626 |
76 |
282 |
|
|
5 |
E |
318 |
589 |
1.853 |
76 |
283 |
|
|
6 |
E |
206 |
405 |
1.963 |
76 |
284 |
CHCl3 |
Chloroform |
1 |
A1 |
3270 |
3034 |
0.928 |
77 |
285 |
|
|
2 |
A1 |
639 |
680 |
1.064 |
77 |
286 |
|
|
3 |
A1 |
356 |
366 |
1.029 |
77 |
287 |
|
|
4 |
E |
1260 |
1220 |
0.968 |
77 |
288 |
|
|
5 |
E |
723 |
774 |
1.071 |
77 |
289 |
|
|
6 |
E |
254 |
260 |
1.024 |
77 |
290 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1093 |
1101 |
1.007 |
78 |
291 |
|
|
2 |
A1 |
613 |
667 |
1.088 |
78 |
292 |
|
|
3 |
A1 |
423 |
458 |
1.084 |
78 |
293 |
|
|
4 |
A1 |
249 |
262 |
1.052 |
78 |
294 |
|
|
5 |
A2 |
304 |
322 |
1.060 |
78 |
295 |
|
|
6 |
B1 |
845 |
902 |
1.067 |
78 |
296 |
|
|
7 |
B1 |
411 |
437 |
1.064 |
78 |
297 |
|
|
8 |
B2 |
1186 |
1159 |
0.977 |
78 |
298 |
|
|
9 |
B2 |
408 |
446 |
1.094 |
78 |
299 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1094 |
1085 |
0.992 |
79 |
300 |
|
|
2 |
A1 |
494 |
535 |
1.082 |
79 |
301 |
|
|
3 |
A1 |
338 |
350 |
1.037 |
79 |
302 |
|
|
4 |
E |
788 |
847 |
1.074 |
79 |
303 |
|
|
5 |
E |
379 |
394 |
1.041 |
79 |
304 |
|
|
6 |
E |
236 |
241 |
1.022 |
79 |
305 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
433 |
459 |
1.060 |
80 |
306 |
|
|
2 |
E |
212 |
217 |
1.022 |
80 |
307 |
|
|
3 |
T2 |
734 |
776 |
1.058 |
80 |
308 |
|
|
4 |
T2 |
310 |
314 |
1.014 |
80 |
309 |
C2H4 |
Ethylene |
1 |
Ag |
3202 |
3026 |
0.945 |
81 |
310 |
|
|
2 |
Ag |
1729 |
1623 |
0.938 |
81 |
311 |
|
|
3 |
Ag |
1424 |
1342 |
0.942 |
81 |
312 |
|
|
4 |
Au |
1081 |
1023 |
0.946 |
81 |
313 |
|
|
5 |
B1u |
3181 |
2989 |
0.939 |
81 |
314 |
|
|
6 |
B1u |
1522 |
1444 |
0.949 |
81 |
315 |
|
|
7 |
B2g |
1020 |
940 |
0.921 |
81 |
316 |
|
|
8 |
B2u |
3293 |
3105 |
0.943 |
81 |
317 |
|
|
9 |
B2u |
863 |
826 |
0.957 |
81 |
318 |
|
|
10 |
B3g |
3264 |
3086 |
0.946 |
81 |
319 |
|
|
11 |
B3g |
1275 |
1217 |
0.955 |
81 |
320 |
|
|
12 |
B3u |
1011 |
949 |
0.939 |
81 |
321 |
C3H3 |
Propargyl radical |
1 |
A1 |
3525 |
3322 |
0.942 |
82 |
322 |
|
|
6 |
B1 |
740 |
687 |
0.929 |
82 |
323 |
|
|
7 |
B1 |
496 |
490 |
0.987 |
82 |
324 |
C4H2 |
Diacetylene |
6 |
Πg |
777 |
627 |
0.807 |
83 |
325 |
|
|
7 |
Πg |
624 |
482 |
0.772 |
83 |
326 |
|
|
8 |
Πu |
709 |
630 |
0.889 |
83 |
327 |
|
|
9 |
Πu |
248 |
231 |
0.931 |
83 |
328 |
N2H4 |
Hydrazine |
1 |
A |
3719 |
3398 |
0.914 |
84 |
329 |
|
|
2 |
A |
3572 |
3329 |
0.932 |
84 |
330 |
|
|
3 |
A |
1752 |
1642 |
0.937 |
84 |
331 |
|
|
4 |
A |
1307 |
1275 |
0.976 |
84 |
332 |
|
|
5 |
A |
1208 |
1076 |
0.891 |
84 |
333 |
|
|
6 |
A |
684 |
780 |
1.140 |
84 |
334 |
|
|
7 |
A |
439 |
377 |
0.858 |
84 |
335 |
|
|
8 |
B |
3721 |
3350 |
0.900 |
84 |
336 |
|
|
9 |
B |
3582 |
3314 |
0.925 |
84 |
337 |
|
|
10 |
B |
1745 |
1628 |
0.933 |
84 |
338 |
|
|
11 |
B |
1294 |
1275 |
0.985 |
84 |
339 |
|
|
12 |
B |
533 |
966 |
1.812 |
84 |
340 |
CH3CN |
Acetonitrile |
1 |
A1 |
3088 |
2954 |
0.957 |
85 |
341 |
|
|
2 |
A1 |
2359 |
2267 |
0.961 |
85 |
342 |
|
|
3 |
A1 |
1476 |
1385 |
0.939 |
85 |
343 |
|
|
4 |
A1 |
962 |
920 |
0.957 |
85 |
344 |
|
|
5 |
E |
3178 |
3009 |
0.947 |
85 |
345 |
|
|
6 |
E |
1524 |
1448 |
0.950 |
85 |
346 |
|
|
7 |
E |
1107 |
1041 |
0.941 |
85 |
347 |
|
|
8 |
E |
382 |
362 |
0.948 |
85 |
348 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2440 |
2290 |
0.938 |
86 |
349 |
|
|
2 |
Σg |
2215 |
2119 |
0.957 |
86 |
350 |
|
|
3 |
Σg |
629 |
692 |
1.100 |
86 |
351 |
|
|
4 |
Σu |
2355 |
2241 |
0.952 |
86 |
352 |
|
|
5 |
Σu |
1213 |
1154 |
0.951 |
86 |
353 |
|
|
6 |
Πg |
583 |
504 |
0.864 |
86 |
354 |
|
|
7 |
Πg |
283 |
263 |
0.930 |
86 |
355 |
|
|
8 |
Πu |
498 |
472 |
0.947 |
86 |
356 |
|
|
9 |
Πu |
114 |
107 |
0.941 |
86 |
357 |
CH3OH |
Methyl alcohol |
1 |
A' |
3719 |
3681 |
0.990 |
87 |
358 |
|
|
2 |
A' |
3197 |
3000 |
0.938 |
87 |
359 |
|
|
3 |
A' |
3040 |
2844 |
0.936 |
87 |
360 |
|
|
4 |
A' |
1559 |
1477 |
0.948 |
87 |
361 |
|
|
5 |
A' |
1521 |
1455 |
0.957 |
87 |
362 |
|
|
6 |
A' |
1382 |
1345 |
0.974 |
87 |
363 |
|
|
7 |
A' |
1091 |
1060 |
0.972 |
87 |
364 |
|
|
8 |
A' |
1025 |
1033 |
1.008 |
87 |
365 |
|
|
9 |
A" |
3104 |
2960 |
0.954 |
87 |
366 |
|
|
10 |
A" |
1548 |
1477 |
0.954 |
87 |
367 |
|
|
11 |
A" |
1172 |
1165 |
0.994 |
87 |
368 |
|
|
12 |
A" |
345 |
200 |
0.580 |
87 |
369 |
CHONH2 |
formamide |
1 |
A' |
3790 |
3564 |
0.940 |
88 |
370 |
|
|
2 |
A' |
3644 |
3439 |
0.944 |
88 |
371 |
|
|
3 |
A' |
3060 |
2854 |
0.933 |
88 |
372 |
|
|
4 |
A' |
1778 |
1754 |
0.987 |
88 |
373 |
|
|
5 |
A' |
1685 |
1577 |
0.936 |
88 |
374 |
|
|
6 |
A' |
1446 |
1390 |
0.962 |
88 |
375 |
|
|
7 |
A' |
1320 |
1258 |
0.953 |
88 |
376 |
|
|
8 |
A' |
1093 |
1046 |
0.957 |
88 |
377 |
|
|
9 |
A' |
572 |
581 |
1.015 |
88 |
378 |
|
|
10 |
A" |
1064 |
1021 |
0.960 |
88 |
379 |
|
|
11 |
A" |
696 |
603 |
0.866 |
88 |
380 |
|
|
12 |
A" |
556 |
289 |
0.519 |
88 |
381 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3072 |
2843 |
0.925 |
89 |
382 |
|
|
2 |
Ag |
1757 |
1745 |
0.993 |
89 |
383 |
|
|
3 |
Ag |
1394 |
1338 |
0.960 |
89 |
384 |
|
|
4 |
Ag |
1104 |
1065 |
0.965 |
89 |
385 |
|
|
5 |
Ag |
579 |
551 |
0.952 |
89 |
386 |
|
|
6 |
Au |
843 |
801 |
0.950 |
89 |
387 |
|
|
7 |
Au |
166 |
127 |
0.763 |
89 |
388 |
|
|
8 |
Bg |
1084 |
1048 |
0.967 |
89 |
389 |
|
|
9 |
Bu |
3074 |
2835 |
0.922 |
89 |
390 |
|
|
10 |
Bu |
1740 |
1732 |
0.996 |
89 |
391 |
|
|
11 |
Bu |
1371 |
1312 |
0.957 |
89 |
392 |
|
|
12 |
Bu |
342 |
339 |
0.992 |
89 |
393 |
CH3SH |
Methanethiol |
1 |
A' |
3236 |
3000 |
0.927 |
90 |
394 |
|
|
2 |
A' |
3117 |
2931 |
0.940 |
90 |
395 |
|
|
3 |
A' |
2547 |
2597 |
1.019 |
90 |
396 |
|
|
4 |
A' |
1532 |
1475 |
0.963 |
90 |
397 |
|
|
5 |
A' |
1414 |
1335 |
0.944 |
90 |
398 |
|
|
6 |
A' |
1109 |
1074 |
0.968 |
90 |
399 |
|
|
7 |
A' |
798 |
803 |
1.006 |
90 |
400 |
|
|
8 |
A' |
686 |
708 |
1.032 |
90 |
401 |
|
|
9 |
A" |
3229 |
3000 |
0.929 |
90 |
402 |
|
|
10 |
A" |
1528 |
1430 |
0.936 |
90 |
403 |
|
|
11 |
A" |
1009 |
976 |
0.968 |
90 |
404 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3333 |
3115 |
0.935 |
91 |
405 |
|
|
2 |
A' |
3285 |
3080 |
0.938 |
91 |
406 |
|
|
3 |
A' |
3230 |
3052 |
0.945 |
91 |
407 |
|
|
4 |
A' |
1753 |
1654 |
0.943 |
91 |
408 |
|
|
5 |
A' |
1461 |
1380 |
0.944 |
91 |
409 |
|
|
6 |
A' |
1363 |
1306 |
0.958 |
91 |
410 |
|
|
7 |
A' |
1172 |
1156 |
0.986 |
91 |
411 |
|
|
8 |
A' |
941 |
929 |
0.987 |
91 |
412 |
|
|
9 |
A' |
478 |
483 |
1.010 |
91 |
413 |
|
|
10 |
A" |
999 |
940 |
0.941 |
91 |
414 |
|
|
11 |
A" |
956 |
863 |
0.903 |
91 |
415 |
|
|
12 |
A" |
730 |
711 |
0.974 |
91 |
416 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3262 |
3070 |
0.941 |
92 |
417 |
|
|
2 |
A1 |
1822 |
1728 |
0.949 |
92 |
418 |
|
|
3 |
A1 |
1465 |
1360 |
0.929 |
92 |
419 |
|
|
4 |
A1 |
914 |
926 |
1.013 |
92 |
420 |
|
|
5 |
A1 |
511 |
550 |
1.076 |
92 |
421 |
|
|
6 |
A2 |
734 |
714 |
0.973 |
92 |
422 |
|
|
7 |
B1 |
922 |
803 |
0.871 |
92 |
423 |
|
|
8 |
B1 |
596 |
611 |
1.026 |
92 |
424 |
|
|
9 |
B2 |
3368 |
3154 |
0.936 |
92 |
425 |
|
|
10 |
B2 |
1329 |
1302 |
0.979 |
92 |
426 |
|
|
11 |
B2 |
980 |
955 |
0.975 |
92 |
427 |
|
|
12 |
B2 |
433 |
438 |
1.012 |
92 |
428 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2393 |
2275 |
0.951 |
93 |
429 |
|
|
2 |
A1 |
1249 |
1227 |
0.982 |
93 |
430 |
|
|
3 |
A1 |
782 |
802 |
1.026 |
93 |
431 |
|
|
4 |
A1 |
506 |
522 |
1.032 |
93 |
432 |
|
|
5 |
E |
1205 |
1214 |
1.008 |
93 |
433 |
|
|
6 |
E |
619 |
618 |
0.998 |
93 |
434 |
|
|
7 |
E |
433 |
463 |
1.070 |
93 |
435 |
|
|
8 |
E |
180 |
196 |
1.090 |
93 |
436 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1938 |
1872 |
0.966 |
94 |
437 |
|
|
2 |
Ag |
768 |
778 |
1.014 |
94 |
438 |
|
|
3 |
Ag |
375 |
394 |
1.051 |
94 |
439 |
|
|
4 |
Au |
189 |
190 |
1.007 |
94 |
440 |
|
|
5 |
B1u |
1172 |
1186 |
1.012 |
94 |
441 |
|
|
6 |
B1u |
522 |
558 |
1.069 |
94 |
442 |
|
|
7 |
B2g |
522 |
508 |
0.973 |
94 |
443 |
|
|
8 |
B2u |
1336 |
1337 |
1.001 |
94 |
444 |
|
|
9 |
B2u |
203 |
218 |
1.076 |
94 |
445 |
|
|
10 |
B3g |
1339 |
1340 |
1.001 |
94 |
446 |
|
|
11 |
B3g |
533 |
551 |
1.034 |
94 |
447 |
|
|
12 |
B3u |
402 |
406 |
1.010 |
94 |
448 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
684 |
816 |
1.194 |
95 |
449 |
|
|
2 |
A1' |
640 |
648 |
1.013 |
95 |
450 |
|
|
3 |
A2" |
955 |
947 |
0.991 |
95 |
451 |
|
|
4 |
A2" |
438 |
575 |
1.312 |
95 |
452 |
|
|
5 |
E' |
941 |
1024 |
1.088 |
95 |
453 |
|
|
6 |
E' |
404 |
533 |
1.319 |
95 |
454 |
|
|
7 |
E' |
146 |
174 |
1.190 |
95 |
455 |
|
|
8 |
E" |
376 |
520 |
1.383 |
95 |
456 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3317 |
3121 |
0.941 |
96 |
457 |
|
|
2 |
A' |
3299 |
3086 |
0.935 |
96 |
458 |
|
|
3 |
A' |
3212 |
3030 |
0.943 |
96 |
459 |
|
|
4 |
A' |
1713 |
1608 |
0.939 |
96 |
460 |
|
|
5 |
A' |
1452 |
1368 |
0.942 |
96 |
461 |
|
|
6 |
A' |
1329 |
1279 |
0.962 |
96 |
462 |
|
|
7 |
A' |
1067 |
1030 |
0.965 |
96 |
463 |
|
|
8 |
A' |
675 |
720 |
1.066 |
96 |
464 |
|
|
9 |
A' |
397 |
395 |
0.994 |
96 |
465 |
|
|
10 |
A" |
1001 |
941 |
0.940 |
96 |
466 |
|
|
11 |
A" |
988 |
896 |
0.907 |
96 |
467 |
|
|
12 |
A" |
648 |
620 |
0.957 |
96 |
468 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3230 |
3035 |
0.940 |
97 |
469 |
|
|
2 |
A1 |
1723 |
1627 |
0.944 |
97 |
470 |
|
|
3 |
A1 |
1452 |
1400 |
0.964 |
97 |
471 |
|
|
4 |
A1 |
574 |
603 |
1.050 |
97 |
472 |
|
|
5 |
A1 |
290 |
299 |
1.031 |
97 |
473 |
|
|
6 |
A2 |
708 |
686 |
0.969 |
97 |
474 |
|
|
7 |
B1 |
975 |
875 |
0.897 |
97 |
475 |
|
|
8 |
B1 |
476 |
460 |
0.966 |
97 |
476 |
|
|
9 |
B2 |
3334 |
3130 |
0.939 |
97 |
477 |
|
|
10 |
B2 |
1123 |
1095 |
0.975 |
97 |
478 |
|
|
11 |
B2 |
753 |
800 |
1.062 |
97 |
479 |
|
|
12 |
B2 |
380 |
372 |
0.980 |
97 |
480 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3314 |
3077 |
0.929 |
98 |
481 |
|
|
2 |
A1 |
1716 |
1587 |
0.925 |
98 |
482 |
|
|
3 |
A1 |
1244 |
1179 |
0.948 |
98 |
483 |
|
|
4 |
A1 |
678 |
711 |
1.048 |
98 |
484 |
|
|
5 |
A1 |
165 |
173 |
1.050 |
98 |
485 |
|
|
6 |
A2 |
961 |
876 |
0.912 |
98 |
486 |
|
|
7 |
A2 |
422 |
406 |
0.961 |
98 |
487 |
|
|
8 |
B1 |
750 |
697 |
0.929 |
98 |
488 |
|
|
9 |
B2 |
3289 |
3072 |
0.934 |
98 |
489 |
|
|
10 |
B2 |
1341 |
1303 |
0.972 |
98 |
490 |
|
|
11 |
B2 |
829 |
857 |
1.034 |
98 |
491 |
|
|
12 |
B2 |
564 |
571 |
1.013 |
98 |
492 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3322 |
3073 |
0.925 |
99 |
493 |
|
|
2 |
Ag |
1707 |
1578 |
0.925 |
99 |
494 |
|
|
3 |
Ag |
1323 |
1274 |
0.963 |
99 |
495 |
|
|
4 |
Ag |
819 |
846 |
1.033 |
99 |
496 |
|
|
5 |
Ag |
341 |
350 |
1.027 |
99 |
497 |
|
|
6 |
Au |
966 |
900 |
0.932 |
99 |
498 |
|
|
7 |
Au |
211 |
227 |
1.074 |
99 |
499 |
|
|
8 |
Bg |
843 |
763 |
0.905 |
99 |
500 |
|
|
9 |
Bu |
3316 |
3090 |
0.932 |
99 |
501 |
|
|
10 |
Bu |
1246 |
1200 |
0.963 |
99 |
502 |
|
|
11 |
Bu |
780 |
828 |
1.061 |
99 |
503 |
|
|
12 |
Bu |
230 |
250 |
1.086 |
99 |
504 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3317 |
3082 |
0.929 |
100 |
505 |
|
|
2 |
A' |
1719 |
1586 |
0.923 |
100 |
506 |
|
|
3 |
A' |
1299 |
1247 |
0.960 |
100 |
507 |
|
|
4 |
A' |
902 |
931 |
1.033 |
100 |
508 |
|
|
5 |
A' |
806 |
840 |
1.042 |
100 |
509 |
|
|
6 |
A' |
611 |
630 |
1.032 |
100 |
510 |
|
|
7 |
A' |
377 |
384 |
1.020 |
100 |
511 |
|
|
8 |
A' |
270 |
277 |
1.027 |
100 |
512 |
|
|
9 |
A' |
168 |
178 |
1.059 |
100 |
513 |
|
|
10 |
A" |
870 |
780 |
0.897 |
100 |
514 |
|
|
11 |
A" |
487 |
451 |
0.926 |
100 |
515 |
|
|
12 |
A" |
204 |
215 |
1.055 |
100 |
516 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1713 |
1571 |
0.917 |
101 |
517 |
|
|
2 |
Ag |
430 |
447 |
1.040 |
101 |
518 |
|
|
3 |
Ag |
234 |
237 |
1.013 |
101 |
519 |
|
|
4 |
Au |
97 |
110 |
1.131 |
101 |
520 |
|
|
5 |
B1u |
751 |
777 |
1.034 |
101 |
521 |
|
|
6 |
B1u |
308 |
310 |
1.006 |
101 |
522 |
|
|
7 |
B2g |
585 |
512 |
0.876 |
101 |
523 |
|
|
8 |
B2u |
874 |
908 |
1.039 |
101 |
524 |
|
|
9 |
B2u |
176 |
176 |
1.001 |
101 |
525 |
|
|
10 |
B3g |
957 |
1000 |
1.045 |
101 |
526 |
|
|
11 |
B3g |
345 |
347 |
1.006 |
101 |
527 |
|
|
12 |
B3u |
298 |
288 |
0.966 |
101 |
528 |
CH3CCH |
propyne |
1 |
A1 |
3538 |
3334 |
0.942 |
102 |
529 |
|
|
2 |
A1 |
3068 |
2918 |
0.951 |
102 |
530 |
|
|
3 |
A1 |
2262 |
2124 |
0.939 |
102 |
531 |
|
|
4 |
A1 |
1476 |
1382 |
0.937 |
102 |
532 |
|
|
5 |
A1 |
973 |
931 |
0.957 |
102 |
533 |
|
|
6 |
E |
3148 |
3008 |
0.955 |
102 |
534 |
|
|
7 |
E |
1532 |
1452 |
0.948 |
102 |
535 |
|
|
8 |
E |
1102 |
1053 |
0.955 |
102 |
536 |
|
|
9 |
E |
696 |
633 |
0.910 |
102 |
537 |
|
|
10 |
E |
363 |
328 |
0.903 |
102 |
538 |
CH2CCH2 |
allene |
1 |
A1 |
3186 |
3015 |
0.946 |
103 |
539 |
|
|
2 |
A1 |
1527 |
1443 |
0.945 |
103 |
540 |
|
|
3 |
A1 |
1135 |
1073 |
0.945 |
103 |
541 |
|
|
4 |
B1 |
902 |
865 |
0.959 |
103 |
542 |
|
|
5 |
B2 |
3185 |
3007 |
0.944 |
103 |
543 |
|
|
6 |
B2 |
2106 |
1957 |
0.929 |
103 |
544 |
|
|
7 |
B2 |
1480 |
1398 |
0.945 |
103 |
545 |
|
|
8 |
E |
3267 |
3086 |
0.945 |
103 |
546 |
|
|
9 |
E |
1064 |
999 |
0.939 |
103 |
547 |
|
|
10 |
E |
931 |
841 |
0.903 |
103 |
548 |
|
|
11 |
E |
382 |
355 |
0.929 |
103 |
549 |
C3H4 |
cyclopropene |
1 |
A1 |
3392 |
3158 |
0.931 |
104 |
550 |
|
|
2 |
A1 |
3114 |
2909 |
0.934 |
104 |
551 |
|
|
3 |
A1 |
1746 |
1653 |
0.947 |
104 |
552 |
|
|
4 |
A1 |
1570 |
1483 |
0.944 |
104 |
553 |
|
|
5 |
A1 |
1182 |
1110 |
0.939 |
104 |
554 |
|
|
6 |
A1 |
950 |
905 |
0.953 |
104 |
555 |
|
|
7 |
A2 |
1040 |
996 |
0.957 |
104 |
556 |
|
|
8 |
A2 |
890 |
820 |
0.921 |
104 |
557 |
|
|
9 |
B1 |
3189 |
2995 |
0.939 |
104 |
558 |
|
|
10 |
B1 |
1140 |
1088 |
0.955 |
104 |
559 |
|
|
11 |
B1 |
641 |
569 |
0.888 |
104 |
560 |
|
|
12 |
B2 |
3340 |
3124 |
0.935 |
104 |
561 |
|
|
13 |
B2 |
1134 |
1043 |
0.920 |
104 |
562 |
|
|
14 |
B2 |
1077 |
1011 |
0.939 |
104 |
563 |
|
|
15 |
B2 |
797 |
769 |
0.965 |
104 |
564 |
CH3NH2 |
methyl amine |
1 |
A' |
3621 |
3361 |
0.928 |
105 |
565 |
|
|
2 |
A' |
3104 |
2961 |
0.954 |
105 |
566 |
|
|
3 |
A' |
2976 |
2820 |
0.948 |
105 |
567 |
|
|
4 |
A' |
1728 |
1623 |
0.939 |
105 |
568 |
|
|
5 |
A' |
1551 |
1473 |
0.950 |
105 |
569 |
|
|
6 |
A' |
1513 |
1430 |
0.945 |
105 |
570 |
|
|
7 |
A' |
1179 |
1130 |
0.959 |
105 |
571 |
|
|
8 |
A' |
1128 |
1044 |
0.926 |
105 |
572 |
|
|
9 |
A' |
561 |
780 |
1.390 |
105 |
573 |
|
|
10 |
A" |
3743 |
3427 |
0.916 |
105 |
574 |
|
|
11 |
A" |
3155 |
2985 |
0.946 |
105 |
575 |
|
|
12 |
A" |
1573 |
1485 |
0.944 |
105 |
576 |
|
|
13 |
A" |
1354 |
1335 |
0.986 |
105 |
577 |
|
|
14 |
A" |
988 |
|
|
105 |
578 |
|
|
15 |
A" |
279 |
268 |
0.959 |
105 |
579 |
C3H3N |
acrylonitrile |
1 |
A' |
3318 |
3125 |
0.942 |
106 |
580 |
|
|
2 |
A' |
3232 |
3078 |
0.952 |
106 |
581 |
|
|
3 |
A' |
3215 |
3042 |
0.946 |
106 |
582 |
|
|
4 |
A' |
2333 |
2239 |
0.960 |
106 |
583 |
|
|
5 |
A' |
1715 |
1615 |
0.942 |
106 |
584 |
|
|
6 |
A' |
1493 |
1416 |
0.948 |
106 |
585 |
|
|
7 |
A' |
1362 |
1282 |
0.941 |
106 |
586 |
|
|
8 |
A' |
1148 |
1096 |
0.955 |
106 |
587 |
|
|
9 |
A' |
906 |
869 |
0.959 |
106 |
588 |
|
|
10 |
A' |
588 |
570 |
0.970 |
106 |
589 |
|
|
11 |
A' |
239 |
242 |
1.012 |
106 |
590 |
|
|
12 |
A" |
1042 |
972 |
0.933 |
106 |
591 |
|
|
13 |
A" |
1026 |
954 |
0.930 |
106 |
592 |
|
|
14 |
A" |
738 |
683 |
0.925 |
106 |
593 |
|
|
15 |
A" |
347 |
362 |
1.043 |
106 |
594 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3082 |
2935 |
0.952 |
107 |
595 |
|
|
2 |
A1 |
2369 |
2275 |
0.960 |
107 |
596 |
|
|
3 |
A1 |
1499 |
1395 |
0.930 |
107 |
597 |
|
|
4 |
A1 |
919 |
890 |
0.969 |
107 |
598 |
|
|
5 |
A1 |
594 |
582 |
0.981 |
107 |
599 |
|
|
6 |
A1 |
150 |
167 |
1.116 |
107 |
600 |
|
|
7 |
A2 |
1286 |
1220 |
0.949 |
107 |
601 |
|
|
8 |
A2 |
381 |
367 |
0.963 |
107 |
602 |
|
|
9 |
B1 |
3129 |
2968 |
0.949 |
107 |
603 |
|
|
10 |
B1 |
981 |
933 |
0.951 |
107 |
604 |
|
|
11 |
B1 |
347 |
337 |
0.972 |
107 |
605 |
|
|
12 |
B2 |
2366 |
2275 |
0.961 |
107 |
606 |
|
|
13 |
B2 |
1392 |
1318 |
0.947 |
107 |
607 |
|
|
14 |
B2 |
1025 |
982 |
0.958 |
107 |
608 |
|
|
15 |
B2 |
372 |
366 |
0.984 |
107 |
609 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3755 |
3447 |
0.918 |
108 |
610 |
|
|
2 |
A' |
3391 |
3102 |
0.915 |
108 |
611 |
|
|
3 |
A' |
1509 |
1441 |
0.955 |
108 |
612 |
|
|
4 |
A' |
1438 |
1384 |
0.962 |
108 |
613 |
|
|
5 |
A' |
1266 |
1259 |
0.994 |
108 |
614 |
|
|
6 |
A' |
1224 |
1159 |
0.947 |
108 |
615 |
|
|
7 |
A' |
1164 |
1084 |
0.932 |
108 |
616 |
|
|
8 |
A' |
1051 |
1015 |
0.965 |
108 |
617 |
|
|
9 |
A' |
1023 |
1002 |
0.979 |
108 |
618 |
|
|
10 |
A' |
976 |
969 |
0.993 |
108 |
619 |
|
|
11 |
A' |
894 |
925 |
1.034 |
108 |
620 |
|
|
12 |
A" |
897 |
906 |
1.010 |
108 |
621 |
|
|
13 |
A" |
753 |
663 |
0.880 |
108 |
622 |
|
|
14 |
A" |
727 |
658 |
0.905 |
108 |
623 |
|
|
15 |
A" |
680 |
578 |
0.849 |
108 |
624 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3205 |
3014 |
0.940 |
109 |
625 |
|
|
2 |
A' |
3069 |
2923 |
0.952 |
109 |
626 |
|
|
3 |
A' |
2997 |
2716 |
0.906 |
109 |
627 |
|
|
4 |
A' |
1772 |
1743 |
0.983 |
109 |
628 |
|
|
5 |
A' |
1509 |
1433 |
0.949 |
109 |
629 |
|
|
6 |
A' |
1458 |
1395 |
0.957 |
109 |
630 |
|
|
7 |
A' |
1441 |
1352 |
0.938 |
109 |
631 |
|
|
8 |
A' |
1169 |
1114 |
0.953 |
109 |
632 |
|
|
9 |
A' |
936 |
867 |
0.927 |
109 |
633 |
|
|
10 |
A' |
516 |
509 |
0.987 |
109 |
634 |
|
|
11 |
A" |
3142 |
2964 |
0.943 |
109 |
635 |
|
|
12 |
A" |
1521 |
1431 |
0.941 |
109 |
636 |
|
|
13 |
A" |
1164 |
1102 |
0.947 |
109 |
637 |
|
|
14 |
A" |
813 |
764 |
0.940 |
109 |
638 |
|
|
15 |
A" |
150 |
150 |
0.997 |
109 |
639 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3181 |
3006 |
0.945 |
110 |
640 |
|
|
2 |
A1 |
1571 |
1467 |
0.934 |
110 |
641 |
|
|
3 |
A1 |
1298 |
1267 |
0.976 |
110 |
642 |
|
|
4 |
A1 |
1156 |
1146 |
0.991 |
110 |
643 |
|
|
5 |
A1 |
865 |
857 |
0.991 |
110 |
644 |
|
|
6 |
A2 |
3266 |
3063 |
0.938 |
110 |
645 |
|
|
7 |
A2 |
1211 |
1050 |
0.867 |
110 |
646 |
|
|
8 |
A2 |
1025 |
1020 |
0.995 |
110 |
647 |
|
|
9 |
B1 |
3283 |
3065 |
0.934 |
110 |
648 |
|
|
10 |
B1 |
1138 |
1146 |
1.007 |
110 |
649 |
|
|
11 |
B1 |
844 |
797 |
0.944 |
110 |
650 |
|
|
12 |
B2 |
3170 |
3006 |
0.948 |
110 |
651 |
|
|
13 |
B2 |
1547 |
1459 |
0.943 |
110 |
652 |
|
|
14 |
B2 |
1171 |
1159 |
0.990 |
110 |
653 |
|
|
15 |
B2 |
801 |
824 |
1.029 |
110 |
654 |
CH3ONO |
Methyl nitrite |
1 |
A' |
3251 |
3037 |
0.934 |
111 |
655 |
|
|
2 |
A' |
3102 |
2950 |
0.951 |
111 |
656 |
|
|
3 |
A' |
1588 |
1613 |
1.016 |
111 |
657 |
|
|
4 |
A' |
1532 |
1454 |
0.949 |
111 |
658 |
|
|
5 |
A' |
1470 |
1408 |
0.958 |
111 |
659 |
|
|
6 |
A' |
1183 |
1239 |
1.047 |
111 |
660 |
|
|
7 |
A' |
970 |
991 |
1.021 |
111 |
661 |
|
|
8 |
A' |
834 |
838 |
1.005 |
111 |
662 |
|
|
9 |
A' |
640 |
627 |
0.980 |
111 |
663 |
|
|
10 |
A' |
325 |
346 |
1.065 |
111 |
664 |
|
|
11 |
A" |
3196 |
2991 |
0.936 |
111 |
665 |
|
|
12 |
A" |
1522 |
1438 |
0.945 |
111 |
666 |
|
|
13 |
A" |
1161 |
1143 |
0.984 |
111 |
667 |
|
|
14 |
A" |
363 |
|
|
111 |
668 |
|
|
15 |
A" |
153 |
186 |
1.215 |
111 |
669 |
C2H4S |
Thiirane |
1 |
A1 |
3209 |
3014 |
0.939 |
112 |
670 |
|
|
2 |
A1 |
1539 |
1457 |
0.947 |
112 |
671 |
|
|
5 |
A1 |
605 |
627 |
1.036 |
112 |
672 |
|
|
11 |
B1 |
870 |
824 |
0.947 |
112 |
673 |
|
|
12 |
B2 |
3204 |
3013 |
0.940 |
112 |
674 |
|
|
14 |
B2 |
1123 |
1051 |
0.936 |
112 |
675 |
H2SO4 |
Sulfuric acid |
1 |
A |
3598 |
3563 |
0.990 |
113 |
676 |
|
|
2 |
A |
1136 |
1216 |
1.071 |
113 |
677 |
|
|
3 |
A |
896 |
1136 |
1.268 |
113 |
678 |
|
|
4 |
A |
649 |
831 |
1.282 |
113 |
679 |
|
|
5 |
A |
369 |
548 |
1.483 |
113 |
680 |
|
|
6 |
A |
293 |
422 |
1.438 |
113 |
681 |
|
|
7 |
A |
228 |
379 |
1.657 |
113 |
682 |
|
|
8 |
A |
152 |
224 |
1.470 |
113 |
683 |
|
|
9 |
B |
3594 |
3567 |
0.992 |
113 |
684 |
|
|
10 |
B |
1217 |
1452 |
1.194 |
113 |
685 |
|
|
11 |
B |
992 |
1157 |
1.167 |
113 |
686 |
|
|
12 |
B |
715 |
882 |
1.233 |
113 |
687 |
|
|
13 |
B |
350 |
558 |
1.596 |
113 |
688 |
|
|
14 |
B |
330 |
506 |
1.535 |
113 |
689 |
|
|
15 |
B |
191 |
288 |
1.507 |
113 |
690 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3233 |
3043 |
0.941 |
114 |
691 |
|
|
2 |
A' |
3101 |
2955 |
0.953 |
114 |
692 |
|
|
3 |
A' |
1876 |
1870 |
0.997 |
114 |
693 |
|
|
4 |
A' |
1518 |
1440 |
0.948 |
114 |
694 |
|
|
5 |
A' |
1461 |
1378 |
0.943 |
114 |
695 |
|
|
6 |
A' |
1246 |
1188 |
0.953 |
114 |
696 |
|
|
7 |
A' |
1041 |
1000 |
0.961 |
114 |
697 |
|
|
8 |
A' |
842 |
826 |
0.981 |
114 |
698 |
|
|
9 |
A' |
586 |
598 |
1.021 |
114 |
699 |
|
|
10 |
A' |
408 |
420 |
1.029 |
114 |
700 |
|
|
11 |
A" |
3181 |
3004 |
0.944 |
114 |
701 |
|
|
12 |
A" |
1521 |
1437 |
0.945 |
114 |
702 |
|
|
13 |
A" |
1106 |
1054 |
0.953 |
114 |
703 |
|
|
14 |
A" |
562 |
567 |
1.009 |
114 |
704 |
|
|
15 |
A" |
141 |
123 |
0.874 |
114 |
705 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
627 |
774 |
1.234 |
115 |
706 |
|
|
2 |
Eg |
598 |
642 |
1.073 |
115 |
707 |
|
|
3 |
T1u |
904 |
948 |
1.049 |
115 |
708 |
|
|
4 |
T1u |
405 |
616 |
1.520 |
115 |
709 |
|
|
5 |
T2g |
339 |
525 |
1.550 |
115 |
710 |
|
|
6 |
T2u |
223 |
347 |
1.553 |
115 |
711 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3215 |
3027 |
0.942 |
116 |
712 |
|
|
2 |
A' |
3098 |
2948 |
0.952 |
116 |
713 |
|
|
3 |
A' |
1865 |
1818 |
0.975 |
116 |
714 |
|
|
4 |
A' |
1511 |
1415 |
0.936 |
116 |
715 |
|
|
5 |
A' |
1452 |
1368 |
0.942 |
116 |
716 |
|
|
6 |
A' |
1151 |
1108 |
0.962 |
116 |
717 |
|
|
7 |
A' |
994 |
956 |
0.962 |
116 |
718 |
|
|
8 |
A' |
587 |
604 |
1.028 |
116 |
719 |
|
|
9 |
A' |
421 |
445 |
1.057 |
116 |
720 |
|
|
10 |
A' |
340 |
348 |
1.025 |
116 |
721 |
|
|
11 |
A" |
3187 |
2990 |
0.938 |
116 |
722 |
|
|
12 |
A" |
1511 |
1431 |
0.947 |
116 |
723 |
|
|
13 |
A" |
1087 |
1032 |
0.949 |
116 |
724 |
|
|
14 |
A" |
516 |
518 |
1.005 |
116 |
725 |
|
|
15 |
A" |
136 |
166 |
1.217 |
116 |
726 |
C2H6 |
Ethane |
1 |
A1g |
3071 |
2954 |
0.962 |
117 |
727 |
|
|
2 |
A1g |
1471 |
1388 |
0.943 |
117 |
728 |
|
|
3 |
A1g |
1040 |
995 |
0.957 |
117 |
729 |
|
|
4 |
A1u |
306 |
289 |
0.945 |
117 |
730 |
|
|
5 |
A2u |
3068 |
2896 |
0.944 |
117 |
731 |
|
|
6 |
A2u |
1469 |
1379 |
0.939 |
117 |
732 |
|
|
7 |
Eg |
3138 |
2969 |
0.946 |
117 |
733 |
|
|
8 |
Eg |
1555 |
1468 |
0.944 |
117 |
734 |
|
|
9 |
Eg |
1259 |
1190 |
0.945 |
117 |
735 |
|
|
10 |
Eu |
3165 |
2985 |
0.943 |
117 |
736 |
|
|
11 |
Eu |
1558 |
1469 |
0.943 |
117 |
737 |
|
|
12 |
Eu |
862 |
822 |
0.953 |
117 |
738 |
C3H5 |
Allyl radical |
1 |
A1 |
3306 |
3114 |
0.942 |
118 |
739 |
|
|
2 |
A1 |
3202 |
3048 |
0.952 |
118 |
740 |
|
|
4 |
A1 |
1558 |
1488 |
0.955 |
118 |
741 |
|
|
5 |
A1 |
1307 |
1245 |
0.953 |
118 |
742 |
|
|
6 |
A1 |
1064 |
1066 |
1.002 |
118 |
743 |
|
|
7 |
A1 |
436 |
427 |
0.979 |
118 |
744 |
|
|
9 |
A2 |
559 |
549 |
0.983 |
118 |
745 |
|
|
10 |
B1 |
1035 |
968 |
0.935 |
118 |
746 |
|
|
11 |
B1 |
851 |
802 |
0.942 |
118 |
747 |
|
|
12 |
B1 |
543 |
518 |
0.954 |
118 |
748 |
|
|
13 |
B2 |
3302 |
3105 |
0.940 |
118 |
749 |
|
|
14 |
B2 |
3196 |
3016 |
0.944 |
118 |
750 |
|
|
15 |
B2 |
1548 |
1463 |
0.945 |
118 |
751 |
|
|
16 |
B2 |
1469 |
1389 |
0.946 |
118 |
752 |
|
|
17 |
B2 |
1257 |
1182 |
0.940 |
118 |
753 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3088 |
2898 |
0.939 |
119 |
754 |
|
|
2 |
A1 |
2173 |
2166 |
0.997 |
119 |
755 |
|
|
3 |
A1 |
1369 |
1260 |
0.920 |
119 |
756 |
|
|
4 |
A1 |
904 |
940 |
1.040 |
119 |
757 |
|
|
5 |
A1 |
691 |
700 |
1.014 |
119 |
758 |
|
|
6 |
A2 |
172 |
187 |
1.090 |
119 |
759 |
|
|
7 |
E |
3190 |
2982 |
0.935 |
119 |
760 |
|
|
8 |
E |
2188 |
2169 |
0.991 |
119 |
761 |
|
|
9 |
E |
1519 |
1403 |
0.924 |
119 |
762 |
|
|
10 |
E |
950 |
980 |
1.031 |
119 |
763 |
|
|
11 |
E |
928 |
868 |
0.935 |
119 |
764 |
|
|
12 |
E |
528 |
540 |
1.022 |
119 |
765 |
Si2H6 |
disilane |
1 |
A1g |
2182 |
2152 |
0.986 |
120 |
766 |
|
|
2 |
A1g |
880 |
909 |
1.033 |
120 |
767 |
|
|
3 |
A1g |
434 |
434 |
1.001 |
120 |
768 |
|
|
4 |
A1u |
130 |
131 |
1.006 |
120 |
769 |
|
|
5 |
A2u |
2172 |
2154 |
0.992 |
120 |
770 |
|
|
6 |
A2u |
820 |
844 |
1.029 |
120 |
771 |
|
|
7 |
Eg |
2196 |
2155 |
0.982 |
120 |
772 |
|
|
8 |
Eg |
926 |
929 |
1.004 |
120 |
773 |
|
|
9 |
Eg |
627 |
625 |
0.997 |
120 |
774 |
|
|
10 |
Eu |
2207 |
2179 |
0.987 |
120 |
775 |
|
|
11 |
Eu |
934 |
940 |
1.006 |
120 |
776 |
|
|
12 |
Eu |
394 |
379 |
0.964 |
120 |
777 |
C2H5N |
Aziridine |
1 |
A' |
3516 |
3338 |
0.949 |
121 |
778 |
|
|
2 |
A' |
3279 |
3079 |
0.939 |
121 |
779 |
|
|
3 |
A' |
3176 |
3015 |
0.949 |
121 |
780 |
|
|
4 |
A' |
1567 |
1482 |
0.945 |
121 |
781 |
|
|
5 |
A' |
1311 |
1237 |
0.943 |
121 |
782 |
|
|
6 |
A' |
1242 |
1211 |
0.975 |
121 |
783 |
|
|
7 |
A' |
1144 |
1090 |
0.953 |
121 |
784 |
|
|
8 |
A' |
1009 |
998 |
0.989 |
121 |
785 |
|
|
9 |
A' |
872 |
856 |
0.981 |
121 |
786 |
|
|
10 |
A' |
763 |
773 |
1.013 |
121 |
787 |
|
|
11 |
A" |
3264 |
3079 |
0.943 |
121 |
788 |
|
|
12 |
A" |
3167 |
3015 |
0.952 |
121 |
789 |
|
|
13 |
A" |
1546 |
1463 |
0.946 |
121 |
790 |
|
|
14 |
A" |
1302 |
1268 |
0.974 |
121 |
791 |
|
|
15 |
A" |
1184 |
1131 |
0.955 |
121 |
792 |
|
|
16 |
A" |
1158 |
1095 |
0.946 |
121 |
793 |
|
|
17 |
A" |
943 |
904 |
0.958 |
121 |
794 |
|
|
18 |
A" |
877 |
817 |
0.932 |
121 |
795 |
CH3COOH |
Acetic acid |
1 |
A' |
3676 |
3583 |
0.975 |
122 |
796 |
|
|
2 |
A' |
3232 |
3051 |
0.944 |
122 |
797 |
|
|
3 |
A' |
3101 |
2944 |
0.949 |
122 |
798 |
|
|
4 |
A' |
1792 |
1788 |
0.998 |
122 |
799 |
|
|
5 |
A' |
1519 |
1430 |
0.942 |
122 |
800 |
|
|
6 |
A' |
1461 |
1382 |
0.946 |
122 |
801 |
|
|
7 |
A' |
1387 |
1264 |
0.911 |
122 |
802 |
|
|
8 |
A' |
1198 |
1182 |
0.986 |
122 |
803 |
|
|
9 |
A' |
1030 |
989 |
0.960 |
122 |
804 |
|
|
10 |
A' |
883 |
847 |
0.960 |
122 |
805 |
|
|
11 |
A' |
578 |
657 |
1.136 |
122 |
806 |
|
|
12 |
A' |
425 |
|
|
122 |
807 |
|
|
13 |
A" |
3181 |
2996 |
0.942 |
122 |
808 |
|
|
14 |
A" |
1524 |
1430 |
0.938 |
122 |
809 |
|
|
15 |
A" |
1106 |
1048 |
0.948 |
122 |
810 |
|
|
16 |
A" |
675 |
642 |
0.951 |
122 |
811 |
|
|
17 |
A" |
557 |
534 |
0.959 |
122 |
812 |
|
|
18 |
A" |
81 |
93 |
1.142 |
122 |
813 |
CH3OCHO |
methyl formate |
1 |
A' |
3250 |
3045 |
0.937 |
123 |
814 |
|
|
2 |
A' |
3175 |
2969 |
0.935 |
123 |
815 |
|
|
3 |
A' |
3107 |
2943 |
0.947 |
123 |
816 |
|
|
4 |
A' |
1745 |
1754 |
1.005 |
123 |
817 |
|
|
5 |
A' |
1542 |
1454 |
0.943 |
123 |
818 |
|
|
6 |
A' |
1496 |
1445 |
0.966 |
123 |
819 |
|
|
7 |
A' |
1411 |
1371 |
0.972 |
123 |
820 |
|
|
8 |
A' |
1231 |
1207 |
0.980 |
123 |
821 |
|
|
9 |
A' |
1187 |
1166 |
0.982 |
123 |
822 |
|
|
10 |
A' |
914 |
925 |
1.012 |
123 |
823 |
|
|
11 |
A' |
762 |
767 |
1.006 |
123 |
824 |
|
|
12 |
A' |
282 |
318 |
1.126 |
123 |
825 |
|
|
13 |
A" |
3202 |
3012 |
0.941 |
123 |
826 |
|
|
14 |
A" |
1533 |
1443 |
0.941 |
123 |
827 |
|
|
15 |
A" |
1179 |
1168 |
0.991 |
123 |
828 |
|
|
16 |
A" |
1037 |
1032 |
0.995 |
123 |
829 |
|
|
17 |
A" |
346 |
332 |
0.959 |
123 |
830 |
|
|
18 |
A" |
88 |
130 |
1.475 |
123 |
831 |
C3H3NO |
Isoxazole |
1 |
A' |
3374 |
3160 |
0.937 |
124 |
832 |
|
|
2 |
A' |
3349 |
3128 |
0.934 |
124 |
833 |
|
|
3 |
A' |
3331 |
3086 |
0.926 |
124 |
834 |
|
|
4 |
A' |
1612 |
1561 |
0.968 |
124 |
835 |
|
|
5 |
A' |
1478 |
1433 |
0.969 |
124 |
836 |
|
|
6 |
A' |
1406 |
1371 |
0.975 |
124 |
837 |
|
|
7 |
A' |
1263 |
1218 |
0.965 |
124 |
838 |
|
|
8 |
A' |
1168 |
1130 |
0.968 |
124 |
839 |
|
|
9 |
A' |
1113 |
1096 |
0.985 |
124 |
840 |
|
|
10 |
A' |
1066 |
1024 |
0.960 |
124 |
841 |
|
|
11 |
A' |
945 |
920 |
0.973 |
124 |
842 |
|
|
12 |
A' |
926 |
900 |
0.972 |
124 |
843 |
|
|
13 |
A' |
797 |
857 |
1.075 |
124 |
844 |
|
|
14 |
A" |
956 |
890 |
0.931 |
124 |
845 |
|
|
15 |
A" |
919 |
866 |
0.942 |
124 |
846 |
|
|
16 |
A" |
817 |
765 |
0.937 |
124 |
847 |
|
|
17 |
A" |
644 |
631 |
0.979 |
124 |
848 |
|
|
18 |
A" |
604 |
592 |
0.980 |
124 |
849 |
C3H3NO |
Oxazole |
1 |
A' |
3401 |
3170 |
0.932 |
125 |
850 |
|
|
2 |
A' |
3390 |
3144 |
0.927 |
125 |
851 |
|
|
3 |
A' |
3361 |
3141 |
0.935 |
125 |
852 |
|
|
4 |
A' |
1580 |
1537 |
0.973 |
125 |
853 |
|
|
5 |
A' |
1526 |
1504 |
0.986 |
125 |
854 |
|
|
6 |
A' |
1362 |
1324 |
0.972 |
125 |
855 |
|
|
7 |
A' |
1279 |
1252 |
0.979 |
125 |
856 |
|
|
8 |
A' |
1177 |
1139 |
0.968 |
125 |
857 |
|
|
9 |
A' |
1107 |
1086 |
0.981 |
125 |
858 |
|
|
10 |
A' |
1062 |
1078 |
1.015 |
125 |
859 |
|
|
11 |
A' |
1054 |
1046 |
0.992 |
125 |
860 |
|
|
12 |
A' |
920 |
899 |
0.977 |
125 |
861 |
|
|
13 |
A' |
915 |
854 |
0.933 |
125 |
862 |
|
|
14 |
A" |
924 |
907 |
0.981 |
125 |
863 |
|
|
15 |
A" |
851 |
830 |
0.975 |
125 |
864 |
|
|
16 |
A" |
801 |
750 |
0.936 |
125 |
865 |
|
|
17 |
A" |
669 |
647 |
0.967 |
125 |
866 |
|
|
18 |
A" |
627 |
607 |
0.968 |
125 |
867 |
CH3NO3 |
Methyl nitrate |
1 |
A' |
3240 |
3008 |
0.928 |
126 |
868 |
|
|
2 |
A' |
3111 |
2941 |
0.945 |
126 |
869 |
|
|
3 |
A' |
1649 |
1678 |
1.018 |
126 |
870 |
|
|
4 |
A' |
1541 |
1468 |
0.953 |
126 |
871 |
|
|
5 |
A' |
1484 |
1430 |
0.963 |
126 |
872 |
|
|
6 |
A' |
1271 |
1287 |
1.013 |
126 |
873 |
|
|
7 |
A' |
1186 |
1176 |
0.992 |
126 |
874 |
|
|
8 |
A' |
1002 |
1017 |
1.015 |
126 |
875 |
|
|
9 |
A' |
832 |
854 |
1.027 |
126 |
876 |
|
|
10 |
A' |
641 |
657 |
1.026 |
126 |
877 |
|
|
11 |
A' |
557 |
578 |
1.037 |
126 |
878 |
|
|
12 |
A' |
325 |
340 |
1.047 |
126 |
879 |
|
|
13 |
A" |
3220 |
3008 |
0.934 |
126 |
880 |
|
|
14 |
A" |
1516 |
1455 |
0.959 |
126 |
881 |
|
|
15 |
A" |
1173 |
1136 |
0.968 |
126 |
882 |
|
|
16 |
A" |
729 |
758 |
1.039 |
126 |
883 |
|
|
17 |
A" |
182 |
|
|
126 |
884 |
|
|
18 |
A" |
137 |
|
|
126 |
885 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
1 |
A' |
3208 |
3015 |
0.940 |
127 |
886 |
|
|
2 |
A' |
3164 |
2975 |
0.940 |
127 |
887 |
|
|
3 |
A' |
3105 |
2964 |
0.955 |
127 |
888 |
|
|
4 |
A' |
1535 |
1457 |
0.949 |
127 |
889 |
|
|
5 |
A' |
1484 |
1413 |
0.952 |
127 |
890 |
|
|
6 |
A' |
1425 |
1357 |
0.952 |
127 |
891 |
|
|
7 |
A' |
1201 |
1171 |
0.975 |
127 |
892 |
|
|
8 |
A' |
1148 |
1140 |
0.993 |
127 |
893 |
|
|
9 |
A' |
890 |
868 |
0.975 |
127 |
894 |
|
|
10 |
A' |
546 |
569 |
1.042 |
127 |
895 |
|
|
11 |
A' |
440 |
468 |
1.063 |
127 |
896 |
|
|
12 |
A" |
3202 |
|
|
127 |
897 |
|
|
13 |
A" |
1538 |
|
|
127 |
898 |
|
|
14 |
A" |
1411 |
1362 |
0.965 |
127 |
899 |
|
|
15 |
A" |
1185 |
1135 |
0.958 |
127 |
900 |
|
|
16 |
A" |
969 |
942 |
0.972 |
127 |
901 |
|
|
17 |
A" |
373 |
|
|
127 |
902 |
|
|
18 |
A" |
254 |
|
|
127 |
903 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3123 |
2974 |
0.952 |
128 |
904 |
|
|
2 |
A1 |
1491 |
1412 |
0.947 |
128 |
905 |
|
|
3 |
A1 |
1325 |
1278 |
0.965 |
128 |
906 |
|
|
4 |
A1 |
816 |
828 |
1.015 |
128 |
907 |
|
|
5 |
A1 |
570 |
606 |
1.063 |
128 |
908 |
|
|
6 |
A2 |
253 |
225 |
0.888 |
128 |
909 |
|
|
7 |
E |
3224 |
3042 |
0.943 |
128 |
910 |
|
|
8 |
E |
1533 |
1450 |
0.946 |
128 |
911 |
|
|
9 |
E |
1283 |
1230 |
0.958 |
128 |
912 |
|
|
10 |
E |
1002 |
964 |
0.962 |
128 |
913 |
|
|
11 |
E |
509 |
540 |
1.061 |
128 |
914 |
|
|
12 |
E |
350 |
365 |
1.044 |
128 |
915 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1401 |
1420 |
1.014 |
129 |
916 |
|
|
2 |
A1g |
771 |
809 |
1.050 |
129 |
917 |
|
|
3 |
A1g |
342 |
349 |
1.020 |
129 |
918 |
|
|
4 |
A1u |
57 |
68 |
1.195 |
129 |
919 |
|
|
5 |
A2u |
1107 |
1117 |
1.009 |
129 |
920 |
|
|
6 |
A2u |
661 |
714 |
1.081 |
129 |
921 |
|
|
7 |
Eg |
1243 |
1237 |
0.995 |
129 |
922 |
|
|
8 |
Eg |
592 |
620 |
1.047 |
129 |
923 |
|
|
9 |
Eg |
356 |
380 |
1.068 |
129 |
924 |
|
|
10 |
Eu |
1258 |
1251 |
0.994 |
129 |
925 |
|
|
11 |
Eu |
484 |
523 |
1.081 |
129 |
926 |
|
|
12 |
Eu |
206 |
216 |
1.047 |
129 |
927 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3167 |
2967 |
0.937 |
130 |
928 |
|
|
2 |
A' |
3151 |
2946 |
0.935 |
130 |
929 |
|
|
3 |
A' |
3078 |
2881 |
0.936 |
130 |
930 |
|
|
4 |
A' |
1551 |
1463 |
0.943 |
130 |
931 |
|
|
5 |
A' |
1537 |
1448 |
0.942 |
130 |
932 |
|
|
6 |
A' |
1473 |
1385 |
0.940 |
130 |
933 |
|
|
7 |
A' |
1349 |
1289 |
0.956 |
130 |
934 |
|
|
8 |
A' |
1126 |
1081 |
0.960 |
130 |
935 |
|
|
9 |
A' |
1025 |
974 |
0.950 |
130 |
936 |
|
|
10 |
A' |
627 |
677 |
1.079 |
130 |
937 |
|
|
11 |
A' |
329 |
336 |
1.021 |
130 |
938 |
|
|
12 |
A" |
3232 |
3014 |
0.933 |
130 |
939 |
|
|
13 |
A" |
3186 |
2986 |
0.937 |
130 |
940 |
|
|
14 |
A" |
1534 |
1448 |
0.944 |
130 |
941 |
|
|
15 |
A" |
1307 |
1251 |
0.957 |
130 |
942 |
|
|
16 |
A" |
1099 |
974 |
0.886 |
130 |
943 |
|
|
17 |
A" |
820 |
786 |
0.959 |
130 |
944 |
|
|
18 |
A" |
255 |
251 |
0.984 |
130 |
945 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3170 |
2957 |
0.933 |
131 |
946 |
|
|
1 |
A |
3223 |
3005 |
0.932 |
131 |
947 |
|
|
2 |
A |
3150 |
2957 |
0.939 |
131 |
948 |
|
|
2 |
Ag |
1538 |
1445 |
0.939 |
131 |
949 |
|
|
3 |
Ag |
1363 |
1304 |
0.956 |
131 |
950 |
|
|
3 |
A |
1514 |
1433 |
0.947 |
131 |
951 |
|
|
4 |
A |
1371 |
1315 |
0.959 |
131 |
952 |
|
|
4 |
Ag |
1114 |
1052 |
0.944 |
131 |
953 |
|
|
5 |
Ag |
724 |
754 |
1.041 |
131 |
954 |
|
|
5 |
A |
1254 |
1207 |
0.963 |
131 |
955 |
|
|
6 |
A |
1095 |
1027 |
0.938 |
131 |
956 |
|
|
6 |
Ag |
290 |
300 |
1.033 |
131 |
957 |
|
|
7 |
Au |
3267 |
3005 |
0.920 |
131 |
958 |
|
|
7 |
A |
974 |
948 |
0.973 |
131 |
959 |
|
|
8 |
A |
631 |
669 |
1.060 |
131 |
960 |
|
|
8 |
Au |
1163 |
1123 |
0.966 |
131 |
961 |
|
|
9 |
Au |
808 |
773 |
0.957 |
131 |
962 |
|
|
9 |
A |
262 |
272 |
1.037 |
131 |
963 |
|
|
10 |
A |
108 |
125 |
1.162 |
131 |
964 |
|
|
10 |
Au |
114 |
123 |
1.076 |
131 |
965 |
|
|
11 |
Bg |
3243 |
3005 |
0.926 |
131 |
966 |
|
|
11 |
B |
3237 |
3005 |
0.928 |
131 |
967 |
|
|
12 |
B |
3141 |
2957 |
0.941 |
131 |
968 |
|
|
12 |
Bg |
1330 |
1264 |
0.950 |
131 |
969 |
|
|
13 |
Bg |
1023 |
989 |
0.966 |
131 |
970 |
|
|
13 |
B |
1514 |
1436 |
0.948 |
131 |
971 |
|
|
14 |
B |
1355 |
1292 |
0.954 |
131 |
972 |
|
|
14 |
Bu |
3178 |
2983 |
0.939 |
131 |
973 |
|
|
15 |
Bu |
1536 |
1461 |
0.951 |
131 |
974 |
|
|
15 |
B |
1187 |
1146 |
0.966 |
131 |
975 |
|
|
16 |
B |
913 |
890 |
0.975 |
131 |
976 |
|
|
16 |
Bu |
1297 |
1232 |
0.950 |
131 |
977 |
|
|
17 |
Bu |
683 |
728 |
1.065 |
131 |
978 |
|
|
17 |
B |
653 |
693 |
1.061 |
131 |
979 |
|
|
18 |
B |
406 |
410 |
1.011 |
131 |
980 |
|
|
18 |
Bu |
208 |
222 |
1.070 |
131 |
981 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3102 |
2951 |
0.951 |
132 |
982 |
|
|
2 |
A1 |
1478 |
1386 |
0.938 |
132 |
983 |
|
|
3 |
A1 |
1127 |
1075 |
0.954 |
132 |
984 |
|
|
4 |
A1 |
505 |
526 |
1.041 |
132 |
985 |
|
|
5 |
A1 |
335 |
344 |
1.026 |
132 |
986 |
|
|
6 |
A2 |
303 |
214 |
0.706 |
132 |
987 |
|
|
7 |
E |
3206 |
3014 |
0.940 |
132 |
988 |
|
|
8 |
E |
1524 |
1457 |
0.956 |
132 |
989 |
|
|
9 |
E |
1145 |
1088 |
0.950 |
132 |
990 |
|
|
10 |
E |
679 |
724 |
1.067 |
132 |
991 |
|
|
11 |
E |
346 |
351 |
1.016 |
132 |
992 |
|
|
12 |
E |
234 |
239 |
1.021 |
132 |
993 |
C3H6 |
Cyclopropane |
1 |
A1' |
3199 |
3038 |
0.950 |
133 |
994 |
|
|
2 |
A1' |
1560 |
1479 |
0.948 |
133 |
995 |
|
|
3 |
A1' |
1250 |
1188 |
0.950 |
133 |
996 |
|
|
4 |
A1" |
1175 |
1126 |
0.958 |
133 |
997 |
|
|
5 |
A2' |
1159 |
1070 |
0.923 |
133 |
998 |
|
|
6 |
A2" |
3294 |
3103 |
0.942 |
133 |
999 |
|
|
7 |
A2" |
885 |
854 |
0.965 |
133 |
1000 |
|
|
8 |
E' |
3187 |
3025 |
0.949 |
133 |
1001 |
|
|
9 |
E' |
1525 |
1438 |
0.943 |
133 |
1002 |
|
|
10 |
E' |
1112 |
1029 |
0.926 |
133 |
1003 |
|
|
11 |
E' |
913 |
866 |
0.948 |
133 |
1004 |
|
|
12 |
E" |
3271 |
3082 |
0.942 |
133 |
1005 |
|
|
13 |
E" |
1246 |
1188 |
0.953 |
133 |
1006 |
|
|
14 |
E" |
780 |
739 |
0.947 |
133 |
1007 |
CH2CHCH3 |
Propene |
1 |
A' |
3280 |
3090 |
0.942 |
134 |
1008 |
|
|
2 |
A' |
3191 |
3013 |
0.944 |
134 |
1009 |
|
|
3 |
A' |
3179 |
2991 |
0.941 |
134 |
1010 |
|
|
4 |
A' |
3155 |
2954 |
0.936 |
134 |
1011 |
|
|
5 |
A' |
3056 |
2871 |
0.940 |
134 |
1012 |
|
|
6 |
A' |
1753 |
1650 |
0.941 |
134 |
1013 |
|
|
7 |
A' |
1545 |
1470 |
0.952 |
134 |
1014 |
|
|
8 |
A' |
1497 |
1420 |
0.949 |
134 |
1015 |
|
|
9 |
A' |
1465 |
1378 |
0.940 |
134 |
1016 |
|
|
10 |
A' |
1367 |
1297 |
0.949 |
134 |
1017 |
|
|
11 |
A' |
1232 |
1171 |
0.950 |
134 |
1018 |
|
|
12 |
A' |
985 |
963 |
0.978 |
134 |
1019 |
|
|
13 |
A' |
957 |
920 |
0.962 |
134 |
1020 |
|
|
14 |
A' |
437 |
428 |
0.980 |
134 |
1021 |
|
|
15 |
A" |
3122 |
2954 |
0.946 |
134 |
1022 |
|
|
16 |
A" |
1532 |
1443 |
0.942 |
134 |
1023 |
|
|
17 |
A" |
1112 |
1045 |
0.940 |
134 |
1024 |
|
|
18 |
A" |
1053 |
991 |
0.941 |
134 |
1025 |
|
|
19 |
A" |
985 |
912 |
0.926 |
134 |
1026 |
|
|
20 |
A" |
607 |
578 |
0.953 |
134 |
1027 |
|
|
21 |
A" |
201 |
174 |
0.865 |
134 |
1028 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3764 |
3523 |
0.936 |
135 |
1029 |
|
|
2 |
A' |
3357 |
3155 |
0.940 |
135 |
1030 |
|
|
3 |
A' |
3339 |
3137 |
0.940 |
135 |
1031 |
|
|
4 |
A' |
3328 |
3126 |
0.939 |
135 |
1032 |
|
|
5 |
A' |
1593 |
1531 |
0.961 |
135 |
1033 |
|
|
6 |
A' |
1504 |
1447 |
0.962 |
135 |
1034 |
|
|
7 |
A' |
1455 |
1395 |
0.959 |
135 |
1035 |
|
|
8 |
A' |
1409 |
1358 |
0.964 |
135 |
1036 |
|
|
9 |
A' |
1306 |
1254 |
0.960 |
135 |
1037 |
|
|
10 |
A' |
1191 |
1159 |
0.973 |
135 |
1038 |
|
|
11 |
A' |
1173 |
1121 |
0.956 |
135 |
1039 |
|
|
12 |
A' |
1093 |
1054 |
0.964 |
135 |
1040 |
|
|
13 |
A' |
1048 |
1009 |
0.963 |
135 |
1041 |
|
|
14 |
A' |
965 |
924 |
0.958 |
135 |
1042 |
|
|
15 |
A' |
948 |
908 |
0.958 |
135 |
1043 |
|
|
16 |
A" |
946 |
879 |
0.929 |
135 |
1044 |
|
|
17 |
A" |
891 |
833 |
0.935 |
135 |
1045 |
|
|
18 |
A" |
793 |
745 |
0.939 |
135 |
1046 |
|
|
19 |
A" |
707 |
674 |
0.953 |
135 |
1047 |
|
|
20 |
A" |
672 |
623 |
0.927 |
135 |
1048 |
|
|
21 |
A" |
643 |
516 |
0.803 |
135 |
1049 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3735 |
3517 |
0.942 |
136 |
1050 |
|
|
2 |
A' |
3364 |
3143 |
0.934 |
136 |
1051 |
|
|
3 |
A' |
3348 |
3123 |
0.933 |
136 |
1052 |
|
|
4 |
A' |
3338 |
3110 |
0.932 |
136 |
1053 |
|
|
5 |
A' |
1583 |
1448 |
0.915 |
136 |
1054 |
|
|
6 |
A' |
1517 |
1404 |
0.925 |
136 |
1055 |
|
|
7 |
A' |
1457 |
1328 |
0.912 |
136 |
1056 |
|
|
8 |
A' |
1386 |
1265 |
0.913 |
136 |
1057 |
|
|
9 |
A' |
1303 |
1188 |
0.912 |
136 |
1058 |
|
|
10 |
A' |
1187 |
1098 |
0.925 |
136 |
1059 |
|
|
11 |
A' |
1166 |
1062 |
0.911 |
136 |
1060 |
|
|
12 |
A' |
1131 |
1013 |
0.896 |
136 |
1061 |
|
|
13 |
A' |
1091 |
988 |
0.906 |
136 |
1062 |
|
|
14 |
A' |
966 |
923 |
0.955 |
136 |
1063 |
|
|
15 |
A' |
929 |
898 |
0.967 |
136 |
1064 |
|
|
16 |
A" |
915 |
831 |
0.909 |
136 |
1065 |
|
|
17 |
A" |
840 |
758 |
0.903 |
136 |
1066 |
|
|
18 |
A" |
776 |
674 |
0.869 |
136 |
1067 |
|
|
19 |
A" |
692 |
663 |
0.957 |
136 |
1068 |
|
|
20 |
A" |
682 |
621 |
0.911 |
136 |
1069 |
|
|
21 |
A" |
649 |
539 |
0.830 |
136 |
1070 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3293 |
3042 |
0.924 |
137 |
1071 |
|
|
2 |
A1' |
1172 |
1132 |
0.966 |
137 |
1072 |
|
|
3 |
A1' |
998 |
992 |
0.994 |
137 |
1073 |
|
|
4 |
A2' |
1417 |
1278 |
0.902 |
137 |
1074 |
|
|
5 |
A2' |
1172 |
1068 |
0.911 |
137 |
1075 |
|
|
6 |
A2" |
959 |
925 |
0.965 |
137 |
1076 |
|
|
7 |
A2" |
779 |
737 |
0.946 |
137 |
1077 |
|
|
8 |
E' |
3284 |
3056 |
0.931 |
137 |
1078 |
|
|
9 |
E' |
1578 |
1555 |
0.985 |
137 |
1079 |
|
|
10 |
E' |
1449 |
1410 |
0.973 |
137 |
1080 |
|
|
11 |
E' |
1186 |
1176 |
0.991 |
137 |
1081 |
|
|
12 |
E' |
692 |
657 |
0.950 |
137 |
1082 |
|
|
13 |
E" |
1045 |
830 |
0.794 |
137 |
1083 |
|
|
14 |
E" |
368 |
340 |
0.925 |
137 |
1084 |
CH3CH2OH |
Ethanol |
1 |
A' |
3714 |
3653 |
0.984 |
138 |
1085 |
|
|
2 |
A' |
3173 |
2984 |
0.940 |
138 |
1086 |
|
|
3 |
A' |
3084 |
2939 |
0.953 |
138 |
1087 |
|
|
4 |
A' |
3027 |
2900 |
0.958 |
138 |
1088 |
|
|
5 |
A' |
1578 |
1490 |
0.945 |
138 |
1089 |
|
|
6 |
A' |
1554 |
1464 |
0.942 |
138 |
1090 |
|
|
7 |
A' |
1479 |
1412 |
0.954 |
138 |
1091 |
|
|
8 |
A' |
1458 |
1371 |
0.940 |
138 |
1092 |
|
|
9 |
A' |
1285 |
1256 |
0.978 |
138 |
1093 |
|
|
10 |
A' |
1127 |
1091 |
0.968 |
138 |
1094 |
|
|
11 |
A' |
1056 |
1028 |
0.973 |
138 |
1095 |
|
|
12 |
A' |
916 |
888 |
0.969 |
138 |
1096 |
|
|
13 |
A' |
418 |
417 |
0.997 |
138 |
1097 |
|
|
14 |
A" |
3183 |
2991 |
0.940 |
138 |
1098 |
|
|
15 |
A" |
3066 |
2910 |
0.949 |
138 |
1099 |
|
|
16 |
A" |
1534 |
1446 |
0.942 |
138 |
1100 |
|
|
17 |
A" |
1325 |
1275 |
0.962 |
138 |
1101 |
|
|
18 |
A" |
1198 |
1161 |
0.969 |
138 |
1102 |
|
|
19 |
A" |
854 |
812 |
0.950 |
138 |
1103 |
|
|
20 |
A" |
305 |
251 |
0.823 |
138 |
1104 |
|
|
21 |
A" |
243 |
200 |
0.823 |
138 |
1105 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3198 |
2996 |
0.937 |
139 |
1106 |
|
|
2 |
A1 |
3028 |
2817 |
0.930 |
139 |
1107 |
|
|
3 |
A1 |
1564 |
1464 |
0.936 |
139 |
1108 |
|
|
4 |
A1 |
1522 |
1452 |
0.954 |
139 |
1109 |
|
|
5 |
A1 |
1267 |
1244 |
0.982 |
139 |
1110 |
|
|
6 |
A1 |
912 |
928 |
1.018 |
139 |
1111 |
|
|
7 |
A1 |
400 |
418 |
1.045 |
139 |
1112 |
|
|
8 |
A2 |
3089 |
2952 |
0.956 |
139 |
1113 |
|
|
9 |
A2 |
1531 |
1464 |
0.956 |
139 |
1114 |
|
|
10 |
A2 |
1163 |
1150 |
0.988 |
139 |
1115 |
|
|
11 |
A2 |
216 |
203 |
0.938 |
139 |
1116 |
|
|
12 |
B1 |
3086 |
2925 |
0.948 |
139 |
1117 |
|
|
13 |
B1 |
1540 |
1464 |
0.951 |
139 |
1118 |
|
|
14 |
B1 |
1194 |
1179 |
0.988 |
139 |
1119 |
|
|
15 |
B1 |
235 |
242 |
1.030 |
139 |
1120 |
|
|
16 |
B2 |
3195 |
2996 |
0.938 |
139 |
1121 |
|
|
17 |
B2 |
3018 |
2817 |
0.933 |
139 |
1122 |
|
|
18 |
B2 |
1545 |
1464 |
0.947 |
139 |
1123 |
|
|
19 |
B2 |
1493 |
1452 |
0.972 |
139 |
1124 |
|
|
20 |
B2 |
1190 |
1227 |
1.031 |
139 |
1125 |
|
|
21 |
B2 |
1110 |
1102 |
0.993 |
139 |
1126 |
C4H4O |
Furan |
1 |
A1 |
3380 |
3161 |
0.935 |
140 |
1127 |
|
|
2 |
A1 |
3333 |
3140 |
0.942 |
140 |
1128 |
|
|
3 |
A1 |
1530 |
1491 |
0.975 |
140 |
1129 |
|
|
4 |
A1 |
1438 |
1384 |
0.962 |
140 |
1130 |
|
|
5 |
A1 |
1181 |
1140 |
0.966 |
140 |
1131 |
|
|
6 |
A1 |
1102 |
1066 |
0.967 |
140 |
1132 |
|
|
7 |
A1 |
1021 |
995 |
0.974 |
140 |
1133 |
|
|
8 |
A1 |
893 |
871 |
0.976 |
140 |
1134 |
|
|
9 |
A2 |
936 |
838 |
0.895 |
140 |
1135 |
|
|
10 |
A2 |
770 |
728 |
0.945 |
140 |
1136 |
|
|
11 |
A2 |
624 |
603 |
0.966 |
140 |
1137 |
|
|
12 |
B1 |
894 |
863 |
0.966 |
140 |
1138 |
|
|
13 |
B1 |
783 |
745 |
0.952 |
140 |
1139 |
|
|
14 |
B1 |
623 |
613 |
0.984 |
140 |
1140 |
|
|
15 |
B2 |
3371 |
3154 |
0.936 |
140 |
1141 |
|
|
16 |
B2 |
3320 |
3129 |
0.943 |
140 |
1142 |
|
|
17 |
B2 |
1625 |
1556 |
0.958 |
140 |
1143 |
|
|
18 |
B2 |
1309 |
1267 |
0.968 |
140 |
1144 |
|
|
19 |
B2 |
1210 |
1180 |
0.975 |
140 |
1145 |
|
|
20 |
B2 |
1070 |
1040 |
0.972 |
140 |
1146 |
|
|
21 |
B2 |
906 |
873 |
0.963 |
140 |
1147 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3161 |
3001 |
0.949 |
141 |
1148 |
|
|
2 |
A' |
3143 |
2935 |
0.934 |
141 |
1149 |
|
|
3 |
A' |
1893 |
1882 |
0.994 |
141 |
1150 |
|
|
4 |
A' |
1561 |
1475 |
0.945 |
141 |
1151 |
|
|
5 |
A' |
1505 |
1427 |
0.948 |
141 |
1152 |
|
|
6 |
A' |
1347 |
1319 |
0.979 |
141 |
1153 |
|
|
7 |
A' |
1280 |
1199 |
0.936 |
141 |
1154 |
|
|
8 |
A' |
1094 |
1093 |
0.999 |
141 |
1155 |
|
|
9 |
A' |
1030 |
1005 |
0.976 |
141 |
1156 |
|
|
10 |
A' |
914 |
924 |
1.011 |
141 |
1157 |
|
|
11 |
A' |
893 |
891 |
0.998 |
141 |
1158 |
|
|
12 |
A' |
745 |
746 |
1.001 |
141 |
1159 |
|
|
13 |
A' |
488 |
513 |
1.052 |
141 |
1160 |
|
|
14 |
A" |
3239 |
3028 |
0.935 |
141 |
1161 |
|
|
15 |
A" |
3207 |
3000 |
0.935 |
141 |
1162 |
|
|
16 |
A" |
1231 |
1184 |
0.962 |
141 |
1163 |
|
|
17 |
A" |
1142 |
1139 |
0.997 |
141 |
1164 |
|
|
18 |
A" |
1093 |
1046 |
0.957 |
141 |
1165 |
|
|
19 |
A" |
830 |
790 |
0.951 |
141 |
1166 |
|
|
20 |
A" |
516 |
490 |
0.950 |
141 |
1167 |
|
|
21 |
A" |
185 |
113 |
0.612 |
141 |
1168 |
CH3CH2SH |
ethanethiol |
1 |
A' |
3164 |
2966 |
0.937 |
142 |
1169 |
|
|
1 |
A |
3197 |
2980 |
0.932 |
142 |
1170 |
|
|
2 |
A |
3169 |
2967 |
0.936 |
142 |
1171 |
|
|
2 |
A' |
3120 |
2872 |
0.920 |
142 |
1172 |
|
|
3 |
A' |
3079 |
2872 |
0.933 |
142 |
1173 |
|
|
3 |
A |
3150 |
2930 |
0.930 |
142 |
1174 |
|
|
4 |
A |
3124 |
2902 |
0.929 |
142 |
1175 |
|
|
4 |
A' |
2553 |
2580 |
1.011 |
142 |
1176 |
|
|
5 |
A' |
1555 |
1453 |
0.934 |
142 |
1177 |
|
|
5 |
A |
3070 |
2875 |
0.937 |
142 |
1178 |
|
|
6 |
A |
2550 |
2591 |
1.016 |
142 |
1179 |
|
|
6 |
A' |
1537 |
1453 |
0.945 |
142 |
1180 |
|
|
7 |
A' |
1473 |
1385 |
0.940 |
142 |
1181 |
|
|
7 |
A |
1551 |
1462 |
0.943 |
142 |
1182 |
|
|
8 |
A |
1542 |
1452 |
0.941 |
142 |
1183 |
|
|
8 |
A' |
1344 |
1309 |
0.974 |
142 |
1184 |
|
|
9 |
A' |
1140 |
1097 |
0.962 |
142 |
1185 |
|
|
9 |
A |
1531 |
1437 |
0.938 |
142 |
1186 |
|
|
10 |
A |
1471 |
1377 |
0.936 |
142 |
1187 |
|
|
10 |
A' |
1037 |
978 |
0.943 |
142 |
1188 |
|
|
11 |
A' |
841 |
870 |
1.034 |
142 |
1189 |
|
|
11 |
A |
1343 |
1269 |
0.945 |
142 |
1190 |
|
|
12 |
A |
1313 |
1246 |
0.949 |
142 |
1191 |
|
|
12 |
A' |
646 |
660 |
1.022 |
142 |
1192 |
|
|
13 |
A' |
304 |
332 |
1.092 |
142 |
1193 |
|
|
13 |
A |
1145 |
1093 |
0.955 |
142 |
1194 |
|
|
14 |
A |
1103 |
1051 |
0.953 |
142 |
1195 |
|
|
14 |
A" |
3196 |
2966 |
0.928 |
142 |
1196 |
|
|
15 |
A" |
3167 |
2930 |
0.925 |
142 |
1197 |
|
|
15 |
A |
1030 |
970 |
0.942 |
142 |
1198 |
|
|
16 |
A |
877 |
867 |
0.989 |
142 |
1199 |
|
|
16 |
A" |
1545 |
1453 |
0.941 |
142 |
1200 |
|
|
17 |
A" |
1308 |
1269 |
0.970 |
142 |
1201 |
|
|
17 |
A |
757 |
735 |
0.971 |
142 |
1202 |
|
|
18 |
A |
637 |
658 |
1.033 |
142 |
1203 |
|
|
18 |
A" |
1081 |
1049 |
0.971 |
142 |
1204 |
|
|
19 |
A" |
822 |
745 |
0.906 |
142 |
1205 |
|
|
19 |
A |
327 |
319 |
0.974 |
142 |
1206 |
|
|
20 |
A |
260 |
|
|
142 |
1207 |
|
|
21 |
A |
199 |
|
|
142 |
1208 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3220 |
2997 |
0.931 |
143 |
1209 |
|
|
2 |
A1 |
3096 |
2925 |
0.945 |
143 |
1210 |
|
|
3 |
A1 |
1535 |
1447 |
0.943 |
143 |
1211 |
|
|
4 |
A1 |
1420 |
1337 |
0.941 |
143 |
1212 |
|
|
5 |
A1 |
1087 |
1030 |
0.948 |
143 |
1213 |
|
|
6 |
A1 |
668 |
695 |
1.040 |
143 |
1214 |
|
|
7 |
A1 |
251 |
280 |
1.117 |
143 |
1215 |
|
|
8 |
A2 |
3204 |
2970 |
0.927 |
143 |
1216 |
|
|
9 |
A2 |
1516 |
1427 |
0.941 |
143 |
1217 |
|
|
10 |
A2 |
989 |
946 |
0.957 |
143 |
1218 |
|
|
11 |
A2 |
162 |
175 |
1.082 |
143 |
1219 |
|
|
12 |
B1 |
3200 |
2970 |
0.928 |
143 |
1220 |
|
|
13 |
B1 |
1526 |
1439 |
0.943 |
143 |
1221 |
|
|
14 |
B1 |
1024 |
973 |
0.951 |
143 |
1222 |
|
|
15 |
B1 |
163 |
183 |
1.121 |
143 |
1223 |
|
|
16 |
B2 |
3221 |
2999 |
0.931 |
143 |
1224 |
|
|
17 |
B2 |
3098 |
2919 |
0.942 |
143 |
1225 |
|
|
18 |
B2 |
1525 |
1442 |
0.946 |
143 |
1226 |
|
|
19 |
B2 |
1396 |
1315 |
0.942 |
143 |
1227 |
|
|
20 |
B2 |
956 |
903 |
0.945 |
143 |
1228 |
|
|
21 |
B2 |
720 |
742 |
1.031 |
143 |
1229 |
C4H4S |
Thiophene |
1 |
A1 |
3342 |
3126 |
0.935 |
144 |
1230 |
|
|
2 |
A1 |
3284 |
3098 |
0.943 |
144 |
1231 |
|
|
3 |
A1 |
1521 |
1409 |
0.926 |
144 |
1232 |
|
|
4 |
A1 |
1419 |
1360 |
0.958 |
144 |
1233 |
|
|
5 |
A1 |
1148 |
1083 |
0.944 |
144 |
1234 |
|
|
6 |
A1 |
1072 |
1036 |
0.967 |
144 |
1235 |
|
|
7 |
A1 |
819 |
872 |
1.065 |
144 |
1236 |
|
|
8 |
A1 |
613 |
608 |
0.992 |
144 |
1237 |
|
|
9 |
A2 |
973 |
867 |
0.891 |
144 |
1238 |
|
|
10 |
A2 |
738 |
688 |
0.932 |
144 |
1239 |
|
|
11 |
A2 |
590 |
567 |
0.960 |
144 |
1240 |
|
|
12 |
B1 |
932 |
839 |
0.900 |
144 |
1241 |
|
|
13 |
B1 |
754 |
712 |
0.944 |
144 |
1242 |
|
|
14 |
B1 |
450 |
452 |
1.005 |
144 |
1243 |
|
|
15 |
B2 |
3338 |
3125 |
0.936 |
144 |
1244 |
|
|
16 |
B2 |
3268 |
3086 |
0.944 |
144 |
1245 |
|
|
17 |
B2 |
1615 |
1504 |
0.931 |
144 |
1246 |
|
|
18 |
B2 |
1312 |
1256 |
0.957 |
144 |
1247 |
|
|
19 |
B2 |
1147 |
1085 |
0.946 |
144 |
1248 |
|
|
20 |
B2 |
887 |
903 |
1.018 |
144 |
1249 |
|
|
21 |
B2 |
722 |
751 |
1.040 |
144 |
1250 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3291 |
3087 |
0.938 |
145 |
1251 |
|
|
2 |
Ag |
3197 |
3003 |
0.939 |
145 |
1252 |
|
|
3 |
Ag |
3181 |
2992 |
0.941 |
145 |
1253 |
|
|
4 |
Ag |
1752 |
1630 |
0.931 |
145 |
1254 |
|
|
5 |
Ag |
1521 |
1438 |
0.945 |
145 |
1255 |
|
|
6 |
Ag |
1354 |
1280 |
0.945 |
145 |
1256 |
|
|
7 |
Ag |
1272 |
1196 |
0.940 |
145 |
1257 |
|
|
8 |
Ag |
925 |
894 |
0.967 |
145 |
1258 |
|
|
9 |
Ag |
531 |
512 |
0.965 |
145 |
1259 |
|
|
10 |
Au |
1082 |
1013 |
0.936 |
145 |
1260 |
|
|
11 |
Au |
981 |
908 |
0.925 |
145 |
1261 |
|
|
12 |
Au |
548 |
522 |
0.953 |
145 |
1262 |
|
|
13 |
Au |
176 |
162 |
0.918 |
145 |
1263 |
|
|
14 |
Bg |
1035 |
976 |
0.943 |
145 |
1264 |
|
|
15 |
Bg |
980 |
912 |
0.931 |
145 |
1265 |
|
|
16 |
Bg |
799 |
770 |
0.964 |
145 |
1266 |
|
|
17 |
Bu |
3292 |
3101 |
0.942 |
145 |
1267 |
|
|
18 |
Bu |
3199 |
3055 |
0.955 |
145 |
1268 |
|
|
19 |
Bu |
3190 |
2984 |
0.935 |
145 |
1269 |
|
|
20 |
Bu |
1692 |
1596 |
0.943 |
145 |
1270 |
|
|
21 |
Bu |
1464 |
1381 |
0.944 |
145 |
1271 |
|
|
22 |
Bu |
1364 |
1294 |
0.949 |
145 |
1272 |
|
|
23 |
Bu |
1039 |
990 |
0.953 |
145 |
1273 |
|
|
24 |
Bu |
300 |
301 |
1.002 |
145 |
1274 |
CHCCH2CH3 |
1-Butyne |
1 |
A' |
3537 |
3332 |
0.942 |
146 |
1275 |
|
|
2 |
A' |
3172 |
2988 |
0.942 |
146 |
1276 |
|
|
3 |
A' |
3082 |
|
|
146 |
1277 |
|
|
4 |
A' |
3063 |
|
|
146 |
1278 |
|
|
5 |
A' |
2253 |
2116 |
0.939 |
146 |
1279 |
|
|
6 |
A' |
1555 |
1470 |
0.945 |
146 |
1280 |
|
|
7 |
A' |
1533 |
1446 |
0.943 |
146 |
1281 |
|
|
8 |
A' |
1465 |
1385 |
0.945 |
146 |
1282 |
|
|
9 |
A' |
1391 |
1322 |
0.950 |
146 |
1283 |
|
|
10 |
A' |
1127 |
1070 |
0.950 |
146 |
1284 |
|
|
11 |
A' |
1062 |
1008 |
0.949 |
146 |
1285 |
|
|
12 |
A' |
870 |
840 |
0.965 |
146 |
1286 |
|
|
13 |
A' |
707 |
634 |
0.897 |
146 |
1287 |
|
|
14 |
A' |
539 |
509 |
0.945 |
146 |
1288 |
|
|
15 |
A' |
211 |
197 |
0.930 |
146 |
1289 |
|
|
16 |
A" |
3178 |
2988 |
0.940 |
146 |
1290 |
|
|
17 |
A" |
3102 |
2939 |
0.948 |
146 |
1291 |
|
|
18 |
A" |
1547 |
1462 |
0.945 |
146 |
1292 |
|
|
19 |
A" |
1324 |
1261 |
0.953 |
146 |
1293 |
|
|
20 |
A" |
1150 |
1090 |
0.947 |
146 |
1294 |
|
|
21 |
A" |
823 |
782 |
0.950 |
146 |
1295 |
|
|
22 |
A" |
697 |
630 |
0.904 |
146 |
1296 |
|
|
23 |
A" |
378 |
344 |
0.909 |
146 |
1297 |
|
|
24 |
A" |
223 |
213 |
0.956 |
146 |
1298 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3061 |
2916 |
0.953 |
147 |
1299 |
|
|
2 |
A1' |
2407 |
2240 |
0.930 |
147 |
1300 |
|
|
3 |
A1' |
1476 |
1380 |
0.935 |
147 |
1301 |
|
|
4 |
A1' |
746 |
725 |
0.972 |
147 |
1302 |
|
|
6 |
A2" |
3061 |
2938 |
0.960 |
147 |
1303 |
|
|
7 |
A2" |
1472 |
1382 |
0.939 |
147 |
1304 |
|
|
8 |
A2" |
1214 |
1152 |
0.949 |
147 |
1305 |
|
|
9 |
E' |
3138 |
2973 |
0.947 |
147 |
1306 |
|
|
10 |
E' |
1534 |
1456 |
0.949 |
147 |
1307 |
|
|
11 |
E' |
1110 |
1054 |
0.950 |
147 |
1308 |
|
|
12 |
E' |
209 |
213 |
1.020 |
147 |
1309 |
|
|
13 |
E" |
3138 |
2966 |
0.945 |
147 |
1310 |
|
|
14 |
E" |
1534 |
1448 |
0.944 |
147 |
1311 |
|
|
15 |
E" |
1086 |
1029 |
0.948 |
147 |
1312 |
|
|
16 |
E" |
408 |
371 |
0.910 |
147 |
1313 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3186 |
3061 |
0.961 |
148 |
1314 |
|
|
2 |
A' |
3177 |
3010 |
0.947 |
148 |
1315 |
|
|
3 |
A' |
3169 |
2965 |
0.936 |
148 |
1316 |
|
|
4 |
A' |
3063 |
2905 |
0.948 |
148 |
1317 |
|
|
5 |
A' |
2112 |
1970 |
0.933 |
148 |
1318 |
|
|
6 |
A' |
1551 |
1453 |
0.937 |
148 |
1319 |
|
|
7 |
A' |
1521 |
1437 |
0.945 |
148 |
1320 |
|
|
8 |
A' |
1461 |
1389 |
0.950 |
148 |
1321 |
|
|
9 |
A' |
1409 |
1330 |
0.944 |
148 |
1322 |
|
|
10 |
A' |
1191 |
1132 |
0.950 |
148 |
1323 |
|
|
11 |
A' |
1131 |
1074 |
0.950 |
148 |
1324 |
|
|
12 |
A' |
936 |
876 |
0.936 |
148 |
1325 |
|
|
13 |
A' |
905 |
859 |
0.949 |
148 |
1326 |
|
|
14 |
A' |
588 |
555 |
0.944 |
148 |
1327 |
|
|
15 |
A' |
216 |
210 |
0.970 |
148 |
1328 |
|
|
16 |
A" |
3256 |
3061 |
0.940 |
148 |
1329 |
|
|
17 |
A" |
3131 |
2965 |
0.947 |
148 |
1330 |
|
|
18 |
A" |
1536 |
1453 |
0.946 |
148 |
1331 |
|
|
19 |
A" |
1100 |
1110 |
1.009 |
148 |
1332 |
|
|
20 |
A" |
1067 |
1011 |
0.948 |
148 |
1333 |
|
|
21 |
A" |
927 |
842 |
0.908 |
148 |
1334 |
|
|
22 |
A" |
561 |
523 |
0.932 |
148 |
1335 |
|
|
23 |
A" |
348 |
322 |
0.926 |
148 |
1336 |
C4H6 |
Cyclobutene |
1 |
A1 |
3289 |
3060 |
0.930 |
149 |
1337 |
|
|
2 |
A1 |
3097 |
2935 |
0.948 |
149 |
1338 |
|
|
3 |
A1 |
1663 |
1570 |
0.944 |
149 |
1339 |
|
|
4 |
A1 |
1534 |
1450 |
0.945 |
149 |
1340 |
|
|
5 |
A1 |
1248 |
1276 |
1.022 |
149 |
1341 |
|
|
6 |
A1 |
1160 |
1186 |
1.023 |
149 |
1342 |
|
|
7 |
A1 |
1031 |
1113 |
1.080 |
149 |
1343 |
|
|
8 |
A1 |
913 |
886 |
0.971 |
149 |
1344 |
|
|
9 |
A2 |
3140 |
2955 |
0.941 |
149 |
1345 |
|
|
10 |
A2 |
1196 |
1276 |
1.067 |
149 |
1346 |
|
|
11 |
A2 |
1075 |
1081 |
1.005 |
149 |
1347 |
|
|
12 |
A2 |
970 |
850 |
0.876 |
149 |
1348 |
|
|
13 |
A2 |
330 |
325 |
0.984 |
149 |
1349 |
|
|
14 |
B1 |
3156 |
2955 |
0.936 |
149 |
1350 |
|
|
15 |
B1 |
1130 |
1074 |
0.951 |
149 |
1351 |
|
|
16 |
B1 |
895 |
846 |
0.945 |
149 |
1352 |
|
|
17 |
B1 |
687 |
635 |
0.924 |
149 |
1353 |
|
|
18 |
B2 |
3251 |
3047 |
0.937 |
149 |
1354 |
|
|
19 |
B2 |
3089 |
2916 |
0.944 |
149 |
1355 |
|
|
20 |
B2 |
1518 |
1427 |
0.940 |
149 |
1356 |
|
|
21 |
B2 |
1348 |
1294 |
0.960 |
149 |
1357 |
|
|
22 |
B2 |
1286 |
1214 |
0.944 |
149 |
1358 |
|
|
23 |
B2 |
922 |
888 |
0.963 |
149 |
1359 |
|
|
24 |
B2 |
884 |
740 |
0.837 |
149 |
1360 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3184 |
3010 |
0.945 |
150 |
1361 |
|
|
2 |
A1 |
3171 |
3002 |
0.947 |
150 |
1362 |
|
|
3 |
A1 |
1892 |
1743 |
0.921 |
150 |
1363 |
|
|
4 |
A1 |
1529 |
1437 |
0.940 |
150 |
1364 |
|
|
5 |
A1 |
1496 |
1410 |
0.942 |
150 |
1365 |
|
|
6 |
A1 |
1100 |
1036 |
0.942 |
150 |
1366 |
|
|
7 |
A1 |
1090 |
1002 |
0.919 |
150 |
1367 |
|
|
8 |
A1 |
759 |
723 |
0.952 |
150 |
1368 |
|
|
9 |
A2 |
3247 |
3051 |
0.940 |
150 |
1369 |
|
|
10 |
A2 |
1198 |
1144 |
0.955 |
150 |
1370 |
|
|
11 |
A2 |
992 |
937 |
0.944 |
150 |
1371 |
|
|
12 |
A2 |
647 |
616 |
0.953 |
150 |
1372 |
|
|
13 |
B1 |
3261 |
3071 |
0.942 |
150 |
1373 |
|
|
14 |
B1 |
1132 |
1072 |
0.947 |
150 |
1374 |
|
|
15 |
B1 |
970 |
889 |
0.917 |
150 |
1375 |
|
|
16 |
B1 |
790 |
748 |
0.947 |
150 |
1376 |
|
|
17 |
B1 |
312 |
360 |
1.154 |
150 |
1377 |
|
|
18 |
B2 |
3272 |
3086 |
0.943 |
150 |
1378 |
|
|
19 |
B2 |
3167 |
2999 |
0.947 |
150 |
1379 |
|
|
20 |
B2 |
1501 |
1353 |
0.901 |
150 |
1380 |
|
|
21 |
B2 |
1185 |
1174 |
0.991 |
150 |
1381 |
|
|
22 |
B2 |
1141 |
1125 |
0.986 |
150 |
1382 |
|
|
23 |
B2 |
925 |
792 |
0.856 |
150 |
1383 |
|
|
24 |
B2 |
369 |
290 |
0.787 |
150 |
1384 |
C4H6 |
Bicyclo[1.1.0]butane |
1 |
A1 |
3335 |
3131 |
0.939 |
151 |
1385 |
|
|
2 |
A1 |
3236 |
3044 |
0.941 |
151 |
1386 |
|
|
3 |
A1 |
3131 |
2935 |
0.938 |
151 |
1387 |
|
|
4 |
A1 |
1570 |
1501 |
0.956 |
151 |
1388 |
|
|
5 |
A1 |
1318 |
1266 |
0.961 |
151 |
1389 |
|
|
6 |
A1 |
1137 |
1081 |
0.950 |
151 |
1390 |
|
|
7 |
A1 |
875 |
839 |
0.958 |
151 |
1391 |
|
|
8 |
A1 |
763 |
657 |
0.861 |
151 |
1392 |
|
|
9 |
A1 |
442 |
423 |
0.956 |
151 |
1393 |
|
|
10 |
A2 |
1213 |
1172 |
0.966 |
151 |
1394 |
|
|
11 |
A2 |
1132 |
1063 |
0.939 |
151 |
1395 |
|
|
12 |
A2 |
958 |
909 |
0.949 |
151 |
1396 |
|
|
13 |
A2 |
863 |
838 |
0.971 |
151 |
1397 |
|
|
14 |
B1 |
3317 |
3120 |
0.941 |
151 |
1398 |
|
|
15 |
B1 |
1197 |
1110 |
0.928 |
151 |
1399 |
|
|
16 |
B1 |
1176 |
1092 |
0.929 |
151 |
1400 |
|
|
17 |
B1 |
1042 |
980 |
0.940 |
151 |
1401 |
|
|
18 |
B1 |
779 |
737 |
0.946 |
151 |
1402 |
|
|
19 |
B2 |
3237 |
3044 |
0.940 |
151 |
1403 |
|
|
20 |
B2 |
3134 |
2969 |
0.947 |
151 |
1404 |
|
|
21 |
B2 |
1537 |
1485 |
0.966 |
151 |
1405 |
|
|
22 |
B2 |
1338 |
1261 |
0.943 |
151 |
1406 |
|
|
23 |
B2 |
1115 |
1081 |
0.969 |
151 |
1407 |
|
|
24 |
B2 |
980 |
935 |
0.954 |
151 |
1408 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3596 |
3345 |
0.930 |
152 |
1409 |
|
|
2 |
A' |
3146 |
2985 |
0.949 |
152 |
1410 |
|
|
3 |
A' |
3073 |
2840 |
0.924 |
152 |
1411 |
|
|
4 |
A' |
3057 |
2860 |
0.936 |
152 |
1412 |
|
|
5 |
A' |
1723 |
1622 |
0.941 |
152 |
1413 |
|
|
6 |
A' |
1552 |
1487 |
0.958 |
152 |
1414 |
|
|
7 |
A' |
1537 |
1465 |
0.953 |
152 |
1415 |
|
|
8 |
A' |
1456 |
1378 |
0.947 |
152 |
1416 |
|
|
9 |
A' |
1421 |
1397 |
0.983 |
152 |
1417 |
|
|
10 |
A' |
1183 |
1016 |
0.859 |
152 |
1418 |
|
|
11 |
A' |
1097 |
1086 |
0.990 |
152 |
1419 |
|
|
12 |
A' |
916 |
892 |
0.974 |
152 |
1420 |
|
|
13 |
A' |
599 |
773 |
1.291 |
152 |
1421 |
|
|
14 |
A' |
404 |
403 |
0.997 |
152 |
1422 |
|
|
15 |
A" |
3718 |
3412 |
0.918 |
152 |
1423 |
|
|
16 |
A" |
3151 |
2924 |
0.928 |
152 |
1424 |
|
|
17 |
A" |
3114 |
2906 |
0.933 |
152 |
1425 |
|
|
18 |
A" |
1545 |
1455 |
0.942 |
152 |
1426 |
|
|
19 |
A" |
1406 |
1238 |
0.881 |
152 |
1427 |
|
|
20 |
A" |
1297 |
1293 |
0.997 |
152 |
1428 |
|
|
21 |
A" |
1018 |
1117 |
1.097 |
152 |
1429 |
|
|
22 |
A" |
797 |
816 |
1.024 |
152 |
1430 |
|
|
23 |
A" |
279 |
259 |
0.930 |
152 |
1431 |
|
|
24 |
A" |
251 |
218 |
0.869 |
152 |
1432 |
C4H5N |
Pyrrole |
1 |
A1 |
3745 |
3531 |
0.943 |
153 |
1433 |
|
|
2 |
A1 |
3341 |
3149 |
0.942 |
153 |
1434 |
|
|
3 |
A1 |
3313 |
3128 |
0.944 |
153 |
1435 |
|
|
4 |
A1 |
1532 |
1472 |
0.961 |
153 |
1436 |
|
|
5 |
A1 |
1462 |
1401 |
0.958 |
153 |
1437 |
|
|
6 |
A1 |
1195 |
1148 |
0.961 |
153 |
1438 |
|
|
7 |
A1 |
1132 |
1075 |
0.949 |
153 |
1439 |
|
|
8 |
A1 |
1064 |
1017 |
0.956 |
153 |
1440 |
|
|
9 |
A1 |
929 |
882 |
0.949 |
153 |
1441 |
|
|
10 |
A2 |
934 |
864 |
0.925 |
153 |
1442 |
|
|
11 |
A2 |
735 |
692 |
0.942 |
153 |
1443 |
|
|
12 |
A2 |
646 |
614 |
0.951 |
153 |
1444 |
|
|
13 |
B1 |
882 |
827 |
0.938 |
153 |
1445 |
|
|
14 |
B1 |
763 |
722 |
0.946 |
153 |
1446 |
|
|
15 |
B1 |
656 |
621 |
0.946 |
153 |
1447 |
|
|
16 |
B1 |
630 |
475 |
0.754 |
153 |
1448 |
|
|
17 |
B2 |
3333 |
3143 |
0.943 |
153 |
1449 |
|
|
18 |
B2 |
3300 |
3119 |
0.945 |
153 |
1450 |
|
|
19 |
B2 |
1618 |
1519 |
0.938 |
153 |
1451 |
|
|
20 |
B2 |
1495 |
1424 |
0.953 |
153 |
1452 |
|
|
21 |
B2 |
1355 |
1288 |
0.951 |
153 |
1453 |
|
|
22 |
B2 |
1209 |
1134 |
0.938 |
153 |
1454 |
|
|
23 |
B2 |
1101 |
1049 |
0.953 |
153 |
1455 |
|
|
24 |
B2 |
907 |
866 |
0.955 |
153 |
1456 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3310 |
3120 |
0.943 |
154 |
1457 |
|
|
2 |
A' |
3230 |
3052 |
0.945 |
154 |
1458 |
|
|
3 |
A' |
3209 |
3044 |
0.949 |
154 |
1459 |
|
|
4 |
A' |
2342 |
2264 |
0.967 |
154 |
1460 |
|
|
5 |
A' |
1544 |
1468 |
0.951 |
154 |
1461 |
|
|
6 |
A' |
1426 |
1344 |
0.943 |
154 |
1462 |
|
|
7 |
A' |
1253 |
1195 |
0.954 |
154 |
1463 |
|
|
8 |
A' |
1173 |
1125 |
0.959 |
154 |
1464 |
|
|
9 |
A' |
1121 |
1049 |
0.936 |
154 |
1465 |
|
|
10 |
A' |
996 |
941 |
0.945 |
154 |
1466 |
|
|
11 |
A' |
841 |
808 |
0.961 |
154 |
1467 |
|
|
12 |
A' |
779 |
736 |
0.945 |
154 |
1468 |
|
|
13 |
A' |
544 |
527 |
0.969 |
154 |
1469 |
|
|
14 |
A' |
218 |
222 |
1.017 |
154 |
1470 |
|
|
15 |
A" |
3294 |
3094 |
0.939 |
154 |
1471 |
|
|
16 |
A" |
3203 |
3040 |
0.949 |
154 |
1472 |
|
|
17 |
A" |
1521 |
1442 |
0.948 |
154 |
1473 |
|
|
18 |
A" |
1236 |
1180 |
0.955 |
154 |
1474 |
|
|
19 |
A" |
1167 |
1070 |
0.917 |
154 |
1475 |
|
|
20 |
A" |
1134 |
1088 |
0.959 |
154 |
1476 |
|
|
21 |
A" |
938 |
880 |
0.939 |
154 |
1477 |
|
|
22 |
A" |
860 |
821 |
0.954 |
154 |
1478 |
|
|
23 |
A" |
557 |
543 |
0.975 |
154 |
1479 |
|
|
24 |
A" |
217 |
222 |
1.023 |
154 |
1480 |
C4H4N2 |
Succinonitrile |
1 |
Ag |
3095 |
2947 |
0.952 |
155 |
1481 |
|
|
2 |
Ag |
2353 |
2254 |
0.958 |
155 |
1482 |
|
|
3 |
Ag |
1525 |
1422 |
0.933 |
155 |
1483 |
|
|
4 |
Ag |
1416 |
1328 |
0.938 |
155 |
1484 |
|
|
5 |
Ag |
1059 |
1023 |
0.966 |
155 |
1485 |
|
|
6 |
Ag |
994 |
809 |
0.814 |
155 |
1486 |
|
|
7 |
Ag |
520 |
508 |
0.976 |
155 |
1487 |
|
|
8 |
Ag |
226 |
187 |
0.828 |
155 |
1488 |
|
|
9 |
Au |
3161 |
2985 |
0.944 |
155 |
1489 |
|
|
10 |
Au |
1253 |
1197 |
0.955 |
155 |
1490 |
|
|
11 |
Au |
803 |
760 |
0.946 |
155 |
1491 |
|
|
12 |
Au |
405 |
357 |
0.882 |
155 |
1492 |
|
|
13 |
Au |
78 |
|
|
155 |
1493 |
|
|
14 |
Bg |
3140 |
2982 |
0.950 |
155 |
1494 |
|
|
15 |
Bg |
1349 |
1226 |
0.909 |
155 |
1495 |
|
|
16 |
Bg |
1078 |
951 |
0.882 |
155 |
1496 |
|
|
17 |
Bg |
363 |
387 |
1.065 |
155 |
1497 |
|
|
18 |
Bu |
3104 |
2965 |
0.955 |
155 |
1498 |
|
|
19 |
Bu |
2355 |
2255 |
0.957 |
155 |
1499 |
|
|
20 |
Bu |
1527 |
1425 |
0.933 |
155 |
1500 |
|
|
21 |
Bu |
1347 |
1270 |
0.943 |
155 |
1501 |
|
|
22 |
Bu |
966 |
917 |
0.949 |
155 |
1502 |
|
|
23 |
Bu |
529 |
526 |
0.994 |
155 |
1503 |
|
|
24 |
Bu |
133 |
|
|
155 |
1504 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3281 |
3063 |
0.934 |
156 |
1505 |
|
|
2 |
A1 |
3262 |
3043 |
0.933 |
156 |
1506 |
|
|
3 |
A1 |
1635 |
1572 |
0.961 |
156 |
1507 |
|
|
4 |
A1 |
1495 |
1414 |
0.946 |
156 |
1508 |
|
|
5 |
A1 |
1228 |
1283 |
1.044 |
156 |
1509 |
|
|
6 |
A1 |
1195 |
1160 |
0.971 |
156 |
1510 |
|
|
7 |
A1 |
1097 |
1063 |
0.969 |
156 |
1511 |
|
|
8 |
A1 |
997 |
964 |
0.967 |
156 |
1512 |
|
|
9 |
A1 |
695 |
619 |
0.890 |
156 |
1513 |
|
|
10 |
A2 |
1060 |
936 |
0.883 |
156 |
1514 |
|
|
11 |
A2 |
972 |
863 |
0.888 |
156 |
1515 |
|
|
12 |
A2 |
782 |
751 |
0.960 |
156 |
1516 |
|
|
13 |
A2 |
386 |
421 |
1.089 |
156 |
1517 |
|
|
14 |
B1 |
1020 |
|
|
156 |
1518 |
|
|
15 |
B1 |
787 |
760 |
0.966 |
156 |
1519 |
|
|
16 |
B1 |
386 |
370 |
0.960 |
156 |
1520 |
|
|
17 |
B2 |
3273 |
3075 |
0.939 |
156 |
1521 |
|
|
18 |
B2 |
3249 |
3043 |
0.937 |
156 |
1522 |
|
|
19 |
B2 |
1625 |
1565 |
0.963 |
156 |
1523 |
|
|
20 |
B2 |
1467 |
1444 |
0.984 |
156 |
1524 |
|
|
21 |
B2 |
1334 |
1239 |
0.929 |
156 |
1525 |
|
|
22 |
B2 |
1112 |
1052 |
0.946 |
156 |
1526 |
|
|
23 |
B2 |
1057 |
1009 |
0.954 |
156 |
1527 |
|
|
24 |
B2 |
647 |
664 |
1.026 |
156 |
1528 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3281 |
3082 |
0.939 |
157 |
1529 |
|
|
2 |
A1 |
3274 |
3053 |
0.933 |
157 |
1530 |
|
|
3 |
A1 |
3242 |
3049 |
0.940 |
157 |
1531 |
|
|
4 |
A1 |
1622 |
1572 |
0.969 |
157 |
1532 |
|
|
5 |
A1 |
1455 |
1465 |
1.007 |
157 |
1533 |
|
|
6 |
A1 |
1181 |
1155 |
0.978 |
157 |
1534 |
|
|
7 |
A1 |
1102 |
1065 |
0.966 |
157 |
1535 |
|
|
8 |
A1 |
1009 |
969 |
0.961 |
157 |
1536 |
|
|
9 |
A1 |
705 |
679 |
0.964 |
157 |
1537 |
|
|
10 |
A2 |
1024 |
960 |
0.938 |
157 |
1538 |
|
|
11 |
A2 |
423 |
398 |
0.942 |
157 |
1539 |
|
|
12 |
B1 |
1054 |
1033 |
0.980 |
157 |
1540 |
|
|
13 |
B1 |
1008 |
980 |
0.973 |
157 |
1541 |
|
|
14 |
B1 |
843 |
804 |
0.953 |
157 |
1542 |
|
|
15 |
B1 |
762 |
719 |
0.943 |
157 |
1543 |
|
|
16 |
B1 |
364 |
347 |
0.953 |
157 |
1544 |
|
|
17 |
B2 |
3248 |
3047 |
0.938 |
157 |
1545 |
|
|
18 |
B2 |
1624 |
1569 |
0.966 |
157 |
1546 |
|
|
19 |
B2 |
1512 |
1411 |
0.933 |
157 |
1547 |
|
|
20 |
B2 |
1421 |
1356 |
0.954 |
157 |
1548 |
|
|
21 |
B2 |
1273 |
1224 |
0.962 |
157 |
1549 |
|
|
22 |
B2 |
1251 |
1158 |
0.926 |
157 |
1550 |
|
|
23 |
B2 |
1110 |
1071 |
0.965 |
157 |
1551 |
|
|
24 |
B2 |
643 |
621 |
0.966 |
157 |
1552 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3273 |
3055 |
0.933 |
158 |
1553 |
|
|
2 |
Ag |
1629 |
1580 |
0.970 |
158 |
1554 |
|
|
3 |
Ag |
1282 |
1233 |
0.962 |
158 |
1555 |
|
|
4 |
Ag |
1052 |
1016 |
0.966 |
158 |
1556 |
|
|
5 |
Ag |
620 |
602 |
0.970 |
158 |
1557 |
|
|
6 |
Au |
1035 |
960 |
0.928 |
158 |
1558 |
|
|
7 |
Au |
349 |
350 |
1.004 |
158 |
1559 |
|
|
8 |
B1g |
969 |
927 |
0.956 |
158 |
1560 |
|
|
9 |
B1u |
3249 |
3012 |
0.927 |
158 |
1561 |
|
|
10 |
B1u |
1528 |
1483 |
0.971 |
158 |
1562 |
|
|
11 |
B1u |
1178 |
1130 |
0.960 |
158 |
1563 |
|
|
12 |
B1u |
1031 |
1018 |
0.988 |
158 |
1564 |
|
|
13 |
B2g |
1025 |
983 |
0.959 |
158 |
1565 |
|
|
14 |
B2g |
794 |
756 |
0.952 |
158 |
1566 |
|
|
15 |
B2u |
3264 |
3069 |
0.940 |
158 |
1567 |
|
|
16 |
B2u |
1466 |
1411 |
0.962 |
158 |
1568 |
|
|
17 |
B2u |
1262 |
1149 |
0.911 |
158 |
1569 |
|
|
18 |
B2u |
1117 |
1063 |
0.952 |
158 |
1570 |
|
|
19 |
B3g |
3246 |
3040 |
0.936 |
158 |
1571 |
|
|
20 |
B3g |
1592 |
1525 |
0.958 |
158 |
1572 |
|
|
21 |
B3g |
1405 |
1346 |
0.958 |
158 |
1573 |
|
|
22 |
B3g |
730 |
704 |
0.964 |
158 |
1574 |
|
|
23 |
B3u |
827 |
785 |
0.949 |
158 |
1575 |
|
|
24 |
B3u |
451 |
418 |
0.927 |
158 |
1576 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3713 |
3675 |
0.990 |
159 |
1577 |
|
|
2 |
A |
3285 |
3102 |
0.944 |
159 |
1578 |
|
|
3 |
A |
3216 |
3022 |
0.940 |
159 |
1579 |
|
|
4 |
A |
3190 |
2995 |
0.939 |
159 |
1580 |
|
|
5 |
A |
3067 |
2934 |
0.957 |
159 |
1581 |
|
|
6 |
A |
3011 |
2866 |
0.952 |
159 |
1582 |
|
|
7 |
A |
1756 |
1654 |
0.942 |
159 |
1583 |
|
|
8 |
A |
1558 |
1453 |
0.933 |
159 |
1584 |
|
|
9 |
A |
1511 |
1414 |
0.936 |
159 |
1585 |
|
|
10 |
A |
1452 |
1384 |
0.953 |
159 |
1586 |
|
|
11 |
A |
1350 |
1320 |
0.977 |
159 |
1587 |
|
|
12 |
A |
1294 |
1293 |
0.999 |
159 |
1588 |
|
|
13 |
A |
1250 |
1191 |
0.953 |
159 |
1589 |
|
|
14 |
A |
1177 |
1132 |
0.961 |
159 |
1590 |
|
|
15 |
A |
1061 |
1110 |
1.046 |
159 |
1591 |
|
|
16 |
A |
1043 |
1038 |
0.994 |
159 |
1592 |
|
|
17 |
A |
1004 |
995 |
0.991 |
159 |
1593 |
|
|
18 |
A |
990 |
919 |
0.928 |
159 |
1594 |
|
|
19 |
A |
942 |
885 |
0.940 |
159 |
1595 |
|
|
20 |
A |
662 |
606 |
0.916 |
159 |
1596 |
|
|
22 |
A |
327 |
377 |
1.153 |
159 |
1597 |
|
|
23 |
A |
262 |
277 |
1.056 |
159 |
1598 |
|
|
24 |
A |
107 |
188 |
1.762 |
159 |
1599 |
CH3CH2CHO |
Propanal |
1 |
A' |
3178 |
2981 |
0.938 |
160 |
1600 |
|
|
2 |
A' |
3090 |
2904 |
0.940 |
160 |
1601 |
|
|
3 |
A' |
3049 |
2895 |
0.949 |
160 |
1602 |
|
|
4 |
A' |
2991 |
2809 |
0.939 |
160 |
1603 |
|
|
5 |
A' |
1765 |
1743 |
0.987 |
160 |
1604 |
|
|
6 |
A' |
1550 |
1460 |
0.942 |
160 |
1605 |
|
|
7 |
A' |
1503 |
1416 |
0.942 |
160 |
1606 |
|
|
8 |
A' |
1473 |
1390 |
0.944 |
160 |
1607 |
|
|
9 |
A' |
1450 |
1376 |
0.949 |
160 |
1608 |
|
|
10 |
A' |
1397 |
1335 |
0.956 |
160 |
1609 |
|
|
11 |
A' |
1146 |
1093 |
0.953 |
160 |
1610 |
|
|
12 |
A' |
1054 |
993 |
0.942 |
160 |
1611 |
|
|
13 |
A' |
890 |
848 |
0.953 |
160 |
1612 |
|
|
14 |
A' |
688 |
668 |
0.971 |
160 |
1613 |
|
|
15 |
A' |
264 |
271 |
1.028 |
160 |
1614 |
|
|
16 |
A" |
3180 |
2992 |
0.941 |
160 |
1615 |
|
|
17 |
A" |
3082 |
2942 |
0.955 |
160 |
1616 |
|
|
18 |
A" |
1545 |
1451 |
0.939 |
160 |
1617 |
|
|
19 |
A" |
1309 |
1250 |
0.955 |
160 |
1618 |
|
|
20 |
A" |
1175 |
1118 |
0.951 |
160 |
1619 |
|
|
21 |
A" |
932 |
892 |
0.957 |
160 |
1620 |
|
|
22 |
A" |
708 |
660 |
0.932 |
160 |
1621 |
|
|
23 |
A" |
226 |
220 |
0.975 |
160 |
1622 |
|
|
24 |
A" |
127 |
135 |
1.067 |
160 |
1623 |
C3H6O |
Oxetane |
1 |
A1 |
3131 |
2959 |
0.945 |
161 |
1624 |
|
|
2 |
A1 |
3107 |
2930 |
0.943 |
161 |
1625 |
|
|
3 |
A1 |
1586 |
1473 |
0.929 |
161 |
1626 |
|
|
4 |
A1 |
1540 |
1461 |
0.949 |
161 |
1627 |
|
|
5 |
A1 |
1386 |
1342 |
0.969 |
161 |
1628 |
|
|
6 |
A1 |
1048 |
1134 |
1.083 |
161 |
1629 |
|
|
7 |
A1 |
899 |
1018 |
1.133 |
161 |
1630 |
|
|
8 |
A1 |
808 |
908 |
1.124 |
161 |
1631 |
|
|
9 |
A2 |
3160 |
3000 |
0.949 |
161 |
1632 |
|
|
10 |
A2 |
1270 |
1283 |
1.011 |
161 |
1633 |
|
|
11 |
A2 |
1147 |
1185 |
1.033 |
161 |
1634 |
|
|
12 |
A2 |
878 |
986 |
1.123 |
161 |
1635 |
|
|
13 |
B1 |
3196 |
3007 |
0.941 |
161 |
1636 |
|
|
14 |
B1 |
3157 |
2940 |
0.931 |
161 |
1637 |
|
|
15 |
B1 |
1226 |
1225 |
0.999 |
161 |
1638 |
|
|
16 |
B1 |
1133 |
1142 |
1.008 |
161 |
1639 |
|
|
17 |
B1 |
793 |
836 |
1.054 |
161 |
1640 |
|
|
18 |
B1 |
79 |
90 |
1.130 |
161 |
1641 |
|
|
19 |
B2 |
3098 |
2966 |
0.957 |
161 |
1642 |
|
|
20 |
B2 |
1561 |
1508 |
0.966 |
161 |
1643 |
|
|
21 |
B2 |
1333 |
1458 |
1.094 |
161 |
1644 |
|
|
22 |
B2 |
1308 |
1363 |
1.042 |
161 |
1645 |
|
|
23 |
B2 |
1011 |
1228 |
1.215 |
161 |
1646 |
|
|
24 |
B2 |
959 |
936 |
0.976 |
161 |
1647 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3218 |
3018 |
0.938 |
162 |
1648 |
|
|
2 |
A |
3166 |
2985 |
0.943 |
162 |
1649 |
|
|
3 |
A |
3130 |
2958 |
0.945 |
162 |
1650 |
|
|
4 |
A |
3051 |
2945 |
0.965 |
162 |
1651 |
|
|
5 |
A |
3048 |
2922 |
0.959 |
162 |
1652 |
|
|
6 |
A |
2345 |
2245 |
0.957 |
162 |
1653 |
|
|
7 |
A |
1552 |
1472 |
0.948 |
162 |
1654 |
|
|
8 |
A |
1537 |
1452 |
0.945 |
162 |
1655 |
|
|
9 |
A |
1521 |
1439 |
0.946 |
162 |
1656 |
|
|
10 |
A |
1507 |
1431 |
0.949 |
162 |
1657 |
|
|
11 |
A |
1409 |
1368 |
0.971 |
162 |
1658 |
|
|
12 |
A |
1317 |
1287 |
0.977 |
162 |
1659 |
|
|
13 |
A |
1214 |
1199 |
0.988 |
162 |
1660 |
|
|
14 |
A |
1179 |
1161 |
0.985 |
162 |
1661 |
|
|
15 |
A |
1129 |
1127 |
0.998 |
162 |
1662 |
|
|
16 |
A |
1041 |
1016 |
0.976 |
162 |
1663 |
|
|
17 |
A |
941 |
925 |
0.983 |
162 |
1664 |
|
|
18 |
A |
893 |
890 |
0.996 |
162 |
1665 |
|
|
19 |
A |
602 |
586 |
0.973 |
162 |
1666 |
|
|
20 |
A |
381 |
404 |
1.060 |
162 |
1667 |
|
|
21 |
A |
364 |
347 |
0.952 |
162 |
1668 |
|
|
22 |
A |
245 |
243 |
0.990 |
162 |
1669 |
|
|
23 |
A |
174 |
170 |
0.976 |
162 |
1670 |
|
|
24 |
A |
114 |
113 |
0.992 |
162 |
1671 |
C3H6S |
Thietane |
1 |
A' |
3223 |
2994 |
0.929 |
163 |
1672 |
|
|
2 |
A' |
3164 |
2972 |
0.939 |
163 |
1673 |
|
|
3 |
A' |
3145 |
2946 |
0.937 |
163 |
1674 |
|
|
4 |
A' |
3107 |
2903 |
0.934 |
163 |
1675 |
|
|
5 |
A' |
1553 |
1470 |
0.946 |
163 |
1676 |
|
|
6 |
A' |
1533 |
1452 |
0.947 |
163 |
1677 |
|
|
7 |
A' |
1286 |
1224 |
0.951 |
163 |
1678 |
|
|
8 |
A' |
1237 |
1183 |
0.956 |
163 |
1679 |
|
|
9 |
A' |
1001 |
975 |
0.974 |
163 |
1680 |
|
|
10 |
A' |
971 |
933 |
0.961 |
163 |
1681 |
|
|
11 |
A' |
851 |
845 |
0.993 |
163 |
1682 |
|
|
12 |
A' |
717 |
700 |
0.976 |
163 |
1683 |
|
|
13 |
A' |
535 |
529 |
0.988 |
163 |
1684 |
|
|
14 |
A' |
113 |
|
|
163 |
1685 |
|
|
15 |
A" |
3219 |
2994 |
0.930 |
163 |
1686 |
|
|
16 |
A" |
3144 |
2950 |
0.938 |
163 |
1687 |
|
|
17 |
A" |
1528 |
1454 |
0.952 |
163 |
1688 |
|
|
18 |
A" |
1357 |
1281 |
0.944 |
163 |
1689 |
|
|
19 |
A" |
1294 |
1229 |
0.950 |
163 |
1690 |
|
|
20 |
A" |
1234 |
1165 |
0.944 |
163 |
1691 |
|
|
21 |
A" |
1062 |
1011 |
0.952 |
163 |
1692 |
|
|
22 |
A" |
1033 |
986 |
0.954 |
163 |
1693 |
|
|
23 |
A" |
843 |
823 |
0.976 |
163 |
1694 |
|
|
24 |
A" |
651 |
677 |
1.041 |
163 |
1695 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3236 |
2990 |
0.924 |
164 |
1696 |
|
|
2 |
A |
3218 |
2983 |
0.927 |
164 |
1697 |
|
|
3 |
A |
3107 |
2913 |
0.938 |
164 |
1698 |
|
|
4 |
A |
1523 |
1426 |
0.936 |
164 |
1699 |
|
|
5 |
A |
1511 |
1419 |
0.939 |
164 |
1700 |
|
|
6 |
A |
1406 |
1311 |
0.933 |
164 |
1701 |
|
|
7 |
A |
1013 |
955 |
0.943 |
164 |
1702 |
|
|
8 |
A |
1010 |
949 |
0.939 |
164 |
1703 |
|
|
9 |
A |
677 |
694 |
1.025 |
164 |
1704 |
|
|
10 |
A |
446 |
509 |
1.141 |
164 |
1705 |
|
|
11 |
A |
205 |
240 |
1.173 |
164 |
1706 |
|
|
12 |
A |
134 |
134 |
1.001 |
164 |
1707 |
|
|
13 |
A |
82 |
117 |
1.425 |
164 |
1708 |
|
|
14 |
B |
3236 |
2990 |
0.924 |
164 |
1709 |
|
|
15 |
B |
3217 |
2983 |
0.927 |
164 |
1710 |
|
|
16 |
B |
3106 |
2915 |
0.939 |
164 |
1711 |
|
|
17 |
B |
1527 |
1430 |
0.936 |
164 |
1712 |
|
|
18 |
B |
1507 |
1415 |
0.939 |
164 |
1713 |
|
|
19 |
B |
1400 |
1303 |
0.931 |
164 |
1714 |
|
|
20 |
B |
1013 |
955 |
0.943 |
164 |
1715 |
|
|
21 |
B |
1007 |
949 |
0.942 |
164 |
1716 |
|
|
22 |
B |
675 |
691 |
1.023 |
164 |
1717 |
|
|
23 |
B |
230 |
274 |
1.193 |
164 |
1718 |
|
|
24 |
B |
144 |
134 |
0.932 |
164 |
1719 |
C3H8 |
Propane |
1 |
A1 |
3153 |
2977 |
0.944 |
165 |
1720 |
|
|
2 |
A1 |
3063 |
2962 |
0.967 |
165 |
1721 |
|
|
3 |
A1 |
3060 |
2887 |
0.943 |
165 |
1722 |
|
|
4 |
A1 |
1563 |
1476 |
0.944 |
165 |
1723 |
|
|
5 |
A1 |
1546 |
1462 |
0.945 |
165 |
1724 |
|
|
6 |
A1 |
1472 |
1392 |
0.946 |
165 |
1725 |
|
|
7 |
A1 |
1215 |
1158 |
0.953 |
165 |
1726 |
|
|
8 |
A1 |
902 |
869 |
0.963 |
165 |
1727 |
|
|
9 |
A1 |
378 |
369 |
0.976 |
165 |
1728 |
|
|
10 |
A2 |
3140 |
2967 |
0.945 |
165 |
1729 |
|
|
11 |
A2 |
1542 |
1451 |
0.941 |
165 |
1730 |
|
|
12 |
A2 |
1348 |
1278 |
0.948 |
165 |
1731 |
|
|
13 |
A2 |
947 |
940 |
0.992 |
165 |
1732 |
|
|
14 |
A2 |
221 |
216 |
0.976 |
165 |
1733 |
|
|
15 |
B1 |
3152 |
2973 |
0.943 |
165 |
1734 |
|
|
16 |
B1 |
3096 |
2968 |
0.959 |
165 |
1735 |
|
|
17 |
B1 |
1558 |
1472 |
0.945 |
165 |
1736 |
|
|
18 |
B1 |
1253 |
1192 |
0.951 |
165 |
1737 |
|
|
19 |
B1 |
780 |
748 |
0.959 |
165 |
1738 |
|
|
20 |
B1 |
271 |
268 |
0.988 |
165 |
1739 |
|
|
21 |
B2 |
3149 |
2968 |
0.942 |
165 |
1740 |
|
|
22 |
B2 |
3060 |
2887 |
0.943 |
165 |
1741 |
|
|
23 |
B2 |
1548 |
1464 |
0.946 |
165 |
1742 |
|
|
24 |
B2 |
1454 |
1378 |
0.947 |
165 |
1743 |
|
|
25 |
B2 |
1409 |
1338 |
0.950 |
165 |
1744 |
|
|
26 |
B2 |
1105 |
1054 |
0.954 |
165 |
1745 |
|
|
27 |
B2 |
966 |
922 |
0.955 |
165 |
1746 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3301 |
3091 |
0.936 |
166 |
1747 |
|
|
2 |
A1 |
3270 |
3075 |
0.940 |
166 |
1748 |
|
|
3 |
A1 |
3063 |
2886 |
0.942 |
166 |
1749 |
|
|
4 |
A1 |
1592 |
1500 |
0.942 |
166 |
1750 |
|
|
5 |
A1 |
1465 |
1378 |
0.941 |
166 |
1751 |
|
|
6 |
A1 |
1435 |
1365 |
0.951 |
166 |
1752 |
|
|
7 |
A1 |
1164 |
1106 |
0.950 |
166 |
1753 |
|
|
8 |
A1 |
1046 |
994 |
0.950 |
166 |
1754 |
|
|
9 |
A1 |
952 |
915 |
0.961 |
166 |
1755 |
|
|
10 |
A1 |
840 |
802 |
0.955 |
166 |
1756 |
|
|
11 |
A2 |
1151 |
1100 |
0.955 |
166 |
1757 |
|
|
12 |
A2 |
995 |
941 |
0.946 |
166 |
1758 |
|
|
13 |
A2 |
747 |
700 |
0.937 |
166 |
1759 |
|
|
14 |
A2 |
541 |
516 |
0.953 |
166 |
1760 |
|
|
15 |
B1 |
3101 |
2900 |
0.935 |
166 |
1761 |
|
|
16 |
B1 |
987 |
925 |
0.937 |
166 |
1762 |
|
|
17 |
B1 |
950 |
891 |
0.938 |
166 |
1763 |
|
|
18 |
B1 |
707 |
664 |
0.939 |
166 |
1764 |
|
|
19 |
B1 |
361 |
350 |
0.971 |
166 |
1765 |
|
|
20 |
B2 |
3289 |
3105 |
0.944 |
166 |
1766 |
|
|
21 |
B2 |
3260 |
3043 |
0.933 |
166 |
1767 |
|
|
22 |
B2 |
1673 |
1580 |
0.944 |
166 |
1768 |
|
|
23 |
B2 |
1356 |
1292 |
0.953 |
166 |
1769 |
|
|
24 |
B2 |
1300 |
1239 |
0.953 |
166 |
1770 |
|
|
25 |
B2 |
1149 |
1090 |
0.948 |
166 |
1771 |
|
|
26 |
B2 |
1010 |
959 |
0.949 |
166 |
1772 |
|
|
27 |
B2 |
842 |
805 |
0.956 |
166 |
1773 |
C5H5N |
Pyridine |
1 |
A1 |
3266 |
3094 |
0.947 |
167 |
1774 |
|
|
2 |
A1 |
3242 |
3073 |
0.948 |
167 |
1775 |
|
|
3 |
A1 |
3230 |
3030 |
0.938 |
167 |
1776 |
|
|
4 |
A1 |
1657 |
1584 |
0.956 |
167 |
1777 |
|
|
5 |
A1 |
1539 |
1483 |
0.964 |
167 |
1778 |
|
|
6 |
A1 |
1273 |
1218 |
0.956 |
167 |
1779 |
|
|
7 |
A1 |
1120 |
1072 |
0.957 |
167 |
1780 |
|
|
8 |
A1 |
1070 |
1032 |
0.964 |
167 |
1781 |
|
|
9 |
A1 |
1019 |
991 |
0.973 |
167 |
1782 |
|
|
10 |
A1 |
630 |
601 |
0.954 |
167 |
1783 |
|
|
11 |
A2 |
1035 |
980 |
0.947 |
167 |
1784 |
|
|
12 |
A2 |
930 |
880 |
0.947 |
167 |
1785 |
|
|
13 |
A2 |
392 |
373 |
0.951 |
167 |
1786 |
|
|
14 |
B1 |
1057 |
1007 |
0.952 |
167 |
1787 |
|
|
15 |
B1 |
988 |
937 |
0.948 |
167 |
1788 |
|
|
16 |
B1 |
782 |
744 |
0.951 |
167 |
1789 |
|
|
17 |
B1 |
742 |
700 |
0.943 |
167 |
1790 |
|
|
18 |
B1 |
433 |
403 |
0.930 |
167 |
1791 |
|
|
19 |
B2 |
3256 |
3087 |
0.948 |
167 |
1792 |
|
|
20 |
B2 |
3232 |
3042 |
0.941 |
167 |
1793 |
|
|
21 |
B2 |
1653 |
1581 |
0.956 |
167 |
1794 |
|
|
22 |
B2 |
1505 |
1442 |
0.958 |
167 |
1795 |
|
|
23 |
B2 |
1421 |
1362 |
0.958 |
167 |
1796 |
|
|
24 |
B2 |
1335 |
1227 |
0.919 |
167 |
1797 |
|
|
25 |
B2 |
1219 |
1143 |
0.938 |
167 |
1798 |
|
|
26 |
B2 |
1106 |
1079 |
0.975 |
167 |
1799 |
|
|
27 |
B2 |
685 |
652 |
0.952 |
167 |
1800 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3230 |
3058 |
0.947 |
168 |
1801 |
|
|
2 |
A' |
3182 |
2995 |
0.941 |
168 |
1802 |
|
|
3 |
A' |
3162 |
2963 |
0.937 |
168 |
1803 |
|
|
4 |
A' |
3062 |
2938 |
0.960 |
168 |
1804 |
|
|
5 |
A' |
2982 |
2805 |
0.941 |
168 |
1805 |
|
|
6 |
A' |
1755 |
1720 |
0.980 |
168 |
1806 |
|
|
7 |
A' |
1725 |
1649 |
0.956 |
168 |
1807 |
|
|
8 |
A' |
1534 |
1455 |
0.949 |
168 |
1808 |
|
|
9 |
A' |
1469 |
1391 |
0.947 |
168 |
1809 |
|
|
10 |
A' |
1448 |
1375 |
0.950 |
168 |
1810 |
|
|
11 |
A' |
1367 |
1304 |
0.954 |
168 |
1811 |
|
|
12 |
A' |
1325 |
1253 |
0.945 |
168 |
1812 |
|
|
13 |
A' |
1209 |
1147 |
0.948 |
168 |
1813 |
|
|
14 |
A' |
1139 |
1074 |
0.943 |
168 |
1814 |
|
|
15 |
A' |
982 |
973 |
0.991 |
168 |
1815 |
|
|
16 |
A' |
550 |
539 |
0.980 |
168 |
1816 |
|
|
17 |
A' |
474 |
464 |
0.978 |
168 |
1817 |
|
|
18 |
A' |
212 |
230 |
1.084 |
168 |
1818 |
|
|
19 |
A" |
3127 |
2980 |
0.953 |
168 |
1819 |
|
|
20 |
A" |
1528 |
1455 |
0.952 |
168 |
1820 |
|
|
21 |
A" |
1113 |
1042 |
0.936 |
168 |
1821 |
|
|
22 |
A" |
1050 |
973 |
0.927 |
168 |
1822 |
|
|
23 |
A" |
1029 |
928 |
0.902 |
168 |
1823 |
|
|
24 |
A" |
828 |
780 |
0.942 |
168 |
1824 |
|
|
25 |
A" |
301 |
295 |
0.981 |
168 |
1825 |
|
|
26 |
A" |
199 |
173 |
0.869 |
168 |
1826 |
|
|
27 |
A" |
137 |
122 |
0.892 |
168 |
1827 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3241 |
3035 |
0.936 |
169 |
1828 |
|
|
2 |
A' |
3228 |
3031 |
0.939 |
169 |
1829 |
|
|
3 |
A' |
3104 |
2966 |
0.956 |
169 |
1830 |
|
|
4 |
A' |
3100 |
2964 |
0.956 |
169 |
1831 |
|
|
5 |
A' |
1771 |
1771 |
1.000 |
169 |
1832 |
|
|
6 |
A' |
1544 |
1460 |
0.946 |
169 |
1833 |
|
|
7 |
A' |
1519 |
1440 |
0.948 |
169 |
1834 |
|
|
8 |
A' |
1501 |
1430 |
0.952 |
169 |
1835 |
|
|
9 |
A' |
1452 |
1375 |
0.947 |
169 |
1836 |
|
|
10 |
A' |
1307 |
1248 |
0.955 |
169 |
1837 |
|
|
11 |
A' |
1215 |
1159 |
0.954 |
169 |
1838 |
|
|
12 |
A' |
1085 |
1060 |
0.977 |
169 |
1839 |
|
|
13 |
A' |
1008 |
980 |
0.972 |
169 |
1840 |
|
|
14 |
A' |
844 |
844 |
1.000 |
169 |
1841 |
|
|
15 |
A' |
650 |
639 |
0.983 |
169 |
1842 |
|
|
16 |
A' |
421 |
429 |
1.019 |
169 |
1843 |
|
|
17 |
A' |
270 |
303 |
1.121 |
169 |
1844 |
|
|
18 |
A" |
3197 |
3005 |
0.940 |
169 |
1845 |
|
|
19 |
A" |
3180 |
2994 |
0.941 |
169 |
1846 |
|
|
20 |
A" |
1531 |
1460 |
0.954 |
169 |
1847 |
|
|
21 |
A" |
1524 |
1430 |
0.938 |
169 |
1848 |
|
|
22 |
A" |
1178 |
1187 |
1.008 |
169 |
1849 |
|
|
23 |
A" |
1102 |
1036 |
0.940 |
169 |
1850 |
|
|
24 |
A" |
601 |
607 |
1.010 |
169 |
1851 |
|
|
25 |
A" |
183 |
187 |
1.023 |
169 |
1852 |
|
|
26 |
A" |
96 |
136 |
1.422 |
169 |
1853 |
|
|
27 |
A" |
53 |
110 |
2.068 |
169 |
1854 |
C2H6O2S |
Dimethyl sulfone |
1 |
A1 |
3265 |
3018 |
0.924 |
170 |
1855 |
|
|
2 |
A1 |
3126 |
2936 |
0.939 |
170 |
1856 |
|
|
3 |
A1 |
1494 |
1451 |
0.971 |
170 |
1857 |
|
|
4 |
A1 |
1397 |
1337 |
0.957 |
170 |
1858 |
|
|
5 |
A1 |
1079 |
1121 |
1.039 |
170 |
1859 |
|
|
6 |
A1 |
831 |
1013 |
1.220 |
170 |
1860 |
|
|
7 |
A1 |
597 |
703 |
1.178 |
170 |
1861 |
|
|
8 |
A1 |
355 |
496 |
1.396 |
170 |
1862 |
|
|
9 |
A1 |
223 |
294 |
1.318 |
170 |
1863 |
|
|
10 |
A2 |
3263 |
3024 |
0.927 |
170 |
1864 |
|
|
11 |
A2 |
1496 |
1405 |
0.939 |
170 |
1865 |
|
|
12 |
A2 |
985 |
937 |
0.951 |
170 |
1866 |
|
|
13 |
A2 |
210 |
326 |
1.554 |
170 |
1867 |
|
|
14 |
A2 |
147 |
|
|
170 |
1868 |
|
|
15 |
B1 |
3266 |
3025 |
0.926 |
170 |
1869 |
|
|
16 |
B1 |
1508 |
1428 |
0.947 |
170 |
1870 |
|
|
17 |
B1 |
1097 |
1269 |
1.157 |
170 |
1871 |
|
|
18 |
B1 |
927 |
986 |
1.064 |
170 |
1872 |
|
|
19 |
B1 |
278 |
396 |
1.426 |
170 |
1873 |
|
|
20 |
B1 |
171 |
262 |
1.534 |
170 |
1874 |
|
|
21 |
B2 |
3264 |
3017 |
0.924 |
170 |
1875 |
|
|
22 |
B2 |
3125 |
2936 |
0.940 |
170 |
1876 |
|
|
23 |
B2 |
1483 |
1438 |
0.969 |
170 |
1877 |
|
|
24 |
B2 |
1374 |
1322 |
0.962 |
170 |
1878 |
|
|
25 |
B2 |
988 |
958 |
0.969 |
170 |
1879 |
|
|
26 |
B2 |
685 |
771 |
1.125 |
170 |
1880 |
|
|
27 |
B2 |
317 |
465 |
1.466 |
170 |
1881 |
CH3CHClCH3 |
Propane, 2-chloro- |
1 |
A' |
3195 |
3005 |
0.940 |
171 |
1882 |
|
|
2 |
A' |
3169 |
2955 |
0.933 |
171 |
1883 |
|
|
3 |
A' |
3150 |
2927 |
0.929 |
171 |
1884 |
|
|
4 |
A' |
3076 |
2878 |
0.936 |
171 |
1885 |
|
|
5 |
A' |
1556 |
1472 |
0.946 |
171 |
1886 |
|
|
6 |
A' |
1540 |
1454 |
0.944 |
171 |
1887 |
|
|
7 |
A' |
1476 |
1390 |
0.942 |
171 |
1888 |
|
|
8 |
A' |
1310 |
1270 |
0.969 |
171 |
1889 |
|
|
9 |
A' |
1228 |
1163 |
0.947 |
171 |
1890 |
|
|
10 |
A' |
1111 |
1065 |
0.959 |
171 |
1891 |
|
|
11 |
A' |
921 |
888 |
0.964 |
171 |
1892 |
|
|
12 |
A' |
585 |
633 |
1.082 |
171 |
1893 |
|
|
13 |
A' |
426 |
418 |
0.981 |
171 |
1894 |
|
|
14 |
A' |
339 |
336 |
0.991 |
171 |
1895 |
|
|
15 |
A' |
267 |
253 |
0.949 |
171 |
1896 |
|
|
16 |
A" |
3189 |
2997 |
0.940 |
171 |
1897 |
|
|
17 |
A" |
3159 |
2985 |
0.945 |
171 |
1898 |
|
|
18 |
A" |
3072 |
2947 |
0.959 |
171 |
1899 |
|
|
19 |
A" |
1536 |
1472 |
0.958 |
171 |
1900 |
|
|
20 |
A" |
1527 |
1454 |
0.952 |
171 |
1901 |
|
|
21 |
A" |
1460 |
1377 |
0.943 |
171 |
1902 |
|
|
22 |
A" |
1403 |
1334 |
0.951 |
171 |
1903 |
|
|
23 |
A" |
1193 |
1123 |
0.941 |
171 |
1904 |
|
|
24 |
A" |
990 |
972 |
0.981 |
171 |
1905 |
|
|
25 |
A" |
982 |
936 |
0.953 |
171 |
1906 |
|
|
26 |
A" |
316 |
317 |
1.003 |
171 |
1907 |
|
|
27 |
A" |
240 |
276 |
1.152 |
171 |
1908 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3256 |
3022 |
0.928 |
172 |
1909 |
|
|
2 |
A |
3199 |
3004 |
0.939 |
172 |
1910 |
|
|
3 |
A |
3184 |
2991 |
0.939 |
172 |
1911 |
|
|
4 |
A |
3172 |
2970 |
0.936 |
172 |
1912 |
|
|
5 |
A |
3167 |
2949 |
0.931 |
172 |
1913 |
|
|
6 |
A |
3089 |
2908 |
0.941 |
172 |
1914 |
|
|
7 |
A |
1546 |
1462 |
0.945 |
172 |
1915 |
|
|
8 |
A |
1538 |
1459 |
0.949 |
172 |
1916 |
|
|
9 |
A |
1524 |
1446 |
0.949 |
172 |
1917 |
|
|
10 |
A |
1470 |
1391 |
0.946 |
172 |
1918 |
|
|
11 |
A |
1420 |
1347 |
0.948 |
172 |
1919 |
|
|
12 |
A |
1338 |
1286 |
0.961 |
172 |
1920 |
|
|
13 |
A |
1291 |
1238 |
0.959 |
172 |
1921 |
|
|
14 |
A |
1243 |
1181 |
0.950 |
172 |
1922 |
|
|
15 |
A |
1194 |
1120 |
0.938 |
172 |
1923 |
|
|
16 |
A |
1111 |
1076 |
0.969 |
172 |
1924 |
|
|
17 |
A |
1067 |
1023 |
0.958 |
172 |
1925 |
|
|
18 |
A |
950 |
890 |
0.937 |
172 |
1926 |
|
|
19 |
A |
898 |
850 |
0.946 |
172 |
1927 |
|
|
20 |
A |
707 |
750 |
1.061 |
172 |
1928 |
|
|
21 |
A |
640 |
685 |
1.071 |
172 |
1929 |
|
|
22 |
A |
419 |
417 |
0.994 |
172 |
1930 |
|
|
23 |
A |
345 |
358 |
1.036 |
172 |
1931 |
|
|
24 |
A |
273 |
285 |
1.046 |
172 |
1932 |
|
|
25 |
A |
252 |
250 |
0.990 |
172 |
1933 |
|
|
26 |
A |
200 |
203 |
1.015 |
172 |
1934 |
|
|
27 |
A |
110 |
108 |
0.984 |
172 |
1935 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3189 |
2989 |
0.937 |
173 |
1936 |
|
|
2 |
A1 |
3168 |
2941 |
0.928 |
173 |
1937 |
|
|
3 |
A1 |
3056 |
2911 |
0.953 |
173 |
1938 |
|
|
4 |
A1 |
1763 |
1661 |
0.942 |
173 |
1939 |
|
|
5 |
A1 |
1551 |
1470 |
0.948 |
173 |
1940 |
|
|
6 |
A1 |
1492 |
1416 |
0.949 |
173 |
1941 |
|
|
7 |
A1 |
1468 |
1366 |
0.931 |
173 |
1942 |
|
|
8 |
A1 |
1119 |
1064 |
0.951 |
173 |
1943 |
|
|
9 |
A1 |
839 |
801 |
0.955 |
173 |
1944 |
|
|
10 |
A1 |
386 |
383 |
0.991 |
173 |
1945 |
|
|
11 |
A2 |
3115 |
2970 |
0.953 |
173 |
1946 |
|
|
12 |
A2 |
1523 |
1459 |
0.958 |
173 |
1947 |
|
|
13 |
A2 |
1056 |
1076 |
1.019 |
173 |
1948 |
|
|
14 |
A2 |
719 |
|
|
173 |
1949 |
|
|
15 |
A2 |
167 |
193 |
1.155 |
173 |
1950 |
|
|
16 |
B1 |
3118 |
2945 |
0.944 |
173 |
1951 |
|
|
17 |
B1 |
1540 |
1444 |
0.938 |
173 |
1952 |
|
|
18 |
B1 |
1150 |
1079 |
0.938 |
173 |
1953 |
|
|
19 |
B1 |
964 |
890 |
0.923 |
173 |
1954 |
|
|
20 |
B1 |
449 |
429 |
0.956 |
173 |
1955 |
|
|
21 |
B1 |
204 |
196 |
0.962 |
173 |
1956 |
|
|
22 |
B2 |
3279 |
3086 |
0.941 |
173 |
1957 |
|
|
23 |
B2 |
3166 |
2980 |
0.941 |
173 |
1958 |
|
|
24 |
B2 |
3051 |
2893 |
0.948 |
173 |
1959 |
|
|
25 |
B2 |
1534 |
1458 |
0.950 |
173 |
1960 |
|
|
26 |
B2 |
1459 |
1381 |
0.946 |
173 |
1961 |
|
|
27 |
B2 |
1344 |
1282 |
0.954 |
173 |
1962 |
|
|
28 |
B2 |
1016 |
1043 |
1.027 |
173 |
1963 |
|
|
29 |
B2 |
998 |
974 |
0.976 |
173 |
1964 |
|
|
30 |
B2 |
446 |
430 |
0.964 |
173 |
1965 |
C6H6 |
Benzene |
1 |
A1g |
3259 |
3062 |
0.939 |
174 |
1966 |
|
|
2 |
A1g |
1037 |
992 |
0.957 |
174 |
1967 |
|
|
3 |
A2g |
1425 |
1326 |
0.930 |
174 |
1968 |
|
|
4 |
A2u |
712 |
673 |
0.945 |
174 |
1969 |
|
|
5 |
B1u |
3216 |
3068 |
0.954 |
174 |
1970 |
|
|
6 |
B1u |
1053 |
1010 |
0.959 |
174 |
1971 |
|
|
7 |
B2g |
1061 |
995 |
0.937 |
174 |
1972 |
|
|
8 |
B2g |
745 |
703 |
0.944 |
174 |
1973 |
|
|
9 |
B2u |
1398 |
1310 |
0.937 |
174 |
1974 |
|
|
10 |
B2u |
1223 |
1150 |
0.940 |
174 |
1975 |
|
|
11 |
E1g |
895 |
849 |
0.948 |
174 |
1976 |
|
|
12 |
E1u |
3245 |
3063 |
0.944 |
174 |
1977 |
|
|
13 |
E1u |
1552 |
1486 |
0.958 |
174 |
1978 |
|
|
14 |
E1u |
1090 |
1038 |
0.952 |
174 |
1979 |
|
|
15 |
E2g |
3227 |
3047 |
0.944 |
174 |
1980 |
|
|
16 |
E2g |
1681 |
1596 |
0.950 |
174 |
1981 |
|
|
17 |
E2g |
1240 |
1178 |
0.950 |
174 |
1982 |
|
|
18 |
E2g |
641 |
606 |
0.946 |
174 |
1983 |
|
|
19 |
E2u |
1018 |
975 |
0.957 |
174 |
1984 |
|
|
20 |
E2u |
423 |
410 |
0.970 |
174 |
1985 |
C4H8 |
cyclobutane |
1 |
A1 |
3149 |
2951 |
0.937 |
175 |
1986 |
|
|
2 |
A1 |
3109 |
2862 |
0.921 |
175 |
1987 |
|
|
3 |
A1 |
1563 |
1468 |
0.939 |
175 |
1988 |
|
|
4 |
A1 |
1210 |
1153 |
0.953 |
175 |
1989 |
|
|
5 |
A1 |
1038 |
1004 |
0.967 |
175 |
1990 |
|
|
6 |
A1 |
169 |
199 |
1.179 |
175 |
1991 |
|
|
7 |
A2 |
1314 |
1260 |
0.959 |
175 |
1992 |
|
|
8 |
A2 |
1000 |
941 |
0.941 |
175 |
1993 |
|
|
9 |
B1 |
1290 |
1231 |
0.955 |
175 |
1994 |
|
|
10 |
B1 |
1203 |
1142 |
0.950 |
175 |
1995 |
|
|
11 |
B1 |
984 |
928 |
0.943 |
175 |
1996 |
|
|
12 |
B2 |
3182 |
2973 |
0.934 |
175 |
1997 |
|
|
13 |
B2 |
3098 |
2934 |
0.947 |
175 |
1998 |
|
|
14 |
B2 |
1538 |
1440 |
0.936 |
175 |
1999 |
|
|
15 |
B2 |
900 |
883 |
0.981 |
175 |
2000 |
|
|
16 |
B2 |
660 |
625 |
0.948 |
175 |
2001 |
|
|
17 |
E |
3162 |
2959 |
0.936 |
175 |
2002 |
|
|
18 |
E |
3100 |
2862 |
0.923 |
175 |
2003 |
|
|
19 |
E |
1532 |
1441 |
0.941 |
175 |
2004 |
|
|
20 |
E |
1325 |
1252 |
0.945 |
175 |
2005 |
|
|
21 |
E |
1277 |
1217 |
0.953 |
175 |
2006 |
|
|
22 |
E |
943 |
893 |
0.947 |
175 |
2007 |
|
|
23 |
E |
783 |
746 |
0.953 |
175 |
2008 |
CH3CH2CH2CN |
Butanenitrile |
1 |
A' |
3165 |
2977 |
0.940 |
176 |
2009 |
|
|
2 |
A' |
3089 |
2895 |
0.937 |
176 |
2010 |
|
|
3 |
A' |
3072 |
2888 |
0.940 |
176 |
2011 |
|
|
4 |
A' |
3070 |
2883 |
0.939 |
176 |
2012 |
|
|
5 |
A' |
2346 |
2263 |
0.965 |
176 |
2013 |
|
|
6 |
A' |
1558 |
1472 |
0.945 |
176 |
2014 |
|
|
7 |
A' |
1547 |
1457 |
0.942 |
176 |
2015 |
|
|
8 |
A' |
1523 |
1438 |
0.944 |
176 |
2016 |
|
|
9 |
A' |
1471 |
1393 |
0.947 |
176 |
2017 |
|
|
10 |
A' |
1415 |
1346 |
0.951 |
176 |
2018 |
|
|
11 |
A' |
1353 |
1334 |
0.986 |
176 |
2019 |
|
|
12 |
A' |
1148 |
1100 |
0.958 |
176 |
2020 |
|
|
13 |
A' |
1087 |
1053 |
0.969 |
176 |
2021 |
|
|
14 |
A' |
993 |
920 |
0.926 |
176 |
2022 |
|
|
15 |
A' |
904 |
842 |
0.931 |
176 |
2023 |
|
|
16 |
A' |
537 |
551 |
1.026 |
176 |
2024 |
|
|
17 |
A' |
356 |
358 |
1.006 |
176 |
2025 |
|
|
18 |
A' |
168 |
|
|
176 |
2026 |
|
|
19 |
A" |
3160 |
2986 |
0.945 |
176 |
2027 |
|
|
20 |
A" |
3135 |
2964 |
0.945 |
176 |
2028 |
|
|
21 |
A" |
3113 |
2950 |
0.948 |
176 |
2029 |
|
|
22 |
A" |
1552 |
1469 |
0.946 |
176 |
2030 |
|
|
23 |
A" |
1357 |
1267 |
0.933 |
176 |
2031 |
|
|
24 |
A" |
1298 |
1234 |
0.951 |
176 |
2032 |
|
|
25 |
A" |
1170 |
1083 |
0.925 |
176 |
2033 |
|
|
26 |
A" |
912 |
871 |
0.955 |
176 |
2034 |
|
|
27 |
A" |
774 |
764 |
0.987 |
176 |
2035 |
|
|
28 |
A" |
387 |
370 |
0.955 |
176 |
2036 |
|
|
29 |
A" |
244 |
|
|
176 |
2037 |
|
|
30 |
A" |
98 |
|
|
176 |
2038 |
C3H6O3 |
1,3,5-Trioxane |
1 |
A1 |
3254 |
3020 |
0.928 |
177 |
2039 |
|
|
2 |
A1 |
3021 |
2855 |
0.945 |
177 |
2040 |
|
|
3 |
A1 |
1552 |
1477 |
0.951 |
177 |
2041 |
|
|
4 |
A1 |
1226 |
1168 |
0.952 |
177 |
2042 |
|
|
5 |
A1 |
961 |
970 |
1.010 |
177 |
2043 |
|
|
6 |
A1 |
727 |
749 |
1.030 |
177 |
2044 |
|
|
7 |
A1 |
429 |
476 |
1.109 |
177 |
2045 |
|
|
8 |
A2 |
1409 |
|
|
177 |
2046 |
|
|
9 |
A2 |
1245 |
1255 |
1.008 |
177 |
2047 |
|
|
10 |
A2 |
930 |
|
|
177 |
2048 |
|
|
11 |
E |
3248 |
3020 |
0.930 |
177 |
2049 |
|
|
12 |
E |
3007 |
2855 |
0.949 |
177 |
2050 |
|
|
13 |
E |
1533 |
1477 |
0.963 |
177 |
2051 |
|
|
14 |
E |
1448 |
1412 |
0.975 |
177 |
2052 |
|
|
15 |
E |
1326 |
1309 |
0.987 |
177 |
2053 |
|
|
16 |
E |
1161 |
1168 |
1.006 |
177 |
2054 |
|
|
17 |
E |
1058 |
1068 |
1.009 |
177 |
2055 |
|
|
18 |
E |
913 |
935 |
1.024 |
177 |
2056 |
|
|
19 |
E |
507 |
524 |
1.033 |
177 |
2057 |
|
|
20 |
E |
278 |
307 |
1.104 |
177 |
2058 |
CH3SCH2CH3 |
Ethane, (methylthio)- |
1 |
A' |
3219 |
2991 |
0.929 |
178 |
2059 |
|
|
2 |
A' |
3162 |
2957 |
0.935 |
178 |
2060 |
|
|
3 |
A' |
3099 |
2920 |
0.942 |
178 |
2061 |
|
|
4 |
A' |
3095 |
2871 |
0.928 |
178 |
2062 |
|
|
5 |
A' |
3077 |
2830 |
0.920 |
178 |
2063 |
|
|
6 |
A' |
1554 |
1461 |
0.940 |
178 |
2064 |
|
|
7 |
A' |
1537 |
1435 |
0.933 |
178 |
2065 |
|
|
8 |
A' |
1529 |
1427 |
0.933 |
178 |
2066 |
|
|
9 |
A' |
1471 |
1377 |
0.936 |
178 |
2067 |
|
|
10 |
A' |
1409 |
1321 |
0.937 |
178 |
2068 |
|
|
11 |
A' |
1339 |
1262 |
0.942 |
178 |
2069 |
|
|
12 |
A' |
1126 |
1060 |
0.941 |
178 |
2070 |
|
|
13 |
A' |
1038 |
|
|
178 |
2071 |
|
|
14 |
A' |
1006 |
968 |
0.962 |
178 |
2072 |
|
|
15 |
A' |
704 |
727 |
1.032 |
178 |
2073 |
|
|
16 |
A' |
656 |
654 |
0.997 |
178 |
2074 |
|
|
17 |
A' |
342 |
353 |
1.033 |
178 |
2075 |
|
|
18 |
A' |
187 |
227 |
1.211 |
178 |
2076 |
|
|
19 |
A" |
3199 |
2991 |
0.935 |
178 |
2077 |
|
|
20 |
A" |
3181 |
2957 |
0.930 |
178 |
2078 |
|
|
21 |
A" |
3153 |
2920 |
0.926 |
178 |
2079 |
|
|
22 |
A" |
1544 |
1449 |
0.938 |
178 |
2080 |
|
|
23 |
A" |
1521 |
1435 |
0.943 |
178 |
2081 |
|
|
24 |
A" |
1304 |
1239 |
0.950 |
178 |
2082 |
|
|
25 |
A" |
1082 |
|
|
178 |
2083 |
|
|
26 |
A" |
1005 |
954 |
0.949 |
178 |
2084 |
|
|
27 |
A" |
823 |
757 |
0.919 |
178 |
2085 |
|
|
28 |
A" |
242 |
|
|
178 |
2086 |
|
|
29 |
A" |
151 |
|
|
178 |
2087 |
|
|
30 |
A" |
65 |
|
|
178 |
2088 |
C5H6S |
Thiophene, 3-methyl- |
1 |
A' |
3338 |
3111 |
0.932 |
179 |
2089 |
|
|
2 |
A' |
3328 |
3104 |
0.933 |
179 |
2090 |
|
|
3 |
A' |
3263 |
3062 |
0.938 |
179 |
2091 |
|
|
4 |
A' |
3172 |
2971 |
0.937 |
179 |
2092 |
|
|
5 |
A' |
3068 |
2923 |
0.953 |
179 |
2093 |
|
|
6 |
A' |
1652 |
1543 |
0.934 |
179 |
2094 |
|
|
7 |
A' |
1551 |
1447 |
0.933 |
179 |
2095 |
|
|
8 |
A' |
1525 |
1407 |
0.923 |
179 |
2096 |
|
|
9 |
A' |
1471 |
1385 |
0.942 |
179 |
2097 |
|
|
10 |
A' |
1432 |
1373 |
0.959 |
179 |
2098 |
|
|
11 |
A' |
1292 |
1234 |
0.955 |
179 |
2099 |
|
|
12 |
A' |
1207 |
1154 |
0.956 |
179 |
2100 |
|
|
13 |
A' |
1147 |
1080 |
0.942 |
179 |
2101 |
|
|
14 |
A' |
1052 |
993 |
0.944 |
179 |
2102 |
|
|
15 |
A' |
967 |
931 |
0.963 |
179 |
2103 |
|
|
16 |
A' |
842 |
857 |
1.018 |
179 |
2104 |
|
|
17 |
A' |
803 |
830 |
1.034 |
179 |
2105 |
|
|
18 |
A' |
665 |
659 |
0.991 |
179 |
2106 |
|
|
19 |
A' |
546 |
542 |
0.993 |
179 |
2107 |
|
|
20 |
A' |
327 |
329 |
1.007 |
179 |
2108 |
|
|
21 |
A" |
3137 |
2945 |
0.939 |
179 |
2109 |
|
|
22 |
A" |
1537 |
1452 |
0.945 |
179 |
2110 |
|
|
23 |
A" |
1106 |
1036 |
0.937 |
179 |
2111 |
|
|
24 |
A" |
946 |
874 |
0.924 |
179 |
2112 |
|
|
25 |
A" |
810 |
762 |
0.941 |
179 |
2113 |
|
|
26 |
A" |
736 |
685 |
0.931 |
179 |
2114 |
|
|
27 |
A" |
623 |
594 |
0.953 |
179 |
2115 |
|
|
28 |
A" |
453 |
464 |
1.023 |
179 |
2116 |
|
|
29 |
A" |
237 |
238 |
1.002 |
179 |
2117 |
|
|
30 |
A" |
119 |
|
|
179 |
2118 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3291 |
3088 |
0.938 |
180 |
2119 |
|
|
2 |
A |
3213 |
3017 |
0.939 |
180 |
2120 |
|
|
3 |
A |
3195 |
3011 |
0.942 |
180 |
2121 |
|
|
4 |
A |
3193 |
2990 |
0.937 |
180 |
2122 |
|
|
5 |
A |
3171 |
2974 |
0.938 |
180 |
2123 |
|
|
6 |
A |
3159 |
2967 |
0.939 |
180 |
2124 |
|
|
7 |
A |
3079 |
2927 |
0.951 |
180 |
2125 |
|
|
8 |
A |
1742 |
1645 |
0.945 |
180 |
2126 |
|
|
9 |
A |
1543 |
1452 |
0.941 |
180 |
2127 |
|
|
10 |
A |
1534 |
1447 |
0.943 |
180 |
2128 |
|
|
11 |
A |
1505 |
1424 |
0.946 |
180 |
2129 |
|
|
12 |
A |
1466 |
1375 |
0.938 |
180 |
2130 |
|
|
13 |
A |
1375 |
1297 |
0.943 |
180 |
2131 |
|
|
14 |
A |
1358 |
1283 |
0.945 |
180 |
2132 |
|
|
15 |
A |
1281 |
1233 |
0.963 |
180 |
2133 |
|
|
16 |
A |
1235 |
1174 |
0.951 |
180 |
2134 |
|
|
17 |
A |
1146 |
1090 |
0.951 |
180 |
2135 |
|
|
18 |
A |
1077 |
1025 |
0.952 |
180 |
2136 |
|
|
19 |
A |
1054 |
988 |
0.938 |
180 |
2137 |
|
|
20 |
A |
1021 |
966 |
0.946 |
180 |
2138 |
|
|
21 |
A |
1007 |
931 |
0.925 |
180 |
2139 |
|
|
22 |
A |
898 |
864 |
0.962 |
180 |
2140 |
|
|
23 |
A |
728 |
708 |
0.972 |
180 |
2141 |
|
|
24 |
A |
606 |
625 |
1.031 |
180 |
2142 |
|
|
25 |
A |
454 |
456 |
1.005 |
180 |
2143 |
|
|
26 |
A |
323 |
319 |
0.987 |
180 |
2144 |
|
|
27 |
A |
305 |
305 |
0.999 |
180 |
2145 |
|
|
28 |
A |
278 |
283 |
1.019 |
180 |
2146 |
|
|
29 |
A |
253 |
245 |
0.969 |
180 |
2147 |
|
|
30 |
A |
102 |
92 |
0.902 |
180 |
2148 |
C6H5Cl |
chlorobenzene |
1 |
A1 |
3274 |
3084 |
0.942 |
181 |
2149 |
|
|
2 |
A1 |
3258 |
3054 |
0.937 |
181 |
2150 |
|
|
3 |
A1 |
3234 |
3031 |
0.937 |
181 |
2151 |
|
|
4 |
A1 |
1665 |
1586 |
0.952 |
181 |
2152 |
|
|
5 |
A1 |
1549 |
1483 |
0.957 |
181 |
2153 |
|
|
6 |
A1 |
1238 |
1174 |
0.948 |
181 |
2154 |
|
|
7 |
A1 |
1127 |
1092 |
0.969 |
181 |
2155 |
|
|
8 |
A1 |
1069 |
1025 |
0.959 |
181 |
2156 |
|
|
9 |
A1 |
1041 |
1003 |
0.963 |
181 |
2157 |
|
|
10 |
A1 |
717 |
706 |
0.985 |
181 |
2158 |
|
|
11 |
A1 |
412 |
417 |
1.012 |
181 |
2159 |
|
|
12 |
A2 |
1020 |
961 |
0.942 |
181 |
2160 |
|
|
13 |
A2 |
880 |
832 |
0.946 |
181 |
2161 |
|
|
14 |
A2 |
429 |
403 |
0.939 |
181 |
2162 |
|
|
15 |
B1 |
1049 |
981 |
0.935 |
181 |
2163 |
|
|
16 |
B1 |
963 |
902 |
0.936 |
181 |
2164 |
|
|
17 |
B1 |
787 |
741 |
0.940 |
181 |
2165 |
|
|
18 |
B1 |
725 |
685 |
0.944 |
181 |
2166 |
|
|
19 |
B1 |
494 |
467 |
0.946 |
181 |
2167 |
|
|
20 |
B1 |
192 |
198 |
1.031 |
181 |
2168 |
|
|
21 |
B2 |
3271 |
3098 |
0.947 |
181 |
2169 |
|
|
22 |
B2 |
3244 |
3067 |
0.945 |
181 |
2170 |
|
|
23 |
B2 |
1677 |
1598 |
0.953 |
181 |
2171 |
|
|
24 |
B2 |
1516 |
1448 |
0.955 |
181 |
2172 |
|
|
25 |
B2 |
1396 |
1326 |
0.950 |
181 |
2173 |
|
|
26 |
B2 |
1377 |
1271 |
0.923 |
181 |
2174 |
|
|
27 |
B2 |
1229 |
1157 |
0.942 |
181 |
2175 |
|
|
28 |
B2 |
1127 |
1068 |
0.948 |
181 |
2176 |
|
|
29 |
B2 |
645 |
615 |
0.953 |
181 |
2177 |
|
|
30 |
B2 |
290 |
295 |
1.015 |
181 |
2178 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3293 |
3095 |
0.940 |
182 |
2179 |
|
|
2 |
A' |
3287 |
3095 |
0.942 |
182 |
2180 |
|
|
3 |
A' |
3206 |
3000 |
0.936 |
182 |
2181 |
|
|
4 |
A' |
3195 |
3000 |
0.939 |
182 |
2182 |
|
|
5 |
A' |
3188 |
3000 |
0.941 |
182 |
2183 |
|
|
6 |
A' |
3174 |
2984 |
0.940 |
182 |
2184 |
|
|
7 |
A' |
3065 |
2904 |
0.947 |
182 |
2185 |
|
|
8 |
A' |
1746 |
1638 |
0.938 |
182 |
2186 |
|
|
9 |
A' |
1700 |
1607 |
0.945 |
182 |
2187 |
|
|
10 |
A' |
1551 |
1464 |
0.944 |
182 |
2188 |
|
|
11 |
A' |
1507 |
1420 |
0.942 |
182 |
2189 |
|
|
12 |
A' |
1478 |
1389 |
0.940 |
182 |
2190 |
|
|
13 |
A' |
1463 |
1363 |
0.931 |
182 |
2191 |
|
|
14 |
A' |
1378 |
1313 |
0.953 |
182 |
2192 |
|
|
15 |
A' |
1366 |
1303 |
0.954 |
182 |
2193 |
|
|
16 |
A' |
1125 |
1072 |
0.953 |
182 |
2194 |
|
|
17 |
A' |
1046 |
1012 |
0.967 |
182 |
2195 |
|
|
18 |
A' |
993 |
953 |
0.960 |
182 |
2196 |
|
|
19 |
A' |
814 |
770 |
0.946 |
182 |
2197 |
|
|
20 |
A' |
551 |
530 |
0.963 |
182 |
2198 |
|
|
21 |
A' |
435 |
396 |
0.910 |
182 |
2199 |
|
|
22 |
A' |
282 |
196 |
0.696 |
182 |
2200 |
|
|
23 |
A" |
3134 |
2949 |
0.941 |
182 |
2201 |
|
|
24 |
A" |
1533 |
1451 |
0.947 |
182 |
2202 |
|
|
25 |
A" |
1112 |
1034 |
0.930 |
182 |
2203 |
|
|
26 |
A" |
1056 |
991 |
0.938 |
182 |
2204 |
|
|
27 |
A" |
979 |
907 |
0.927 |
182 |
2205 |
|
|
28 |
A" |
968 |
907 |
0.937 |
182 |
2206 |
|
|
29 |
A" |
801 |
757 |
0.945 |
182 |
2207 |
|
|
30 |
A" |
657 |
615 |
0.936 |
182 |
2208 |
|
|
31 |
A" |
414 |
290 |
0.700 |
182 |
2209 |
|
|
32 |
A" |
199 |
153 |
0.770 |
182 |
2210 |
C5H8 |
Cyclopentene |
1 |
A' |
3266 |
3066 |
0.939 |
183 |
2211 |
|
|
2 |
A' |
3154 |
2958 |
0.938 |
183 |
2212 |
|
|
3 |
A' |
3111 |
2916 |
0.937 |
183 |
2213 |
|
|
4 |
A' |
3089 |
2902 |
0.939 |
183 |
2214 |
|
|
5 |
A' |
3051 |
2852 |
0.935 |
183 |
2215 |
|
|
6 |
A' |
1721 |
1616 |
0.939 |
183 |
2216 |
|
|
7 |
A' |
1556 |
1467 |
0.943 |
183 |
2217 |
|
|
8 |
A' |
1535 |
1449 |
0.944 |
183 |
2218 |
|
|
9 |
A' |
1361 |
1302 |
0.957 |
183 |
2219 |
|
|
10 |
A' |
1263 |
1284 |
1.017 |
183 |
2220 |
|
|
11 |
A' |
1166 |
1213 |
1.041 |
183 |
2221 |
|
|
12 |
A' |
1104 |
1048 |
0.949 |
183 |
2222 |
|
|
13 |
A' |
1009 |
964 |
0.955 |
183 |
2223 |
|
|
14 |
A' |
929 |
962 |
1.036 |
183 |
2224 |
|
|
15 |
A' |
843 |
904 |
1.073 |
183 |
2225 |
|
|
16 |
A' |
741 |
692 |
0.934 |
183 |
2226 |
|
|
17 |
A' |
644 |
603 |
0.936 |
183 |
2227 |
|
|
18 |
A' |
127 |
254 |
2.001 |
183 |
2228 |
|
|
19 |
A" |
3236 |
3039 |
0.939 |
183 |
2229 |
|
|
20 |
A" |
3103 |
2967 |
0.956 |
183 |
2230 |
|
|
21 |
A" |
3051 |
2927 |
0.959 |
183 |
2231 |
|
|
22 |
A" |
1540 |
1467 |
0.952 |
183 |
2232 |
|
|
23 |
A" |
1414 |
1432 |
1.012 |
183 |
2233 |
|
|
24 |
A" |
1363 |
1356 |
0.995 |
183 |
2234 |
|
|
25 |
A" |
1343 |
1302 |
0.969 |
183 |
2235 |
|
|
26 |
A" |
1257 |
1297 |
1.032 |
183 |
2236 |
|
|
27 |
A" |
1189 |
1207 |
1.015 |
183 |
2237 |
|
|
28 |
A" |
1083 |
1113 |
1.028 |
183 |
2238 |
|
|
29 |
A" |
1008 |
1082 |
1.074 |
183 |
2239 |
|
|
30 |
A" |
949 |
937 |
0.987 |
183 |
2240 |
|
|
31 |
A" |
923 |
800 |
0.866 |
183 |
2241 |
|
|
32 |
A" |
805 |
702 |
0.872 |
183 |
2242 |
|
|
33 |
A" |
397 |
387 |
0.974 |
183 |
2243 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3181 |
2987 |
0.939 |
184 |
2244 |
|
|
2 |
A1 |
3168 |
2941 |
0.928 |
184 |
2245 |
|
|
3 |
A1 |
3058 |
2916 |
0.954 |
184 |
2246 |
|
|
4 |
A1 |
2113 |
1996 |
0.945 |
184 |
2247 |
|
|
5 |
A1 |
1560 |
1470 |
0.942 |
184 |
2248 |
|
|
6 |
A1 |
1521 |
1438 |
0.945 |
184 |
2249 |
|
|
7 |
A1 |
1465 |
1369 |
0.934 |
184 |
2250 |
|
|
8 |
A1 |
1360 |
1286 |
0.946 |
184 |
2251 |
|
|
9 |
A1 |
1057 |
973 |
0.921 |
184 |
2252 |
|
|
10 |
A1 |
755 |
726 |
0.962 |
184 |
2253 |
|
|
11 |
A1 |
351 |
349 |
0.994 |
184 |
2254 |
|
|
12 |
A2 |
3121 |
2941 |
0.942 |
184 |
2255 |
|
|
13 |
A2 |
1527 |
1470 |
0.963 |
184 |
2256 |
|
|
14 |
A2 |
1039 |
985 |
0.948 |
184 |
2257 |
|
|
15 |
A2 |
628 |
617 |
0.982 |
184 |
2258 |
|
|
17 |
B1 |
3245 |
3051 |
0.940 |
184 |
2259 |
|
|
18 |
B1 |
3123 |
2941 |
0.942 |
184 |
2260 |
|
|
19 |
B1 |
1542 |
1470 |
0.953 |
184 |
2261 |
|
|
20 |
B1 |
1140 |
1068 |
0.937 |
184 |
2262 |
|
|
21 |
B1 |
1068 |
1004 |
0.940 |
184 |
2263 |
|
|
22 |
B1 |
479 |
443 |
0.924 |
184 |
2264 |
|
|
23 |
B1 |
266 |
187 |
0.703 |
184 |
2265 |
|
|
25 |
B2 |
3180 |
2941 |
0.925 |
184 |
2266 |
|
|
26 |
B2 |
3054 |
2916 |
0.955 |
184 |
2267 |
|
|
27 |
B2 |
1533 |
1470 |
0.959 |
184 |
2268 |
|
|
28 |
B2 |
1451 |
1369 |
0.944 |
184 |
2269 |
|
|
29 |
B2 |
1249 |
1191 |
0.954 |
184 |
2270 |
|
|
30 |
B2 |
1003 |
968 |
0.965 |
184 |
2271 |
|
|
31 |
B2 |
938 |
848 |
0.904 |
184 |
2272 |
|
|
32 |
B2 |
620 |
554 |
0.894 |
184 |
2273 |
|
|
33 |
B2 |
188 |
187 |
0.996 |
184 |
2274 |
C5H8 |
Spiropentane |
1 |
A1 |
3179 |
3000 |
0.944 |
185 |
2275 |
|
|
2 |
A1 |
1538 |
1423 |
0.925 |
185 |
2276 |
|
|
3 |
A1 |
1129 |
1160 |
1.028 |
185 |
2277 |
|
|
4 |
A1 |
1091 |
1037 |
0.951 |
185 |
2278 |
|
|
5 |
A1 |
619 |
588 |
0.950 |
185 |
2279 |
|
|
6 |
A2 |
3257 |
3070 |
0.942 |
185 |
2280 |
|
|
7 |
A2 |
1201 |
1174 |
0.977 |
185 |
2281 |
|
|
8 |
A2 |
877 |
919 |
1.048 |
185 |
2282 |
|
|
9 |
B1 |
3257 |
3066 |
0.941 |
185 |
2283 |
|
|
10 |
B1 |
1214 |
1166 |
0.961 |
185 |
2284 |
|
|
11 |
B1 |
1055 |
888 |
0.842 |
185 |
2285 |
|
|
12 |
B1 |
302 |
300 |
0.994 |
185 |
2286 |
|
|
13 |
B2 |
3179 |
3000 |
0.944 |
185 |
2287 |
|
|
14 |
B2 |
1621 |
1521 |
0.938 |
185 |
2288 |
|
|
15 |
B2 |
1490 |
1415 |
0.949 |
185 |
2289 |
|
|
16 |
B2 |
1072 |
990 |
0.924 |
185 |
2290 |
|
|
17 |
B2 |
931 |
872 |
0.937 |
185 |
2291 |
|
|
18 |
E |
3272 |
3067 |
0.937 |
185 |
2292 |
|
|
19 |
E |
3173 |
2985 |
0.941 |
185 |
2293 |
|
|
20 |
E |
1514 |
1431 |
0.945 |
185 |
2294 |
|
|
21 |
E |
1222 |
1150 |
0.941 |
185 |
2295 |
|
|
22 |
E |
1140 |
1049 |
0.920 |
185 |
2296 |
|
|
23 |
E |
913 |
870 |
0.953 |
185 |
2297 |
|
|
24 |
E |
818 |
780 |
0.953 |
185 |
2298 |
|
|
25 |
E |
321 |
308 |
0.958 |
185 |
2299 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3109 |
2953 |
0.950 |
186 |
2300 |
|
|
2 |
A1 |
2960 |
2775 |
0.937 |
186 |
2301 |
|
|
3 |
A1 |
1552 |
1459 |
0.940 |
186 |
2302 |
|
|
4 |
A1 |
1525 |
1444 |
0.947 |
186 |
2303 |
|
|
5 |
A1 |
1224 |
1186 |
0.969 |
186 |
2304 |
|
|
6 |
A1 |
836 |
828 |
0.991 |
186 |
2305 |
|
|
7 |
A1 |
310 |
367 |
1.185 |
186 |
2306 |
|
|
8 |
A2 |
3160 |
2977 |
0.942 |
186 |
2307 |
|
|
9 |
A2 |
1542 |
1453 |
0.942 |
186 |
2308 |
|
|
10 |
A2 |
1097 |
1046 |
0.954 |
186 |
2309 |
|
|
11 |
A2 |
258 |
255 |
0.986 |
186 |
2310 |
|
|
12 |
E |
3165 |
2981 |
0.942 |
186 |
2311 |
|
|
13 |
E |
3106 |
2953 |
0.951 |
186 |
2312 |
|
|
14 |
E |
2943 |
2776 |
0.943 |
186 |
2313 |
|
|
15 |
E |
1562 |
1471 |
0.941 |
186 |
2314 |
|
|
16 |
E |
1530 |
1444 |
0.943 |
186 |
2315 |
|
|
17 |
E |
1490 |
1409 |
0.946 |
186 |
2316 |
|
|
18 |
E |
1346 |
1275 |
0.947 |
186 |
2317 |
|
|
19 |
E |
1150 |
1103 |
0.959 |
186 |
2318 |
|
|
20 |
E |
1091 |
1043 |
0.956 |
186 |
2319 |
|
|
21 |
E |
427 |
424 |
0.992 |
186 |
2320 |
|
|
22 |
E |
249 |
281 |
1.128 |
186 |
2321 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3169 |
2974 |
0.939 |
187 |
2322 |
|
|
2 |
A' |
3158 |
2953 |
0.935 |
187 |
2323 |
|
|
3 |
A' |
3107 |
2940 |
0.946 |
187 |
2324 |
|
|
4 |
A' |
3069 |
2876 |
0.937 |
187 |
2325 |
|
|
5 |
A' |
2957 |
2757 |
0.932 |
187 |
2326 |
|
|
6 |
A' |
1764 |
1752 |
0.993 |
187 |
2327 |
|
|
7 |
A' |
1559 |
1474 |
0.945 |
187 |
2328 |
|
|
8 |
A' |
1553 |
1449 |
0.933 |
187 |
2329 |
|
|
9 |
A' |
1471 |
1399 |
0.951 |
187 |
2330 |
|
|
10 |
A' |
1442 |
1381 |
0.958 |
187 |
2331 |
|
|
11 |
A' |
1357 |
1329 |
0.979 |
187 |
2332 |
|
|
12 |
A' |
1222 |
1182 |
0.967 |
187 |
2333 |
|
|
13 |
A' |
1217 |
1138 |
0.935 |
187 |
2334 |
|
|
14 |
A' |
953 |
922 |
0.968 |
187 |
2335 |
|
|
15 |
A' |
871 |
800 |
0.919 |
187 |
2336 |
|
|
16 |
A' |
553 |
632 |
1.143 |
187 |
2337 |
|
|
17 |
A' |
355 |
395 |
1.113 |
187 |
2338 |
|
|
18 |
A' |
341 |
272 |
0.799 |
187 |
2339 |
|
|
19 |
A' |
230 |
212 |
0.921 |
187 |
2340 |
|
|
20 |
A" |
3167 |
2990 |
0.944 |
187 |
2341 |
|
|
21 |
A" |
3152 |
2982 |
0.946 |
187 |
2342 |
|
|
22 |
A" |
3067 |
2885 |
0.941 |
187 |
2343 |
|
|
23 |
A" |
1541 |
1467 |
0.952 |
187 |
2344 |
|
|
24 |
A" |
1537 |
1452 |
0.944 |
187 |
2345 |
|
|
25 |
A" |
1451 |
1437 |
0.990 |
187 |
2346 |
|
|
26 |
A" |
1378 |
1290 |
0.936 |
187 |
2347 |
|
|
27 |
A" |
1161 |
1109 |
0.955 |
187 |
2348 |
|
|
28 |
A" |
1013 |
965 |
0.952 |
187 |
2349 |
|
|
29 |
A" |
984 |
942 |
0.957 |
187 |
2350 |
|
|
30 |
A" |
966 |
933 |
0.966 |
187 |
2351 |
|
|
31 |
A" |
334 |
351 |
1.052 |
187 |
2352 |
|
|
32 |
A" |
209 |
227 |
1.084 |
187 |
2353 |
|
|
33 |
A" |
57 |
75 |
1.319 |
187 |
2354 |
CH3CH(CH3)CH3 |
Isobutane |
1 |
A1 |
3147 |
2965 |
0.942 |
188 |
2355 |
|
|
2 |
A1 |
3061 |
2904 |
0.949 |
188 |
2356 |
|
|
3 |
A1 |
3042 |
2880 |
0.947 |
188 |
2357 |
|
|
4 |
A1 |
1561 |
1477 |
0.946 |
188 |
2358 |
|
|
5 |
A1 |
1475 |
1394 |
0.945 |
188 |
2359 |
|
|
6 |
A1 |
1250 |
1177 |
0.942 |
188 |
2360 |
|
|
7 |
A1 |
821 |
797 |
0.970 |
188 |
2361 |
|
|
8 |
A1 |
445 |
426 |
0.958 |
188 |
2362 |
|
|
9 |
A2 |
3144 |
|
|
188 |
2363 |
|
|
10 |
A2 |
1531 |
|
|
188 |
2364 |
|
|
11 |
A2 |
987 |
|
|
188 |
2365 |
|
|
12 |
A2 |
210 |
198 |
0.945 |
188 |
2366 |
|
|
13 |
E |
3150 |
2962 |
0.940 |
188 |
2367 |
|
|
14 |
E |
3137 |
2951 |
0.941 |
188 |
2368 |
|
|
15 |
E |
3054 |
2887 |
0.945 |
188 |
2369 |
|
|
16 |
E |
1556 |
1468 |
0.944 |
188 |
2370 |
|
|
17 |
E |
1538 |
1459 |
0.949 |
188 |
2371 |
|
|
18 |
E |
1448 |
1371 |
0.947 |
188 |
2372 |
|
|
19 |
E |
1396 |
1330 |
0.953 |
188 |
2373 |
|
|
20 |
E |
1232 |
1166 |
0.947 |
188 |
2374 |
|
|
21 |
E |
1007 |
961 |
0.954 |
188 |
2375 |
|
|
22 |
E |
954 |
918 |
0.962 |
188 |
2376 |
|
|
23 |
E |
368 |
367 |
0.997 |
188 |
2377 |
|
|
24 |
E |
255 |
280 |
1.100 |
188 |
2378 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
436 |
1442 |
3.306 |
189 |
2379 |
|
|
|
Ag |
866 |
1151 |
1.329 |
189 |
2380 |
|
|
|
Au |
1326 |
1257 |
0.948 |
189 |
2381 |
|
|
|
Bg |
1550 |
1300 |
0.839 |
189 |
2382 |
|
|
|
Bu |
3056 |
2870 |
0.939 |
189 |
2383 |
|
|
|
Bu |
3062 |
2853 |
0.932 |
189 |
2384 |
|
|
|
Bu |
3152 |
271 |
0.086 |
189 |
2385 |
C6H8 |
(E)-hexa-1,3,5-triene |
1 |
Ag |
3291 |
3085 |
0.937 |
190 |
2386 |
|
|
2 |
Ag |
3198 |
3054 |
0.955 |
190 |
2387 |
|
|
3 |
Ag |
3188 |
3054 |
0.958 |
190 |
2388 |
|
|
4 |
Ag |
3179 |
2989 |
0.940 |
190 |
2389 |
|
|
5 |
Ag |
1741 |
1627 |
0.935 |
190 |
2390 |
|
|
6 |
Ag |
1675 |
1579 |
0.942 |
190 |
2391 |
|
|
7 |
Ag |
1483 |
1400 |
0.944 |
190 |
2392 |
|
|
8 |
Ag |
1377 |
1288 |
0.936 |
190 |
2393 |
|
|
9 |
Ag |
1352 |
1220 |
0.903 |
190 |
2394 |
|
|
10 |
Ag |
1265 |
1192 |
0.942 |
190 |
2395 |
|
|
11 |
Ag |
976 |
934 |
0.956 |
190 |
2396 |
|
|
12 |
Ag |
457 |
444 |
0.972 |
190 |
2397 |
|
|
13 |
Ag |
358 |
355 |
0.992 |
190 |
2398 |
|
|
14 |
Au |
1081 |
1013 |
0.937 |
190 |
2399 |
|
|
15 |
Au |
1002 |
941 |
0.939 |
190 |
2400 |
|
|
16 |
Au |
969 |
901 |
0.930 |
190 |
2401 |
|
|
17 |
Au |
726 |
683 |
0.940 |
190 |
2402 |
|
|
18 |
Au |
257 |
|
|
190 |
2403 |
|
|
19 |
Au |
102 |
90 |
0.886 |
190 |
2404 |
|
|
20 |
Bg |
1052 |
988 |
0.939 |
190 |
2405 |
|
|
21 |
Bg |
980 |
928 |
0.947 |
190 |
2406 |
|
|
22 |
Bg |
938 |
872 |
0.930 |
190 |
2407 |
|
|
23 |
Bg |
629 |
|
|
190 |
2408 |
|
|
24 |
Bg |
226 |
217 |
0.958 |
190 |
2409 |
|
|
25 |
Bu |
3291 |
3099 |
0.942 |
190 |
2410 |
|
|
26 |
Bu |
3198 |
3045 |
0.952 |
190 |
2411 |
|
|
27 |
Bu |
3192 |
3019 |
0.946 |
190 |
2412 |
|
|
28 |
Bu |
3180 |
2953 |
0.929 |
190 |
2413 |
|
|
29 |
Bu |
1729 |
1629 |
0.942 |
190 |
2414 |
|
|
30 |
Bu |
1515 |
1432 |
0.945 |
190 |
2415 |
|
|
31 |
Bu |
1367 |
1295 |
0.947 |
190 |
2416 |
|
|
32 |
Bu |
1332 |
1255 |
0.942 |
190 |
2417 |
|
|
33 |
Bu |
1199 |
1186 |
0.989 |
190 |
2418 |
|
|
34 |
Bu |
1012 |
963 |
0.951 |
190 |
2419 |
|
|
35 |
Bu |
557 |
590 |
1.059 |
190 |
2420 |
|
|
36 |
Bu |
150 |
170 |
1.135 |
190 |
2421 |
C4H9N |
Pyrrolidine |
1 |
A' |
3621 |
3356 |
0.927 |
191 |
2422 |
|
|
2 |
A' |
3170 |
2975 |
0.938 |
191 |
2423 |
|
|
3 |
A' |
3130 |
2927 |
0.935 |
191 |
2424 |
|
|
4 |
A' |
3110 |
2889 |
0.929 |
191 |
2425 |
|
|
5 |
A' |
2956 |
2824 |
0.955 |
191 |
2426 |
|
|
6 |
A' |
1579 |
1484 |
0.940 |
191 |
2427 |
|
|
7 |
A' |
1555 |
1447 |
0.930 |
191 |
2428 |
|
|
8 |
A' |
1428 |
1292 |
0.905 |
191 |
2429 |
|
|
9 |
A' |
1349 |
1273 |
0.944 |
191 |
2430 |
|
|
10 |
A' |
1268 |
1228 |
0.969 |
191 |
2431 |
|
|
11 |
A' |
1253 |
1181 |
0.942 |
191 |
2432 |
|
|
12 |
A' |
1108 |
974 |
0.879 |
191 |
2433 |
|
|
13 |
A' |
1029 |
920 |
0.894 |
191 |
2434 |
|
|
14 |
A' |
973 |
901 |
0.926 |
191 |
2435 |
|
|
15 |
A' |
923 |
871 |
0.944 |
191 |
2436 |
|
|
16 |
A' |
847 |
832 |
0.982 |
191 |
2437 |
|
|
17 |
A' |
742 |
789 |
1.064 |
191 |
2438 |
|
|
18 |
A' |
544 |
579 |
1.065 |
191 |
2439 |
|
|
19 |
A' |
261 |
299 |
1.144 |
191 |
2440 |
|
|
20 |
A" |
3148 |
2967 |
0.942 |
191 |
2441 |
|
|
21 |
A" |
3123 |
2916 |
0.934 |
191 |
2442 |
|
|
22 |
A" |
3099 |
2879 |
0.929 |
191 |
2443 |
|
|
23 |
A" |
2948 |
2818 |
0.956 |
191 |
2444 |
|
|
24 |
A" |
1564 |
1459 |
0.933 |
191 |
2445 |
|
|
25 |
A" |
1539 |
1412 |
0.918 |
191 |
2446 |
|
|
26 |
A" |
1488 |
1341 |
0.901 |
191 |
2447 |
|
|
27 |
A" |
1373 |
1268 |
0.923 |
191 |
2448 |
|
|
28 |
A" |
1344 |
1211 |
0.901 |
191 |
2449 |
|
|
29 |
A" |
1285 |
1203 |
0.936 |
191 |
2450 |
|
|
30 |
A" |
1230 |
1171 |
0.952 |
191 |
2451 |
|
|
31 |
A" |
1177 |
1099 |
0.934 |
191 |
2452 |
|
|
32 |
A" |
1151 |
1023 |
0.889 |
191 |
2453 |
|
|
33 |
A" |
964 |
883 |
0.916 |
191 |
2454 |
|
|
34 |
A" |
903 |
848 |
0.939 |
191 |
2455 |
|
|
35 |
A" |
663 |
600 |
0.905 |
191 |
2456 |
|
|
36 |
A" |
41 |
65 |
1.603 |
191 |
2457 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3581 |
3345 |
0.934 |
192 |
2458 |
|
|
2 |
A' |
3192 |
2975 |
0.932 |
192 |
2459 |
|
|
3 |
A' |
3162 |
2950 |
0.933 |
192 |
2460 |
|
|
4 |
A' |
3121 |
2918 |
0.935 |
192 |
2461 |
|
|
5 |
A' |
3103 |
2905 |
0.936 |
192 |
2462 |
|
|
6 |
A' |
2991 |
2887 |
0.965 |
192 |
2463 |
|
|
7 |
A' |
1714 |
1614 |
0.942 |
192 |
2464 |
|
|
8 |
A' |
1543 |
1467 |
0.951 |
192 |
2465 |
|
|
9 |
A' |
1524 |
1443 |
0.947 |
192 |
2466 |
|
|
10 |
A' |
1415 |
1390 |
0.982 |
192 |
2467 |
|
|
11 |
A' |
1322 |
1291 |
0.977 |
192 |
2468 |
|
|
12 |
A' |
1275 |
1237 |
0.971 |
192 |
2469 |
|
|
13 |
A' |
1202 |
1137 |
0.946 |
192 |
2470 |
|
|
14 |
A' |
1102 |
1120 |
1.016 |
192 |
2471 |
|
|
15 |
A' |
982 |
1050 |
1.070 |
192 |
2472 |
|
|
16 |
A' |
913 |
965 |
1.057 |
192 |
2473 |
|
|
17 |
A' |
863 |
788 |
0.913 |
192 |
2474 |
|
|
18 |
A' |
703 |
752 |
1.069 |
192 |
2475 |
|
|
19 |
A' |
596 |
606 |
1.017 |
192 |
2476 |
|
|
20 |
A' |
416 |
448 |
1.076 |
192 |
2477 |
|
|
21 |
A' |
155 |
174 |
1.124 |
192 |
2478 |
|
|
22 |
A" |
3703 |
3411 |
0.921 |
192 |
2479 |
|
|
23 |
A" |
3166 |
2970 |
0.938 |
192 |
2480 |
|
|
24 |
A" |
3098 |
2957 |
0.954 |
192 |
2481 |
|
|
25 |
A" |
1517 |
1452 |
0.957 |
192 |
2482 |
|
|
26 |
A" |
1365 |
1213 |
0.889 |
192 |
2483 |
|
|
27 |
A" |
1321 |
1185 |
0.897 |
192 |
2484 |
|
|
28 |
A" |
1296 |
1168 |
0.901 |
192 |
2485 |
|
|
29 |
A" |
1240 |
1036 |
0.835 |
192 |
2486 |
|
|
30 |
A" |
1190 |
|
|
192 |
2487 |
|
|
31 |
A" |
1058 |
925 |
0.874 |
192 |
2488 |
|
|
32 |
A" |
973 |
912 |
0.937 |
192 |
2489 |
|
|
33 |
A" |
937 |
883 |
0.942 |
192 |
2490 |
|
|
34 |
A" |
799 |
788 |
0.987 |
192 |
2491 |
|
|
35 |
A" |
403 |
354 |
0.879 |
192 |
2492 |
|
|
36 |
A" |
245 |
240 |
0.978 |
192 |
2493 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3171 |
2968 |
0.936 |
193 |
2494 |
|
|
2 |
Ag |
3052 |
2856 |
0.936 |
193 |
2495 |
|
|
3 |
Ag |
1535 |
1444 |
0.940 |
193 |
2496 |
|
|
4 |
Ag |
1434 |
1397 |
0.974 |
193 |
2497 |
|
|
5 |
Ag |
1336 |
1305 |
0.977 |
193 |
2498 |
|
|
6 |
Ag |
1164 |
1128 |
0.969 |
193 |
2499 |
|
|
7 |
Ag |
1043 |
1015 |
0.973 |
193 |
2500 |
|
|
8 |
Ag |
843 |
837 |
0.992 |
193 |
2501 |
|
|
9 |
Ag |
432 |
435 |
1.008 |
193 |
2502 |
|
|
10 |
Ag |
404 |
424 |
1.049 |
193 |
2503 |
|
|
11 |
Au |
3168 |
2970 |
0.938 |
193 |
2504 |
|
|
12 |
Au |
3047 |
2863 |
0.940 |
193 |
2505 |
|
|
13 |
Au |
1522 |
1449 |
0.952 |
193 |
2506 |
|
|
14 |
Au |
1406 |
1369 |
0.974 |
193 |
2507 |
|
|
15 |
Au |
1296 |
1256 |
0.969 |
193 |
2508 |
|
|
16 |
Au |
1144 |
1136 |
0.993 |
193 |
2509 |
|
|
17 |
Au |
1112 |
1086 |
0.976 |
193 |
2510 |
|
|
18 |
Au |
917 |
881 |
0.961 |
193 |
2511 |
|
|
19 |
Au |
241 |
288 |
1.195 |
193 |
2512 |
|
|
20 |
Bg |
3169 |
2968 |
0.937 |
193 |
2513 |
|
|
21 |
Bg |
3057 |
2856 |
0.934 |
193 |
2514 |
|
|
22 |
Bg |
1524 |
1459 |
0.957 |
193 |
2515 |
|
|
23 |
Bg |
1392 |
1335 |
0.959 |
193 |
2516 |
|
|
24 |
Bg |
1245 |
1217 |
0.978 |
193 |
2517 |
|
|
25 |
Bg |
1121 |
1110 |
0.990 |
193 |
2518 |
|
|
26 |
Bg |
875 |
853 |
0.975 |
193 |
2519 |
|
|
27 |
Bg |
482 |
490 |
1.017 |
193 |
2520 |
|
|
28 |
Bu |
3172 |
2970 |
0.936 |
193 |
2521 |
|
|
29 |
Bu |
3061 |
2863 |
0.935 |
193 |
2522 |
|
|
30 |
Bu |
1533 |
1457 |
0.951 |
193 |
2523 |
|
|
31 |
Bu |
1438 |
1378 |
0.958 |
193 |
2524 |
|
|
32 |
Bu |
1322 |
1291 |
0.976 |
193 |
2525 |
|
|
33 |
Bu |
1078 |
1052 |
0.976 |
193 |
2526 |
|
|
34 |
Bu |
851 |
889 |
1.044 |
193 |
2527 |
|
|
35 |
Bu |
609 |
610 |
1.002 |
193 |
2528 |
|
|
36 |
Bu |
261 |
274 |
1.049 |
193 |
2529 |
C6H5CHO |
benzaldehyde |
1 |
A' |
3263 |
3099 |
0.950 |
194 |
2530 |
|
|
2 |
A' |
3254 |
3081 |
0.947 |
194 |
2531 |
|
|
3 |
A' |
3243 |
3081 |
0.950 |
194 |
2532 |
|
|
4 |
A' |
3231 |
3043 |
0.942 |
194 |
2533 |
|
|
5 |
A' |
3218 |
3034 |
0.943 |
194 |
2534 |
|
|
6 |
A' |
3002 |
2806 |
0.935 |
194 |
2535 |
|
|
7 |
A' |
1739 |
1728 |
0.994 |
194 |
2536 |
|
|
8 |
A' |
1688 |
1614 |
0.956 |
194 |
2537 |
|
|
9 |
A' |
1664 |
1603 |
0.963 |
194 |
2538 |
|
|
10 |
A' |
1563 |
1492 |
0.954 |
194 |
2539 |
|
|
11 |
A' |
1524 |
1460 |
0.958 |
194 |
2540 |
|
|
12 |
A' |
1451 |
1387 |
0.956 |
194 |
2541 |
|
|
13 |
A' |
1409 |
1314 |
0.932 |
194 |
2542 |
|
|
14 |
A' |
1381 |
1276 |
0.924 |
194 |
2543 |
|
|
15 |
A' |
1275 |
1202 |
0.943 |
194 |
2544 |
|
|
16 |
A' |
1233 |
1168 |
0.947 |
194 |
2545 |
|
|
17 |
A' |
1229 |
1158 |
0.942 |
194 |
2546 |
|
|
18 |
A' |
1133 |
1074 |
0.948 |
194 |
2547 |
|
|
19 |
A' |
1072 |
1026 |
0.957 |
194 |
2548 |
|
|
20 |
A' |
1045 |
996 |
0.953 |
194 |
2549 |
|
|
21 |
A' |
862 |
825 |
0.958 |
194 |
2550 |
|
|
22 |
A' |
674 |
649 |
0.963 |
194 |
2551 |
|
|
23 |
A' |
650 |
617 |
0.950 |
194 |
2552 |
|
|
24 |
A' |
456 |
437 |
0.959 |
194 |
2553 |
|
|
25 |
A' |
221 |
224 |
1.014 |
194 |
2554 |
|
|
26 |
A" |
1067 |
1003 |
0.940 |
194 |
2555 |
|
|
27 |
A" |
1048 |
996 |
0.950 |
194 |
2556 |
|
|
28 |
A" |
1033 |
978 |
0.947 |
194 |
2557 |
|
|
29 |
A" |
974 |
918 |
0.942 |
194 |
2558 |
|
|
30 |
A" |
897 |
852 |
0.949 |
194 |
2559 |
|
|
31 |
A" |
789 |
740 |
0.938 |
194 |
2560 |
|
|
32 |
A" |
727 |
688 |
0.946 |
194 |
2561 |
|
|
33 |
A" |
481 |
450 |
0.937 |
194 |
2562 |
|
|
34 |
A" |
428 |
400 |
0.934 |
194 |
2563 |
|
|
35 |
A" |
247 |
217 |
0.877 |
194 |
2564 |
|
|
36 |
A" |
129 |
111 |
0.858 |
194 |
2565 |
C2H5SC2H5 |
Diethyl sulfide |
1 |
A1 |
3160 |
2967 |
0.939 |
195 |
2566 |
|
|
2 |
A1 |
3096 |
2874 |
0.928 |
195 |
2567 |
|
|
3 |
A1 |
3077 |
2853 |
0.927 |
195 |
2568 |
|
|
4 |
A1 |
1555 |
1450 |
0.933 |
195 |
2569 |
|
|
5 |
A1 |
1540 |
1427 |
0.926 |
195 |
2570 |
|
|
6 |
A1 |
1470 |
1380 |
0.939 |
195 |
2571 |
|
|
7 |
A1 |
1357 |
1270 |
0.936 |
195 |
2572 |
|
|
8 |
A1 |
1135 |
1047 |
0.923 |
195 |
2573 |
|
|
9 |
A1 |
1039 |
974 |
0.938 |
195 |
2574 |
|
|
10 |
A1 |
671 |
657 |
0.978 |
195 |
2575 |
|
|
11 |
A1 |
322 |
334 |
1.038 |
195 |
2576 |
|
|
12 |
A1 |
132 |
|
|
195 |
2577 |
|
|
13 |
A2 |
3181 |
2967 |
0.933 |
195 |
2578 |
|
|
14 |
A2 |
3152 |
2930 |
0.929 |
195 |
2579 |
|
|
15 |
A2 |
1544 |
|
|
195 |
2580 |
|
|
16 |
A2 |
1300 |
|
|
195 |
2581 |
|
|
17 |
A2 |
1068 |
|
|
195 |
2582 |
|
|
18 |
A2 |
815 |
|
|
195 |
2583 |
|
|
19 |
A2 |
245 |
|
|
195 |
2584 |
|
|
20 |
A2 |
66 |
|
|
195 |
2585 |
|
|
21 |
B1 |
3179 |
2967 |
0.933 |
195 |
2586 |
|
|
22 |
B1 |
3150 |
2930 |
0.930 |
195 |
2587 |
|
|
23 |
B1 |
1544 |
1450 |
0.939 |
195 |
2588 |
|
|
24 |
B1 |
1306 |
1242 |
0.951 |
195 |
2589 |
|
|
25 |
B1 |
1087 |
|
|
195 |
2590 |
|
|
26 |
B1 |
832 |
780 |
0.938 |
195 |
2591 |
|
|
27 |
B1 |
244 |
|
|
195 |
2592 |
|
|
28 |
B1 |
45 |
|
|
195 |
2593 |
|
|
29 |
B2 |
3161 |
2967 |
0.939 |
195 |
2594 |
|
|
30 |
B2 |
3097 |
2874 |
0.928 |
195 |
2595 |
|
|
31 |
B2 |
3076 |
2853 |
0.927 |
195 |
2596 |
|
|
32 |
B2 |
1554 |
1450 |
0.933 |
195 |
2597 |
|
|
33 |
B2 |
1532 |
1427 |
0.931 |
195 |
2598 |
|
|
34 |
B2 |
1470 |
1380 |
0.939 |
195 |
2599 |
|
|
35 |
B2 |
1316 |
1259 |
0.957 |
195 |
2600 |
|
|
36 |
B2 |
1092 |
1017 |
0.932 |
195 |
2601 |
|
|
37 |
B2 |
1034 |
974 |
0.942 |
195 |
2602 |
|
|
38 |
B2 |
668 |
693 |
1.038 |
195 |
2603 |
|
|
39 |
B2 |
337 |
345 |
1.023 |
195 |
2604 |
CH3C(SCH3)HCH3 |
Propane, 2-(methylthio)- |
1 |
A |
3217 |
2971 |
0.923 |
196 |
2605 |
|
|
2 |
A |
3204 |
2971 |
0.927 |
196 |
2606 |
|
|
3 |
A |
3175 |
2971 |
0.936 |
196 |
2607 |
|
|
4 |
A |
3170 |
2971 |
0.937 |
196 |
2608 |
|
|
5 |
A |
3155 |
2971 |
0.942 |
196 |
2609 |
|
|
6 |
A |
3146 |
2971 |
0.944 |
196 |
2610 |
|
|
7 |
A |
3099 |
2918 |
0.942 |
196 |
2611 |
|
|
8 |
A |
3095 |
2899 |
0.937 |
196 |
2612 |
|
|
9 |
A |
3071 |
2867 |
0.933 |
196 |
2613 |
|
|
10 |
A |
3064 |
2867 |
0.936 |
196 |
2614 |
|
|
11 |
A |
1557 |
1448 |
0.930 |
196 |
2615 |
|
|
12 |
A |
1549 |
1448 |
0.935 |
196 |
2616 |
|
|
13 |
A |
1538 |
1448 |
0.941 |
196 |
2617 |
|
|
14 |
A |
1537 |
1448 |
0.942 |
196 |
2618 |
|
|
15 |
A |
1529 |
1448 |
0.947 |
196 |
2619 |
|
|
16 |
A |
1520 |
1448 |
0.953 |
196 |
2620 |
|
|
17 |
A |
1472 |
1386 |
0.942 |
196 |
2621 |
|
|
18 |
A |
1455 |
1364 |
0.938 |
196 |
2622 |
|
|
19 |
A |
1406 |
1339 |
0.953 |
196 |
2623 |
|
|
20 |
A |
1388 |
1315 |
0.948 |
196 |
2624 |
|
|
21 |
A |
1311 |
1244 |
0.949 |
196 |
2625 |
|
|
22 |
A |
1223 |
1154 |
0.943 |
196 |
2626 |
|
|
23 |
A |
1177 |
1110 |
0.943 |
196 |
2627 |
|
|
24 |
A |
1115 |
1058 |
0.949 |
196 |
2628 |
|
|
25 |
A |
1013 |
|
|
196 |
2629 |
|
|
26 |
A |
1001 |
954 |
0.953 |
196 |
2630 |
|
|
27 |
A |
998 |
|
|
196 |
2631 |
|
|
28 |
A |
972 |
924 |
0.950 |
196 |
2632 |
|
|
29 |
A |
918 |
882 |
0.961 |
196 |
2633 |
|
|
30 |
A |
703 |
724 |
1.030 |
196 |
2634 |
|
|
31 |
A |
616 |
632 |
1.026 |
196 |
2635 |
|
|
32 |
A |
428 |
427 |
0.997 |
196 |
2636 |
|
|
33 |
A |
342 |
336 |
0.983 |
196 |
2637 |
|
|
34 |
A |
328 |
|
|
196 |
2638 |
|
|
35 |
A |
252 |
|
|
196 |
2639 |
|
|
36 |
A |
227 |
|
|
196 |
2640 |
|
|
37 |
A |
197 |
215 |
1.093 |
196 |
2641 |
|
|
38 |
A |
141 |
|
|
196 |
2642 |
|
|
39 |
A |
63 |
|
|
196 |
2643 |
C8H8 |
cubane |
1 |
A1g |
3220 |
2995 |
0.930 |
197 |
2644 |
|
|
2 |
A1g |
1037 |
1002 |
0.967 |
197 |
2645 |
|
|
3 |
A2u |
3175 |
2978 |
0.938 |
197 |
2646 |
|
|
4 |
A2u |
1036 |
839 |
0.809 |
197 |
2647 |
|
|
5 |
Eg |
1139 |
1083 |
0.951 |
197 |
2648 |
|
|
6 |
Eg |
951 |
912 |
0.959 |
197 |
2649 |
|
|
7 |
Eu |
1220 |
1151 |
0.944 |
197 |
2650 |
|
|
8 |
Eu |
627 |
617 |
0.984 |
197 |
2651 |
|
|
9 |
T1g |
1195 |
1130 |
0.946 |
197 |
2652 |
|
|
10 |
T1u |
3195 |
2978 |
0.932 |
197 |
2653 |
|
|
11 |
T1u |
1287 |
1230 |
0.956 |
197 |
2654 |
|
|
12 |
T1u |
886 |
853 |
0.963 |
197 |
2655 |
|
|
13 |
T2g |
3185 |
2970 |
0.933 |
197 |
2656 |
|
|
14 |
T2g |
1244 |
1182 |
0.950 |
197 |
2657 |
|
|
15 |
T2g |
855 |
821 |
0.960 |
197 |
2658 |
|
|
16 |
T2g |
692 |
665 |
0.960 |
197 |
2659 |
|
|
17 |
T2u |
1096 |
1036 |
0.946 |
197 |
2660 |
|
|
18 |
T2u |
870 |
829 |
0.953 |
197 |
2661 |
C5H12 |
Pentane |
1 |
A1 |
3152 |
2973 |
0.943 |
198 |
2662 |
|
|
2 |
A1 |
3064 |
2892 |
0.944 |
198 |
2663 |
|
|
3 |
A1 |
3057 |
2866 |
0.938 |
198 |
2664 |
|
|
4 |
A1 |
3039 |
2866 |
0.943 |
198 |
2665 |
|
|
5 |
A1 |
1564 |
1480 |
0.946 |
198 |
2666 |
|
|
6 |
A1 |
1548 |
1463 |
0.945 |
198 |
2667 |
|
|
7 |
A1 |
1539 |
1450 |
0.942 |
198 |
2668 |
|
|
8 |
A1 |
1463 |
1379 |
0.942 |
198 |
2669 |
|
|
9 |
A1 |
1409 |
1346 |
0.955 |
198 |
2670 |
|
|
10 |
A1 |
1198 |
1144 |
0.955 |
198 |
2671 |
|
|
11 |
A1 |
1086 |
1036 |
0.954 |
198 |
2672 |
|
|
12 |
A1 |
901 |
867 |
0.963 |
198 |
2673 |
|
|
13 |
A1 |
408 |
401 |
0.983 |
198 |
2674 |
|
|
14 |
A1 |
181 |
179 |
0.989 |
198 |
2675 |
|
|
15 |
A2 |
3147 |
2967 |
0.943 |
198 |
2676 |
|
|
16 |
A2 |
3090 |
2908 |
0.941 |
198 |
2677 |
|
|
17 |
A2 |
1550 |
1462 |
0.943 |
198 |
2678 |
|
|
18 |
A2 |
1361 |
1346 |
0.989 |
198 |
2679 |
|
|
19 |
A2 |
1304 |
1269 |
0.973 |
198 |
2680 |
|
|
20 |
A2 |
1030 |
993 |
0.964 |
198 |
2681 |
|
|
21 |
A2 |
796 |
766 |
0.963 |
198 |
2682 |
|
|
22 |
A2 |
244 |
210 |
0.859 |
198 |
2683 |
|
|
23 |
A2 |
111 |
131 |
1.175 |
198 |
2684 |
|
|
24 |
B1 |
3149 |
2965 |
0.942 |
198 |
2685 |
|
|
25 |
B1 |
3109 |
2930 |
0.942 |
198 |
2686 |
|
|
26 |
B1 |
3071 |
2930 |
0.954 |
198 |
2687 |
|
|
27 |
B1 |
1550 |
1469 |
0.948 |
198 |
2688 |
|
|
28 |
B1 |
1359 |
1303 |
0.959 |
198 |
2689 |
|
|
29 |
B1 |
1247 |
1170 |
0.938 |
198 |
2690 |
|
|
30 |
B1 |
902 |
858 |
0.951 |
198 |
2691 |
|
|
31 |
B1 |
758 |
727 |
0.960 |
198 |
2692 |
|
|
32 |
B1 |
237 |
215 |
0.908 |
198 |
2693 |
|
|
33 |
B1 |
116 |
88 |
0.760 |
198 |
2694 |
|
|
34 |
B2 |
3152 |
2965 |
0.941 |
198 |
2695 |
|
|
35 |
B2 |
3063 |
2879 |
0.940 |
198 |
2696 |
|
|
36 |
B2 |
3050 |
2866 |
0.940 |
198 |
2697 |
|
|
37 |
B2 |
1555 |
1476 |
0.949 |
198 |
2698 |
|
|
38 |
B2 |
1541 |
1456 |
0.945 |
198 |
2699 |
|
|
39 |
B2 |
1465 |
1389 |
0.948 |
198 |
2700 |
|
|
40 |
B2 |
1425 |
1379 |
0.967 |
198 |
2701 |
|
|
41 |
B2 |
1339 |
1269 |
0.948 |
198 |
2702 |
|
|
42 |
B2 |
1121 |
1073 |
0.957 |
198 |
2703 |
|
|
43 |
B2 |
1073 |
1024 |
0.954 |
198 |
2704 |
|
|
44 |
B2 |
960 |
910 |
0.948 |
198 |
2705 |
|
|
45 |
B2 |
405 |
406 |
1.003 |
198 |
2706 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3063 |
2909 |
0.950 |
199 |
2707 |
|
|
2 |
A1 |
1481 |
1381 |
0.932 |
199 |
2708 |
|
|
3 |
A1 |
749 |
733 |
0.978 |
199 |
2709 |
|
|
4 |
A2 |
250 |
198 |
0.792 |
199 |
2710 |
|
|
5 |
E |
3145 |
2955 |
0.940 |
199 |
2711 |
|
|
6 |
E |
1544 |
1451 |
0.940 |
199 |
2712 |
|
|
7 |
E |
1124 |
999 |
0.889 |
199 |
2713 |
|
|
8 |
E |
342 |
335 |
0.981 |
199 |
2714 |
|
|
9 |
T1 |
3143 |
2975 |
0.947 |
199 |
2715 |
|
|
10 |
T1 |
1535 |
1461 |
0.952 |
199 |
2716 |
|
|
11 |
T1 |
997 |
932 |
0.935 |
199 |
2717 |
|
|
12 |
T1 |
314 |
203 |
0.647 |
199 |
2718 |
|
|
13 |
T2 |
3149 |
2959 |
0.940 |
199 |
2719 |
|
|
14 |
T2 |
3056 |
2876 |
0.941 |
199 |
2720 |
|
|
15 |
T2 |
1569 |
1475 |
0.940 |
199 |
2721 |
|
|
16 |
T2 |
1447 |
1372 |
0.948 |
199 |
2722 |
|
|
17 |
T2 |
1320 |
1256 |
0.951 |
199 |
2723 |
|
|
18 |
T2 |
963 |
925 |
0.960 |
199 |
2724 |
|
|
19 |
T2 |
431 |
418 |
0.971 |
199 |
2725 |
C5H11N |
Piperidine |
1 |
A' |
3609 |
3341 |
0.926 |
200 |
2726 |
|
|
2 |
A' |
3132 |
2947 |
0.941 |
200 |
2727 |
|
|
3 |
A' |
3119 |
2931 |
0.940 |
200 |
2728 |
|
|
4 |
A' |
3110 |
2917 |
0.938 |
200 |
2729 |
|
|
5 |
A' |
3070 |
2892 |
0.942 |
200 |
2730 |
|
|
6 |
A' |
3047 |
2850 |
0.935 |
200 |
2731 |
|
|
7 |
A' |
2929 |
2730 |
0.932 |
200 |
2732 |
|
|
8 |
A' |
1554 |
1476 |
0.950 |
200 |
2733 |
|
|
9 |
A' |
1539 |
1452 |
0.943 |
200 |
2734 |
|
|
10 |
A' |
1535 |
1444 |
0.941 |
200 |
2735 |
|
|
11 |
A' |
1454 |
1386 |
0.953 |
200 |
2736 |
|
|
12 |
A' |
1414 |
1365 |
0.965 |
200 |
2737 |
|
|
13 |
A' |
1346 |
1346 |
1.000 |
200 |
2738 |
|
|
14 |
A' |
1323 |
1266 |
0.957 |
200 |
2739 |
|
|
15 |
A' |
1196 |
1164 |
0.973 |
200 |
2740 |
|
|
16 |
A' |
1094 |
1035 |
0.946 |
200 |
2741 |
|
|
17 |
A' |
1080 |
1006 |
0.932 |
200 |
2742 |
|
|
18 |
A' |
927 |
906 |
0.978 |
200 |
2743 |
|
|
19 |
A' |
893 |
853 |
0.956 |
200 |
2744 |
|
|
20 |
A' |
845 |
822 |
0.973 |
200 |
2745 |
|
|
21 |
A' |
675 |
743 |
1.101 |
200 |
2746 |
|
|
22 |
A' |
537 |
546 |
1.017 |
200 |
2747 |
|
|
23 |
A' |
437 |
432 |
0.988 |
200 |
2748 |
|
|
24 |
A' |
384 |
404 |
1.051 |
200 |
2749 |
|
|
25 |
A' |
239 |
246 |
1.030 |
200 |
2750 |
|
|
26 |
A" |
3125 |
2940 |
0.941 |
200 |
2751 |
|
|
27 |
A" |
3116 |
2902 |
0.931 |
200 |
2752 |
|
|
28 |
A" |
3071 |
2850 |
0.928 |
200 |
2753 |
|
|
29 |
A" |
2922 |
2803 |
0.959 |
200 |
2754 |
|
|
30 |
A" |
1542 |
1468 |
0.952 |
200 |
2755 |
|
|
31 |
A" |
1535 |
1460 |
0.951 |
200 |
2756 |
|
|
32 |
A" |
1523 |
1436 |
0.943 |
200 |
2757 |
|
|
33 |
A" |
1410 |
1332 |
0.945 |
200 |
2758 |
|
|
34 |
A" |
1405 |
1318 |
0.938 |
200 |
2759 |
|
|
35 |
A" |
1387 |
1285 |
0.926 |
200 |
2760 |
|
|
36 |
A" |
1328 |
1258 |
0.948 |
200 |
2761 |
|
|
37 |
A" |
1237 |
1191 |
0.962 |
200 |
2762 |
|
|
38 |
A" |
1208 |
1146 |
0.948 |
200 |
2763 |
|
|
39 |
A" |
1171 |
1115 |
0.952 |
200 |
2764 |
|
|
40 |
A" |
1112 |
1052 |
0.946 |
200 |
2765 |
|
|
41 |
A" |
1010 |
964 |
0.954 |
200 |
2766 |
|
|
42 |
A" |
909 |
874 |
0.961 |
200 |
2767 |
|
|
43 |
A" |
846 |
810 |
0.958 |
200 |
2768 |
|
|
44 |
A" |
460 |
445 |
0.967 |
200 |
2769 |
|
|
45 |
A" |
246 |
254 |
1.032 |
200 |
2770 |
C6H14 |
Hexane |
1 |
Ag |
3151 |
2966 |
0.941 |
201 |
2771 |
|
|
2 |
Ag |
3063 |
2877 |
0.939 |
201 |
2772 |
|
|
3 |
Ag |
3052 |
2863 |
0.938 |
201 |
2773 |
|
|
4 |
Ag |
3036 |
2852 |
0.939 |
201 |
2774 |
|
|
5 |
Ag |
1558 |
1460 |
0.937 |
201 |
2775 |
|
|
6 |
Ag |
1545 |
1460 |
0.945 |
201 |
2776 |
|
|
7 |
Ag |
1537 |
1440 |
0.937 |
201 |
2777 |
|
|
8 |
Ag |
1464 |
1397 |
0.954 |
201 |
2778 |
|
|
9 |
Ag |
1425 |
1366 |
0.959 |
201 |
2779 |
|
|
10 |
Ag |
1383 |
1305 |
0.944 |
201 |
2780 |
|
|
11 |
Ag |
1194 |
1140 |
0.955 |
201 |
2781 |
|
|
12 |
Ag |
1116 |
1065 |
0.954 |
201 |
2782 |
|
|
13 |
Ag |
1051 |
1007 |
0.958 |
201 |
2783 |
|
|
14 |
Ag |
935 |
901 |
0.964 |
201 |
2784 |
|
|
15 |
Ag |
375 |
371 |
0.990 |
201 |
2785 |
|
|
16 |
Ag |
302 |
305 |
1.011 |
201 |
2786 |
|
|
17 |
Au |
3148 |
2967 |
0.943 |
201 |
2787 |
|
|
18 |
Au |
3111 |
2936 |
0.944 |
201 |
2788 |
|
|
19 |
Au |
3079 |
2920 |
0.948 |
201 |
2789 |
|
|
20 |
Au |
1551 |
1460 |
0.942 |
201 |
2790 |
|
|
21 |
Au |
1365 |
1303 |
0.954 |
201 |
2791 |
|
|
22 |
Au |
1290 |
1222 |
0.947 |
201 |
2792 |
|
|
23 |
Au |
1050 |
1010 |
0.962 |
201 |
2793 |
|
|
24 |
Au |
839 |
824 |
0.982 |
201 |
2794 |
|
|
25 |
Au |
756 |
726 |
0.961 |
201 |
2795 |
|
|
26 |
Au |
251 |
216 |
0.861 |
201 |
2796 |
|
|
27 |
Au |
99 |
94 |
0.948 |
201 |
2797 |
|
|
28 |
Au |
71 |
61 |
0.856 |
201 |
2798 |
|
|
29 |
Bg |
3147 |
2966 |
0.943 |
201 |
2799 |
|
|
30 |
Bg |
3097 |
2908 |
0.939 |
201 |
2800 |
|
|
31 |
Bg |
3066 |
2908 |
0.948 |
201 |
2801 |
|
|
32 |
Bg |
1551 |
1460 |
0.941 |
201 |
2802 |
|
|
33 |
Bg |
1359 |
1305 |
0.960 |
201 |
2803 |
|
|
34 |
Bg |
1341 |
1283 |
0.957 |
201 |
2804 |
|
|
35 |
Bg |
1246 |
1168 |
0.937 |
201 |
2805 |
|
|
36 |
Bg |
942 |
894 |
0.949 |
201 |
2806 |
|
|
37 |
Bg |
774 |
740 |
0.957 |
201 |
2807 |
|
|
38 |
Bg |
240 |
208 |
0.866 |
201 |
2808 |
|
|
39 |
Bg |
146 |
125 |
0.857 |
201 |
2809 |
|
|
40 |
Bu |
3151 |
2967 |
0.942 |
201 |
2810 |
|
|
41 |
Bu |
3062 |
2884 |
0.942 |
201 |
2811 |
|
|
42 |
Bu |
3055 |
2867 |
0.938 |
201 |
2812 |
|
|
43 |
Bu |
3040 |
2851 |
0.938 |
201 |
2813 |
|
|
44 |
Bu |
1564 |
1476 |
0.944 |
201 |
2814 |
|
|
45 |
Bu |
1550 |
1465 |
0.945 |
201 |
2815 |
|
|
46 |
Bu |
1538 |
1452 |
0.944 |
201 |
2816 |
|
|
47 |
Bu |
1462 |
1387 |
0.949 |
201 |
2817 |
|
|
48 |
Bu |
1422 |
1375 |
0.967 |
201 |
2818 |
|
|
49 |
Bu |
1319 |
1249 |
0.947 |
201 |
2819 |
|
|
50 |
Bu |
1119 |
1061 |
0.948 |
201 |
2820 |
|
|
51 |
Bu |
1091 |
1035 |
0.949 |
201 |
2821 |
|
|
52 |
Bu |
919 |
888 |
0.966 |
201 |
2822 |
|
|
53 |
Bu |
476 |
470 |
0.987 |
201 |
2823 |
|
|
54 |
Bu |
134 |
139 |
1.035 |
201 |
2824 |