H2 |
Hydrogen diatomic |
1 |
Σg |
4447 |
4161 |
0.936 |
1 |
1 |
LiH |
Lithium Hydride |
1 |
Σ |
1365 |
1360 |
0.996 |
2 |
2 |
Li2 |
Lithium diatomic |
1 |
Σg |
336 |
346 |
1.032 |
3 |
3 |
NaH |
sodium hydride |
1 |
Σ |
1159 |
1133 |
0.978 |
4 |
4 |
Na2 |
Sodium diatomic |
1 |
Σg |
158 |
158 |
0.999 |
5 |
5 |
BeH |
beryllium monohydride |
1 |
Σ |
2023 |
1987 |
0.982 |
6 |
6 |
MgH |
magnesium monohydride |
1 |
Σ |
1428 |
1432 |
1.003 |
7 |
7 |
BH |
Boron monohydride |
1 |
Σ |
2234 |
2269 |
1.016 |
8 |
8 |
AlH |
aluminum monohydride |
1 |
Σ |
1578 |
1625 |
1.030 |
9 |
9 |
CH |
Methylidyne |
1 |
Σ |
2714 |
2733 |
1.007 |
10 |
10 |
|
|
1 |
Σ |
3163 |
|
|
10 |
11 |
C2 |
Carbon diatomic |
1 |
Σg |
1867 |
1827 |
0.979 |
11 |
12 |
SiH |
Silylidyne |
1 |
Σ |
1904 |
1971 |
1.035 |
12 |
13 |
Si2 |
Silicon diatomic |
1 |
Σg |
457 |
507 |
1.109 |
13 |
14 |
NH |
Imidogen |
1 |
Σ |
3137 |
3126 |
0.996 |
14 |
15 |
CN |
Cyano radical |
1 |
Σ |
2097 |
2042 |
0.974 |
15 |
16 |
N2 |
Nitrogen diatomic |
1 |
Σg |
2366 |
2330 |
0.985 |
16 |
17 |
|
|
1 |
Σg |
1766 |
1733 |
0.981 |
16 |
18 |
SiN |
Silicon nitride |
1 |
Σ |
1059 |
1138 |
1.075 |
17 |
19 |
PH |
phosphorus monohydride |
1 |
Σ |
2207 |
2276 |
1.031 |
18 |
20 |
|
|
1 |
Σ |
2214 |
2319 |
1.047 |
18 |
21 |
PN |
Phosphorus mononitride |
1 |
Σ |
1246 |
1323 |
1.062 |
19 |
22 |
P2 |
Phosphorus diatomic |
1 |
Σg |
738 |
775 |
1.050 |
20 |
23 |
OH |
Hydroxyl radical |
1 |
Σ |
3510 |
3570 |
1.017 |
21 |
24 |
LiO |
lithium oxide |
1 |
Σ |
896 |
799 |
0.891 |
22 |
25 |
BeO |
beryllium oxide |
1 |
Σ |
1468 |
1435 |
0.977 |
23 |
26 |
BO |
boron monoxide |
1 |
Σ |
1816 |
1862 |
1.025 |
24 |
27 |
CO |
Carbon monoxide |
1 |
Σ |
2074 |
2143 |
1.033 |
25 |
28 |
|
|
1 |
Σ |
1682 |
|
|
25 |
29 |
NaO |
sodium monoxide |
1 |
Σ |
476 |
|
|
26 |
30 |
MgO |
magnesium oxide |
1 |
Σ |
787 |
775 |
0.984 |
27 |
31 |
SiO |
Silicon monoxide |
1 |
Σ |
1111 |
1230 |
1.107 |
28 |
32 |
HS |
Mercapto radical |
1 |
Σ |
2512 |
2599 |
1.035 |
29 |
33 |
BeS |
beryllium sulfide |
1 |
Σ |
984 |
986 |
1.002 |
30 |
34 |
BS |
boron sulfide |
1 |
Σ |
1131 |
1167 |
1.032 |
31 |
35 |
CS |
carbon monosulfide |
1 |
Σ |
1187 |
1272 |
1.072 |
32 |
36 |
SO |
Sulfur monoxide |
1 |
Σ |
984 |
1138 |
1.156 |
33 |
37 |
|
|
1 |
Σ |
979 |
1054 |
1.077 |
33 |
38 |
MgS |
magnesium sulfide |
1 |
Σ |
502 |
523 |
1.043 |
34 |
39 |
AlS |
Aluminum sulfide |
1 |
Σ |
547 |
610 |
1.116 |
35 |
40 |
SiS |
silicon monosulfide |
1 |
Σ |
673 |
744 |
1.106 |
36 |
41 |
S2 |
Sulfur diatomic |
1 |
Σg |
618 |
720 |
1.165 |
37 |
42 |
HF |
Hydrogen fluoride |
1 |
Σ |
3792 |
3961 |
1.045 |
38 |
43 |
LiF |
lithium fluoride |
1 |
Σ |
958 |
896 |
0.935 |
39 |
44 |
BeF |
Beryllium monofluoride |
1 |
Σ |
1217 |
|
|
40 |
45 |
CF |
Fluoromethylidyne |
1 |
Σ |
1169 |
1286 |
1.100 |
41 |
46 |
NF |
nitrogen fluoride |
1 |
Σ |
1050 |
1123 |
1.070 |
42 |
47 |
F2 |
Fluorine diatomic |
1 |
Σg |
1009 |
894 |
0.886 |
43 |
48 |
NaF |
sodium fluoride |
1 |
Σ |
538 |
529 |
0.982 |
44 |
49 |
MgF |
Magnesium monofluoride |
1 |
Σ |
695 |
|
|
45 |
50 |
AlF |
Aluminum monofluoride |
1 |
Σ |
745 |
793 |
1.065 |
46 |
51 |
SiF |
silicon monofluoride |
1 |
Σ |
773 |
848 |
1.096 |
47 |
52 |
PF |
phosphorus monofluoride |
1 |
Σ |
768 |
838 |
1.091 |
48 |
53 |
SF |
Monosulfur monofluoride |
1 |
Σ |
775 |
829 |
1.070 |
49 |
54 |
HCl |
Hydrogen chloride |
1 |
Σ |
2765 |
2886 |
1.044 |
50 |
55 |
LiCl |
lithium chloride |
1 |
Σ |
591 |
634 |
1.073 |
51 |
56 |
BeCl |
beryllium monochloride |
1 |
Σ |
785 |
847 |
1.078 |
52 |
57 |
BCl |
boron monochloride |
1 |
Σ |
713 |
829 |
1.163 |
53 |
58 |
CCl |
carbon monochloride |
1 |
Σ |
734 |
866 |
1.181 |
54 |
59 |
ClO |
Monochlorine monoxide |
1 |
Σ |
754 |
843 |
1.117 |
55 |
60 |
ClF |
Chlorine monofluoride |
1 |
Σ |
744 |
773 |
1.039 |
56 |
61 |
NaCl |
Sodium Chloride |
1 |
Σ |
339 |
361 |
1.065 |
57 |
62 |
MgCl |
magnesium monochloride |
1 |
Σ |
413 |
|
|
58 |
63 |
AlCl |
Aluminum monochloride |
1 |
Σ |
412 |
478 |
1.158 |
59 |
64 |
SiCl |
Clorosilylidyne |
1 |
Σ |
455 |
531 |
1.169 |
60 |
65 |
PCl |
phosphorus chloride |
1 |
Σ |
463 |
547 |
1.182 |
61 |
66 |
SCl |
sulfur monochloride |
1 |
Σ |
485 |
577 |
1.190 |
62 |
67 |
Cl2 |
Chlorine diatomic |
1 |
Σg |
479 |
554 |
1.156 |
63 |
68 |
BeH2 |
beryllium dihydride |
2 |
Σu |
2250 |
2159 |
0.960 |
64 |
69 |
|
|
3 |
Πu |
737 |
698 |
0.947 |
64 |
70 |
MgH2 |
magnesium dihydride |
2 |
Σu |
1607 |
1572 |
0.978 |
65 |
71 |
|
|
3 |
Πu |
467 |
440 |
0.941 |
65 |
72 |
BH2 |
boron dihydride |
2 |
A1 |
1002 |
954 |
0.952 |
66 |
73 |
AlH2 |
aluminum dihydride |
1 |
A1 |
1755 |
1770 |
1.008 |
67 |
74 |
|
|
2 |
A1 |
728 |
760 |
1.045 |
67 |
75 |
|
|
3 |
B2 |
1809 |
1807 |
0.999 |
67 |
76 |
SiH2 |
silicon dihydride |
1 |
A1 |
1938 |
1996 |
1.030 |
68 |
77 |
|
|
2 |
A1 |
1000 |
999 |
0.999 |
68 |
78 |
|
|
3 |
B2 |
1952 |
1993 |
1.021 |
68 |
79 |
HCN |
Hydrogen cyanide |
1 |
Σ |
3508 |
3312 |
0.944 |
69 |
80 |
|
|
2 |
Σ |
2155 |
2089 |
0.969 |
69 |
81 |
|
|
3 |
Π |
783 |
712 |
0.909 |
69 |
82 |
PH2 |
Phosphino radical |
1 |
A1 |
2227 |
2310 |
1.037 |
70 |
83 |
|
|
2 |
A1 |
1102 |
1102 |
1.000 |
70 |
84 |
HCP |
Phosphaethyne |
1 |
Σ |
3402 |
3217 |
0.946 |
71 |
85 |
|
|
2 |
Σ |
1272 |
1278 |
1.005 |
71 |
86 |
|
|
3 |
Π |
704 |
674 |
0.958 |
71 |
87 |
HPO |
Hydrogen phosphorus oxide |
1 |
A' |
2027 |
2095 |
1.034 |
72 |
88 |
|
|
2 |
A' |
1013 |
1188 |
1.173 |
72 |
89 |
|
|
3 |
A' |
936 |
986 |
1.053 |
72 |
90 |
H2O |
Water |
1 |
A1 |
3660 |
3657 |
0.999 |
73 |
91 |
|
|
2 |
A1 |
1622 |
1595 |
0.983 |
73 |
92 |
|
|
3 |
B2 |
3828 |
3756 |
0.981 |
73 |
93 |
HBO |
Boron hydride oxide |
1 |
Σ |
2944 |
2850 |
0.968 |
74 |
94 |
|
|
2 |
Σ |
1785 |
1826 |
1.023 |
74 |
95 |
|
|
3 |
Π |
764 |
756 |
0.990 |
74 |
96 |
HCO |
Formyl radical |
1 |
A' |
2794 |
2434 |
0.871 |
75 |
97 |
|
|
2 |
A' |
1840 |
1868 |
1.015 |
75 |
98 |
|
|
3 |
A' |
1129 |
1081 |
0.958 |
75 |
99 |
HNO |
Nitrosyl hydride |
1 |
A' |
2838 |
2684 |
0.946 |
76 |
100 |
|
|
2 |
A' |
1579 |
1565 |
0.991 |
76 |
101 |
|
|
3 |
A' |
1539 |
1501 |
0.976 |
76 |
102 |
HO2 |
Hydroperoxy radical |
1 |
A' |
3476 |
3436 |
0.989 |
77 |
103 |
|
|
2 |
A' |
1396 |
1392 |
0.997 |
77 |
104 |
|
|
3 |
A' |
1032 |
1098 |
1.063 |
77 |
105 |
CO2 |
Carbon dioxide |
1 |
Σg |
1293 |
1333 |
1.031 |
78 |
106 |
|
|
2 |
Σu |
2309 |
2349 |
1.017 |
78 |
107 |
|
|
3 |
Πu |
571 |
667 |
1.168 |
78 |
108 |
N2O |
Nitrous oxide |
1 |
Σ |
2227 |
2224 |
0.999 |
79 |
109 |
|
|
2 |
Σ |
1240 |
1285 |
1.037 |
79 |
110 |
|
|
3 |
Π |
466 |
589 |
1.265 |
79 |
111 |
NaOH |
sodium hydroxide |
1 |
Σ |
3838 |
3637 |
0.948 |
80 |
112 |
|
|
2 |
Σ |
605 |
540 |
0.892 |
80 |
113 |
|
|
3 |
Π |
251 |
300 |
1.197 |
80 |
114 |
SiO2 |
silicon dioxide |
2 |
Σu |
1276 |
1416 |
1.110 |
81 |
115 |
|
|
3 |
Πu |
185 |
273 |
1.471 |
81 |
116 |
H2S |
Hydrogen sulfide |
1 |
A1 |
2538 |
2615 |
1.030 |
82 |
117 |
|
|
2 |
A1 |
1192 |
1183 |
0.993 |
82 |
118 |
|
|
3 |
B2 |
2577 |
2626 |
1.019 |
82 |
119 |
HBS |
hydrogen boron sulfide |
1 |
Σ |
2872 |
2736 |
0.953 |
83 |
120 |
|
|
2 |
Σ |
1142 |
1172 |
1.027 |
83 |
121 |
OCS |
Carbonyl sulfide |
1 |
Σ |
2043 |
2062 |
1.009 |
84 |
122 |
|
|
2 |
Σ |
812 |
859 |
1.057 |
84 |
123 |
|
|
3 |
Π |
463 |
520 |
1.124 |
84 |
124 |
SO2 |
Sulfur dioxide |
1 |
A1 |
919 |
1151 |
1.252 |
85 |
125 |
|
|
2 |
A1 |
395 |
518 |
1.311 |
85 |
126 |
|
|
3 |
B2 |
1024 |
1362 |
1.330 |
85 |
127 |
SSO |
Disulfur monoxide |
1 |
A' |
930 |
1166 |
1.254 |
86 |
128 |
|
|
2 |
A' |
548 |
679 |
1.240 |
86 |
129 |
|
|
3 |
A' |
294 |
380 |
1.291 |
86 |
130 |
HCF |
Fluoromethylene |
1 |
A' |
2716 |
2643 |
0.973 |
87 |
131 |
|
|
2 |
A' |
1400 |
1403 |
1.003 |
87 |
132 |
|
|
3 |
A' |
1105 |
1189 |
1.076 |
87 |
133 |
HOF |
Hypofluorous acid |
1 |
A' |
3556 |
3578 |
1.006 |
88 |
134 |
|
|
2 |
A' |
1331 |
1362 |
1.023 |
88 |
135 |
|
|
3 |
A' |
938 |
893 |
0.952 |
88 |
136 |
CF2 |
Difluoromethylene |
1 |
A1 |
1127 |
1225 |
1.087 |
89 |
137 |
|
|
2 |
A1 |
585 |
667 |
1.141 |
89 |
138 |
|
|
3 |
B2 |
1053 |
1114 |
1.059 |
89 |
139 |
FNO |
Nitrosyl fluoride |
1 |
A' |
1797 |
1844 |
1.026 |
90 |
140 |
|
|
2 |
A' |
794 |
766 |
0.965 |
90 |
141 |
|
|
3 |
A' |
534 |
520 |
0.973 |
90 |
142 |
NF2 |
Difluoroamino radical |
1 |
A1 |
1002 |
1075 |
1.073 |
91 |
143 |
|
|
2 |
A1 |
491 |
573 |
1.166 |
91 |
144 |
|
|
3 |
B2 |
887 |
942 |
1.063 |
91 |
145 |
F2O |
Difluorine monoxide |
1 |
A1 |
937 |
928 |
0.990 |
92 |
146 |
|
|
2 |
A1 |
408 |
461 |
1.129 |
92 |
147 |
|
|
3 |
B2 |
855 |
831 |
0.972 |
92 |
148 |
HOCl |
hypochlorous acid |
1 |
A' |
3576 |
3609 |
1.009 |
93 |
149 |
|
|
2 |
A' |
1247 |
1239 |
0.993 |
93 |
150 |
|
|
3 |
A' |
692 |
724 |
1.047 |
93 |
151 |
ClCN |
chlorocyanogen |
1 |
Σ |
2282 |
2216 |
0.971 |
94 |
152 |
|
|
2 |
Σ |
691 |
744 |
1.077 |
94 |
153 |
|
|
3 |
Π |
387 |
378 |
0.976 |
94 |
154 |
ClNO |
Nitrosyl chloride |
1 |
A' |
1804 |
1800 |
0.998 |
95 |
155 |
|
|
2 |
A' |
595 |
596 |
1.001 |
95 |
156 |
|
|
3 |
A' |
348 |
332 |
0.955 |
95 |
157 |
OClO |
Chlorine dioxide |
1 |
A1 |
714 |
946 |
1.325 |
96 |
158 |
|
|
2 |
A1 |
299 |
448 |
1.499 |
96 |
159 |
|
|
3 |
B2 |
746 |
1110 |
1.488 |
96 |
160 |
Cl2O |
Dichlorine monoxide |
1 |
A1 |
617 |
639 |
1.035 |
97 |
161 |
|
|
2 |
A1 |
257 |
296 |
1.150 |
97 |
162 |
|
|
3 |
B2 |
644 |
686 |
1.066 |
97 |
163 |
SiCl2 |
Dichlorosilylene |
1 |
A1 |
451 |
522 |
1.157 |
98 |
164 |
|
|
2 |
A1 |
159 |
201 |
1.260 |
98 |
165 |
|
|
3 |
B2 |
450 |
509 |
1.132 |
98 |
166 |
ClS2 |
Sulfur chloride |
1 |
A' |
549 |
662 |
1.205 |
99 |
167 |
|
|
2 |
A' |
370 |
450 |
1.216 |
99 |
168 |
|
|
3 |
A' |
170 |
196 |
1.155 |
99 |
169 |
BH3 |
boron trihydride |
2 |
A2" |
1142 |
1148 |
1.005 |
100 |
170 |
|
|
3 |
E' |
2713 |
2602 |
0.959 |
100 |
171 |
|
|
4 |
E' |
1202 |
1197 |
0.995 |
100 |
172 |
AlH3 |
aluminum trihydride |
1 |
A1' |
1865 |
1900 |
1.019 |
101 |
173 |
|
|
2 |
A2" |
682 |
698 |
1.023 |
101 |
174 |
|
|
3 |
E' |
1889 |
1883 |
0.997 |
101 |
175 |
|
|
4 |
E' |
738 |
783 |
1.062 |
101 |
176 |
C2H2 |
Acetylene |
1 |
Σg |
3568 |
3374 |
0.946 |
102 |
177 |
|
|
2 |
Σg |
2072 |
1974 |
0.953 |
102 |
178 |
|
|
3 |
Σu |
3458 |
3289 |
0.951 |
102 |
179 |
|
|
4 |
Πg |
675 |
612 |
0.907 |
102 |
180 |
|
|
5 |
Πu |
789 |
730 |
0.925 |
102 |
181 |
SiH3 |
Silyl radical |
1 |
A1 |
2139 |
2136 |
0.998 |
103 |
182 |
|
|
2 |
A1 |
684 |
728 |
1.065 |
103 |
183 |
|
|
3 |
E |
2197 |
2185 |
0.995 |
103 |
184 |
|
|
4 |
E |
897 |
922 |
1.027 |
103 |
185 |
NH3 |
Ammonia |
1 |
A1 |
3613 |
3337 |
0.924 |
104 |
186 |
|
|
2 |
A1 |
395 |
950 |
2.404 |
104 |
187 |
|
|
3 |
E |
3823 |
3444 |
0.901 |
104 |
188 |
|
|
4 |
E |
1676 |
1627 |
0.971 |
104 |
189 |
C2N2 |
Cyanogen |
1 |
Σg |
2431 |
2330 |
0.958 |
105 |
190 |
|
|
2 |
Σg |
898 |
846 |
0.942 |
105 |
191 |
|
|
3 |
Σu |
2220 |
2158 |
0.972 |
105 |
192 |
|
|
4 |
Πg |
578 |
503 |
0.870 |
105 |
193 |
|
|
5 |
Πu |
237 |
234 |
0.986 |
105 |
194 |
PH3 |
Phosphine |
1 |
A1 |
2271 |
2323 |
1.023 |
106 |
195 |
|
|
2 |
A1 |
999 |
992 |
0.993 |
106 |
196 |
|
|
3 |
E |
2310 |
2328 |
1.008 |
106 |
197 |
|
|
4 |
E |
1142 |
1118 |
0.979 |
106 |
198 |
P4 |
Phosphorus tetramer |
1 |
A1 |
522 |
601 |
1.149 |
107 |
199 |
|
|
2 |
E |
313 |
361 |
1.152 |
107 |
200 |
|
|
3 |
T2 |
403 |
467 |
1.159 |
107 |
201 |
H2CO |
Formaldehyde |
1 |
A1 |
2974 |
2782 |
0.935 |
108 |
202 |
|
|
2 |
A1 |
1758 |
1746 |
0.993 |
108 |
203 |
|
|
3 |
A1 |
1563 |
1500 |
0.960 |
108 |
204 |
|
|
4 |
B1 |
1205 |
1167 |
0.969 |
108 |
205 |
|
|
5 |
B2 |
3048 |
2843 |
0.933 |
108 |
206 |
|
|
6 |
B2 |
1275 |
1249 |
0.979 |
108 |
207 |
HNCO |
Isocyanic acid |
1 |
A' |
3859 |
3538 |
0.917 |
109 |
208 |
|
|
2 |
A' |
2359 |
2269 |
0.962 |
109 |
209 |
|
|
3 |
A' |
1310 |
1327 |
1.013 |
109 |
210 |
|
|
4 |
A' |
566 |
777 |
1.372 |
109 |
211 |
|
|
5 |
A' |
509 |
577 |
1.135 |
109 |
212 |
|
|
6 |
A" |
566 |
656 |
1.160 |
109 |
213 |
B2O2 |
Diboron dioxide |
1 |
Σg |
2082 |
2060 |
0.990 |
110 |
214 |
|
|
2 |
Σg |
622 |
585 |
0.940 |
110 |
215 |
|
|
3 |
Σu |
1870 |
1898 |
1.015 |
110 |
216 |
|
|
4 |
Πg |
502 |
410 |
0.816 |
110 |
217 |
|
|
5 |
Πu |
212 |
213 |
1.005 |
110 |
218 |
H2CS |
Thioformaldehyde |
1 |
A1 |
3133 |
2971 |
0.948 |
111 |
219 |
|
|
2 |
A1 |
1532 |
1456 |
0.950 |
111 |
220 |
|
|
3 |
A1 |
1043 |
1059 |
1.016 |
111 |
221 |
|
|
4 |
B1 |
1046 |
990 |
0.947 |
111 |
222 |
|
|
5 |
B2 |
3238 |
3025 |
0.934 |
111 |
223 |
|
|
6 |
B2 |
1040 |
991 |
0.953 |
111 |
224 |
H2S2 |
Disulfane |
1 |
A |
2511 |
2556 |
1.018 |
112 |
225 |
|
|
2 |
A |
837 |
882 |
1.053 |
112 |
226 |
|
|
3 |
A |
444 |
515 |
1.158 |
112 |
227 |
|
|
4 |
A |
355 |
417 |
1.176 |
112 |
228 |
|
|
5 |
B |
2512 |
2559 |
1.019 |
112 |
229 |
|
|
6 |
B |
817 |
878 |
1.074 |
112 |
230 |
SO3 |
Sulfur trioxide |
1 |
A1' |
790 |
1065 |
1.349 |
113 |
231 |
|
|
2 |
A2" |
293 |
498 |
1.702 |
113 |
232 |
|
|
3 |
E' |
1011 |
1391 |
1.376 |
113 |
233 |
|
|
4 |
E' |
352 |
530 |
1.504 |
113 |
234 |
BHF2 |
Difluoroborane |
1 |
A1 |
2791 |
2621 |
0.939 |
114 |
235 |
|
|
2 |
A1 |
1099 |
1164 |
1.060 |
114 |
236 |
|
|
3 |
A1 |
502 |
542 |
1.079 |
114 |
237 |
|
|
4 |
B1 |
916 |
924 |
1.008 |
114 |
238 |
|
|
5 |
B2 |
1392 |
1402 |
1.007 |
114 |
239 |
CF2O |
Carbonic difluoride |
1 |
A1 |
1908 |
1928 |
1.010 |
115 |
240 |
|
|
2 |
A1 |
917 |
965 |
1.052 |
115 |
241 |
|
|
3 |
A1 |
527 |
584 |
1.108 |
115 |
242 |
|
|
4 |
B1 |
705 |
774 |
1.098 |
115 |
243 |
|
|
5 |
B2 |
1213 |
1249 |
1.030 |
115 |
244 |
|
|
6 |
B2 |
586 |
626 |
1.068 |
115 |
245 |
BF3 |
Borane, trifluoro- |
1 |
A1' |
826 |
888 |
1.075 |
116 |
246 |
|
|
2 |
A2" |
630 |
691 |
1.097 |
116 |
247 |
|
|
3 |
E' |
1419 |
1449 |
1.021 |
116 |
248 |
|
|
4 |
E' |
440 |
480 |
1.090 |
116 |
249 |
N2F2 |
Dinitrogen difluoride, (E)- |
1 |
Ag |
1505 |
1523 |
1.012 |
117 |
250 |
|
|
2 |
Ag |
955 |
1018 |
1.066 |
117 |
251 |
|
|
3 |
Ag |
551 |
603 |
1.094 |
117 |
252 |
|
|
4 |
Au |
337 |
364 |
1.080 |
117 |
253 |
|
|
5 |
Bu |
938 |
991 |
1.056 |
117 |
254 |
|
|
6 |
Bu |
377 |
423 |
1.122 |
117 |
255 |
CF3 |
Trifluoromethyl radical |
1 |
A1 |
1005 |
1089 |
1.084 |
118 |
256 |
|
|
2 |
A1 |
640 |
701 |
1.095 |
118 |
257 |
|
|
3 |
E |
1234 |
1260 |
1.022 |
118 |
258 |
|
|
4 |
E |
456 |
509 |
1.115 |
118 |
259 |
NF3 |
Nitrogen trifluoride |
1 |
A1 |
567 |
1032 |
1.820 |
119 |
260 |
|
|
2 |
A1 |
950 |
647 |
0.681 |
119 |
261 |
|
|
3 |
E |
419 |
907 |
2.167 |
119 |
262 |
|
|
4 |
E |
846 |
492 |
0.581 |
119 |
263 |
AlF3 |
Aluminum trifluoride |
1 |
A1' |
649 |
690 |
1.063 |
120 |
264 |
|
|
2 |
A2" |
267 |
297 |
1.114 |
120 |
265 |
|
|
3 |
E' |
930 |
935 |
1.006 |
120 |
266 |
|
|
4 |
E' |
252 |
263 |
1.043 |
120 |
267 |
PF3 |
Phosphorus trifluoride |
1 |
A1 |
792 |
892 |
1.126 |
121 |
268 |
|
|
2 |
A1 |
366 |
487 |
1.332 |
121 |
269 |
|
|
3 |
E |
793 |
860 |
1.084 |
121 |
270 |
|
|
4 |
E |
257 |
344 |
1.336 |
121 |
271 |
BHCl2 |
Borane, dichloro- |
1 |
A1 |
2780 |
2617 |
0.941 |
122 |
272 |
|
|
2 |
A1 |
698 |
740 |
1.059 |
122 |
273 |
|
|
4 |
B1 |
778 |
784 |
1.007 |
122 |
274 |
|
|
5 |
B2 |
1109 |
1089 |
0.982 |
122 |
275 |
|
|
6 |
B2 |
877 |
892 |
1.017 |
122 |
276 |
ClNO2 |
Nitryl chloride |
1 |
A1 |
1285 |
1267 |
0.986 |
123 |
277 |
|
|
2 |
A1 |
776 |
793 |
1.022 |
123 |
278 |
|
|
3 |
A1 |
378 |
364 |
0.963 |
123 |
279 |
|
|
4 |
B1 |
620 |
652 |
1.051 |
123 |
280 |
|
|
5 |
B2 |
1686 |
1684 |
0.999 |
123 |
281 |
|
|
6 |
B2 |
378 |
408 |
1.078 |
123 |
282 |
ClF3 |
Chlorine trifluoride |
1 |
A1 |
645 |
752 |
1.166 |
124 |
283 |
|
|
2 |
A1 |
472 |
529 |
1.120 |
124 |
284 |
|
|
3 |
A1 |
209 |
328 |
1.568 |
124 |
285 |
|
|
4 |
B1 |
242 |
328 |
1.358 |
124 |
286 |
|
|
5 |
B2 |
693 |
702 |
1.013 |
124 |
287 |
|
|
6 |
B2 |
299 |
442 |
1.477 |
124 |
288 |
CCl2O |
Phosgene |
1 |
A1 |
1827 |
1827 |
1.000 |
125 |
289 |
|
|
2 |
A1 |
524 |
567 |
1.083 |
125 |
290 |
|
|
3 |
A1 |
287 |
285 |
0.992 |
125 |
291 |
|
|
4 |
B1 |
554 |
580 |
1.046 |
125 |
292 |
|
|
5 |
B2 |
781 |
849 |
1.087 |
125 |
293 |
|
|
6 |
B2 |
423 |
440 |
1.039 |
125 |
294 |
AlF2Cl |
Aluminum chloride difluoride |
1 |
A1 |
786 |
820 |
1.043 |
126 |
295 |
|
|
2 |
A1 |
460 |
500 |
1.086 |
126 |
296 |
|
|
3 |
A1 |
229 |
250 |
1.092 |
126 |
297 |
|
|
4 |
B1 |
235 |
260 |
1.107 |
126 |
298 |
|
|
5 |
B2 |
915 |
900 |
0.983 |
126 |
299 |
|
|
6 |
B2 |
177 |
200 |
1.129 |
126 |
300 |
BCl3 |
Borane, trichloro- |
1 |
A1' |
452 |
471 |
1.042 |
127 |
301 |
|
|
2 |
A2" |
448 |
460 |
1.027 |
127 |
302 |
|
|
3 |
E' |
930 |
956 |
1.028 |
127 |
303 |
|
|
4 |
E' |
261 |
243 |
0.932 |
127 |
304 |
AlFCl2 |
Aluminum dichloride fluoride |
1 |
A1 |
846 |
850 |
1.005 |
128 |
305 |
|
|
2 |
A1 |
387 |
450 |
1.162 |
128 |
306 |
|
|
3 |
A1 |
138 |
150 |
1.087 |
128 |
307 |
|
|
4 |
B1 |
206 |
220 |
1.070 |
128 |
308 |
|
|
5 |
B2 |
584 |
610 |
1.045 |
128 |
309 |
|
|
6 |
B2 |
191 |
200 |
1.049 |
128 |
310 |
AlCl3 |
Aluminum trichloride |
1 |
A1' |
338 |
375 |
1.108 |
129 |
311 |
|
|
2 |
A2" |
177 |
183 |
1.034 |
129 |
312 |
|
|
3 |
E' |
571 |
595 |
1.043 |
129 |
313 |
|
|
4 |
E' |
130 |
150 |
1.151 |
129 |
314 |
PCl3 |
Phosphorus trichloride |
1 |
A1 |
437 |
504 |
1.154 |
130 |
315 |
|
|
2 |
A1 |
204 |
252 |
1.238 |
130 |
316 |
|
|
3 |
E |
433 |
482 |
1.114 |
130 |
317 |
|
|
4 |
E |
147 |
198 |
1.342 |
130 |
318 |
CH4 |
Methane |
1 |
A1 |
3052 |
2917 |
0.956 |
131 |
319 |
|
|
2 |
E |
1602 |
1534 |
0.958 |
131 |
320 |
|
|
3 |
T2 |
3188 |
3019 |
0.947 |
131 |
321 |
|
|
4 |
T2 |
1400 |
1306 |
0.933 |
131 |
322 |
SiH4 |
Silane |
1 |
A1 |
2169 |
2187 |
1.008 |
132 |
323 |
|
|
2 |
E |
956 |
975 |
1.020 |
132 |
324 |
|
|
3 |
T2 |
2199 |
2191 |
0.996 |
132 |
325 |
|
|
4 |
T2 |
861 |
914 |
1.062 |
132 |
326 |
CH2NH |
Methanimine |
1 |
A' |
3392 |
3263 |
0.962 |
133 |
327 |
|
|
2 |
A' |
3187 |
3024 |
0.949 |
133 |
328 |
|
|
3 |
A' |
3054 |
2914 |
0.954 |
133 |
329 |
|
|
4 |
A' |
1718 |
1638 |
0.954 |
133 |
330 |
|
|
5 |
A' |
1530 |
1452 |
0.949 |
133 |
331 |
|
|
6 |
A' |
1359 |
1344 |
0.989 |
133 |
332 |
|
|
7 |
A' |
1081 |
1058 |
0.979 |
133 |
333 |
|
|
8 |
A" |
1181 |
1127 |
0.954 |
133 |
334 |
|
|
9 |
A" |
1118 |
1061 |
0.949 |
133 |
335 |
CH2CO |
Ketene |
1 |
A1 |
3224 |
3070 |
0.952 |
134 |
336 |
|
|
2 |
A1 |
2182 |
2152 |
0.986 |
134 |
337 |
|
|
3 |
A1 |
1442 |
1388 |
0.962 |
134 |
338 |
|
|
4 |
A1 |
1170 |
1118 |
0.955 |
134 |
339 |
|
|
5 |
B1 |
731 |
588 |
0.804 |
134 |
340 |
|
|
6 |
B1 |
515 |
528 |
1.026 |
134 |
341 |
|
|
7 |
B2 |
3320 |
3166 |
0.954 |
134 |
342 |
|
|
8 |
B2 |
1025 |
977 |
0.953 |
134 |
343 |
|
|
9 |
B2 |
433 |
433 |
1.001 |
134 |
344 |
HCOOH |
Formic acid |
1 |
A' |
3620 |
3570 |
0.986 |
135 |
345 |
|
|
2 |
A' |
3169 |
2943 |
0.929 |
135 |
346 |
|
|
3 |
A' |
1750 |
1770 |
1.012 |
135 |
347 |
|
|
4 |
A' |
1415 |
1387 |
0.980 |
135 |
348 |
|
|
5 |
A' |
1305 |
1229 |
0.942 |
135 |
349 |
|
|
6 |
A' |
1089 |
1105 |
1.015 |
135 |
350 |
|
|
7 |
A' |
608 |
625 |
1.028 |
135 |
351 |
|
|
8 |
A" |
1052 |
1033 |
0.982 |
135 |
352 |
|
|
9 |
A" |
690 |
638 |
0.925 |
135 |
353 |
HNO3 |
Nitric acid |
1 |
A' |
3580 |
3550 |
0.992 |
136 |
354 |
|
|
2 |
A' |
1683 |
1708 |
1.015 |
136 |
355 |
|
|
3 |
A' |
1297 |
1331 |
1.026 |
136 |
356 |
|
|
4 |
A' |
1264 |
1325 |
1.048 |
136 |
357 |
|
|
5 |
A' |
842 |
879 |
1.044 |
136 |
358 |
|
|
6 |
A' |
616 |
647 |
1.050 |
136 |
359 |
|
|
7 |
A' |
548 |
579 |
1.056 |
136 |
360 |
|
|
8 |
A" |
725 |
762 |
1.051 |
136 |
361 |
|
|
9 |
A" |
473 |
456 |
0.963 |
136 |
362 |
C3O2 |
Carbon suboxide |
1 |
Σg |
2206 |
2196 |
0.995 |
137 |
363 |
|
|
2 |
Σg |
775 |
786 |
1.014 |
137 |
364 |
|
|
3 |
Σu |
2429 |
2258 |
0.930 |
137 |
365 |
|
|
4 |
Σu |
1584 |
1573 |
0.993 |
137 |
366 |
|
|
5 |
Πg |
534 |
573 |
1.074 |
137 |
367 |
|
|
6 |
Πu |
575 |
550 |
0.956 |
137 |
368 |
|
|
7 |
Πu |
145 |
61 |
0.421 |
137 |
369 |
CH3F |
Methyl fluoride |
1 |
A1 |
3068 |
2930 |
0.955 |
138 |
370 |
|
|
2 |
A1 |
1516 |
1464 |
0.966 |
138 |
371 |
|
|
3 |
A1 |
1026 |
1049 |
1.023 |
138 |
372 |
|
|
4 |
E |
3169 |
3006 |
0.949 |
138 |
373 |
|
|
5 |
E |
1533 |
1467 |
0.957 |
138 |
374 |
|
|
6 |
E |
1167 |
1182 |
1.013 |
138 |
375 |
CH2F2 |
Methane, difluoro- |
1 |
A1 |
3116 |
2948 |
0.946 |
139 |
376 |
|
|
2 |
A1 |
1558 |
1508 |
0.968 |
139 |
377 |
|
|
3 |
A1 |
1063 |
1111 |
1.045 |
139 |
378 |
|
|
4 |
A1 |
477 |
529 |
1.108 |
139 |
379 |
|
|
5 |
A2 |
1249 |
1262 |
1.010 |
139 |
380 |
|
|
6 |
B1 |
3204 |
3014 |
0.941 |
139 |
381 |
|
|
7 |
B1 |
1146 |
1178 |
1.028 |
139 |
382 |
|
|
8 |
B2 |
1468 |
1435 |
0.978 |
139 |
383 |
|
|
9 |
B2 |
1081 |
1090 |
1.008 |
139 |
384 |
CHF3 |
Methane, trifluoro- |
1 |
A1 |
3218 |
3036 |
0.943 |
140 |
385 |
|
|
2 |
A1 |
1084 |
1117 |
1.031 |
140 |
386 |
|
|
3 |
A1 |
643 |
700 |
1.088 |
140 |
387 |
|
|
4 |
E |
1389 |
1372 |
0.988 |
140 |
388 |
|
|
5 |
E |
1141 |
1152 |
1.009 |
140 |
389 |
|
|
6 |
E |
458 |
507 |
1.107 |
140 |
390 |
CF4 |
Carbon tetrafluoride |
1 |
A1 |
853 |
909 |
1.065 |
141 |
391 |
|
|
2 |
E |
388 |
435 |
1.122 |
141 |
392 |
|
|
3 |
T2 |
1267 |
1283 |
1.013 |
141 |
393 |
|
|
4 |
T2 |
575 |
631 |
1.098 |
141 |
394 |
SiH3F |
monofluorosilane |
1 |
A1 |
2195 |
2206 |
1.005 |
142 |
395 |
|
|
2 |
A1 |
983 |
990 |
1.007 |
142 |
396 |
|
|
3 |
A1 |
792 |
872 |
1.101 |
142 |
397 |
|
|
4 |
E |
2219 |
2196 |
0.990 |
142 |
398 |
|
|
6 |
E |
904 |
956 |
1.057 |
142 |
399 |
|
|
8 |
E |
690 |
728 |
1.055 |
142 |
400 |
SiF4 |
Silicon tetrafluoride |
1 |
A1 |
695 |
800 |
1.152 |
143 |
401 |
|
|
2 |
E |
213 |
268 |
1.256 |
143 |
402 |
|
|
3 |
T2 |
967 |
1032 |
1.068 |
143 |
403 |
|
|
4 |
T2 |
325 |
389 |
1.197 |
143 |
404 |
F3PO |
Phosphoryl fluoride |
1 |
A1 |
1162 |
1417 |
1.219 |
144 |
405 |
|
|
2 |
A1 |
716 |
873 |
1.219 |
144 |
406 |
|
|
3 |
A1 |
359 |
472 |
1.313 |
144 |
407 |
|
|
4 |
E |
867 |
991 |
1.142 |
144 |
408 |
|
|
5 |
E |
341 |
482 |
1.414 |
144 |
409 |
|
|
6 |
E |
236 |
336 |
1.423 |
144 |
410 |
CH3Cl |
Methyl chloride |
1 |
A1 |
3118 |
2966 |
0.951 |
145 |
411 |
|
|
2 |
A1 |
1412 |
1355 |
0.960 |
145 |
412 |
|
|
3 |
A1 |
676 |
732 |
1.084 |
145 |
413 |
|
|
4 |
E |
3246 |
3042 |
0.937 |
145 |
414 |
|
|
5 |
E |
1517 |
1455 |
0.959 |
145 |
415 |
|
|
6 |
E |
1039 |
1015 |
0.977 |
145 |
416 |
SiH3Cl |
chlorosilane |
1 |
A1 |
2200 |
2201 |
1.000 |
146 |
417 |
|
|
2 |
A1 |
898 |
949 |
1.057 |
146 |
418 |
|
|
3 |
A1 |
478 |
551 |
1.152 |
146 |
419 |
|
|
4 |
E |
2236 |
2195 |
0.982 |
146 |
420 |
|
|
5 |
E |
909 |
954 |
1.050 |
146 |
421 |
|
|
6 |
E |
616 |
664 |
1.077 |
146 |
422 |
CH2Cl2 |
Methylene chloride |
1 |
A1 |
3183 |
2999 |
0.942 |
147 |
423 |
|
|
2 |
A1 |
1481 |
1467 |
0.991 |
147 |
424 |
|
|
3 |
A1 |
666 |
717 |
1.076 |
147 |
425 |
|
|
4 |
A1 |
271 |
282 |
1.042 |
147 |
426 |
|
|
5 |
A2 |
1186 |
1153 |
0.972 |
147 |
427 |
|
|
6 |
B1 |
3287 |
3040 |
0.925 |
147 |
428 |
|
|
7 |
B1 |
903 |
898 |
0.995 |
147 |
429 |
|
|
8 |
B2 |
1316 |
1268 |
0.963 |
147 |
430 |
|
|
9 |
B2 |
693 |
758 |
1.093 |
147 |
431 |
CF3Cl |
Methane, chlorotrifluoro- |
1 |
A1 |
1055 |
1105 |
1.048 |
148 |
432 |
|
|
2 |
A1 |
718 |
781 |
1.088 |
148 |
433 |
|
|
3 |
A1 |
436 |
476 |
1.091 |
148 |
434 |
|
|
4 |
E |
1215 |
1212 |
0.998 |
148 |
435 |
|
|
5 |
E |
510 |
563 |
1.104 |
148 |
436 |
|
|
6 |
E |
320 |
350 |
1.094 |
148 |
437 |
SiH2Cl2 |
dichlorosilane |
1 |
A1 |
2226 |
2224 |
0.999 |
149 |
438 |
|
|
2 |
A1 |
892 |
954 |
1.070 |
149 |
439 |
|
|
3 |
A1 |
460 |
527 |
1.145 |
149 |
440 |
|
|
4 |
A1 |
160 |
188 |
1.175 |
149 |
441 |
|
|
5 |
A2 |
664 |
710 |
1.069 |
149 |
442 |
|
|
6 |
B1 |
2265 |
2237 |
0.988 |
149 |
443 |
|
|
7 |
B1 |
539 |
602 |
1.117 |
149 |
444 |
|
|
8 |
B2 |
824 |
876 |
1.063 |
149 |
445 |
|
|
9 |
B2 |
521 |
590 |
1.132 |
149 |
446 |
ClFO3 |
Perchloryl fluoride |
1 |
A1 |
698 |
1061 |
1.520 |
150 |
447 |
|
|
2 |
A1 |
537 |
715 |
1.332 |
150 |
448 |
|
|
3 |
A1 |
299 |
549 |
1.836 |
150 |
449 |
|
|
4 |
E |
806 |
1315 |
1.632 |
150 |
450 |
|
|
5 |
E |
315 |
589 |
1.867 |
150 |
451 |
|
|
6 |
E |
202 |
405 |
2.009 |
150 |
452 |
CHCl3 |
Chloroform |
1 |
A1 |
3254 |
3034 |
0.932 |
151 |
453 |
|
|
2 |
A1 |
633 |
680 |
1.074 |
151 |
454 |
|
|
3 |
A1 |
351 |
366 |
1.041 |
151 |
455 |
|
|
4 |
E |
1249 |
1220 |
0.977 |
151 |
456 |
|
|
5 |
E |
709 |
774 |
1.092 |
151 |
457 |
|
|
6 |
E |
251 |
260 |
1.036 |
151 |
458 |
CF2Cl2 |
difluorodichloromethane |
1 |
A1 |
1077 |
1101 |
1.022 |
152 |
459 |
|
|
2 |
A1 |
606 |
667 |
1.100 |
152 |
460 |
|
|
3 |
A1 |
417 |
458 |
1.099 |
152 |
461 |
|
|
4 |
A1 |
246 |
262 |
1.064 |
152 |
462 |
|
|
5 |
A2 |
300 |
322 |
1.072 |
152 |
463 |
|
|
6 |
B1 |
830 |
902 |
1.087 |
152 |
464 |
|
|
7 |
B1 |
405 |
437 |
1.078 |
152 |
465 |
|
|
8 |
B2 |
1169 |
1159 |
0.992 |
152 |
466 |
|
|
9 |
B2 |
404 |
446 |
1.104 |
152 |
467 |
CFCl3 |
Trichloromonofluoromethane |
1 |
A1 |
1080 |
1085 |
1.004 |
153 |
468 |
|
|
2 |
A1 |
487 |
535 |
1.098 |
153 |
469 |
|
|
3 |
A1 |
333 |
350 |
1.050 |
153 |
470 |
|
|
4 |
E |
773 |
847 |
1.096 |
153 |
471 |
|
|
5 |
E |
374 |
394 |
1.054 |
153 |
472 |
|
|
6 |
E |
233 |
241 |
1.035 |
153 |
473 |
SO2Cl2 |
Sulfuryl chloride |
1 |
A1 |
881 |
1205 |
1.368 |
154 |
474 |
|
|
2 |
A1 |
414 |
577 |
1.395 |
154 |
475 |
|
|
3 |
A1 |
270 |
408 |
1.511 |
154 |
476 |
|
|
4 |
A1 |
129 |
218 |
1.690 |
154 |
477 |
|
|
5 |
A2 |
176 |
282 |
1.606 |
154 |
478 |
|
|
6 |
B1 |
422 |
586 |
1.390 |
154 |
479 |
|
|
7 |
B1 |
247 |
388 |
1.573 |
154 |
480 |
|
|
8 |
B2 |
1030 |
1434 |
1.393 |
154 |
481 |
|
|
9 |
B2 |
231 |
362 |
1.569 |
154 |
482 |
SiHCl3 |
Trichlorosilane |
1 |
A1 |
2265 |
2261 |
0.998 |
155 |
483 |
|
|
2 |
A1 |
431 |
499 |
1.158 |
155 |
484 |
|
|
3 |
A1 |
214 |
254 |
1.186 |
155 |
485 |
|
|
4 |
E |
739 |
811 |
1.098 |
155 |
486 |
|
|
5 |
E |
535 |
600 |
1.122 |
155 |
487 |
|
|
6 |
E |
148 |
176 |
1.187 |
155 |
488 |
CCl4 |
Carbon tetrachloride |
1 |
A1 |
426 |
459 |
1.077 |
156 |
489 |
|
|
2 |
E |
209 |
217 |
1.036 |
156 |
490 |
|
|
3 |
T2 |
718 |
776 |
1.080 |
156 |
491 |
|
|
4 |
T2 |
306 |
314 |
1.027 |
156 |
492 |
Cl3PO |
Phosphoryl chloride |
1 |
A1 |
1066 |
1322 |
1.240 |
157 |
493 |
|
|
2 |
A1 |
380 |
481 |
1.264 |
157 |
494 |
|
|
3 |
A1 |
204 |
266 |
1.307 |
157 |
495 |
|
|
4 |
E |
474 |
590 |
1.244 |
157 |
496 |
|
|
5 |
E |
251 |
333 |
1.325 |
157 |
497 |
|
|
6 |
E |
141 |
187 |
1.331 |
157 |
498 |
SiCl4 |
Silane, tetrachloro- |
1 |
A1 |
360 |
424 |
1.178 |
158 |
499 |
|
|
2 |
E |
123 |
150 |
1.220 |
158 |
500 |
|
|
3 |
T2 |
557 |
621 |
1.115 |
158 |
501 |
|
|
4 |
T2 |
187 |
221 |
1.179 |
158 |
502 |
C2H4 |
Ethylene |
1 |
Ag |
3182 |
3026 |
0.951 |
159 |
503 |
|
|
2 |
Ag |
1717 |
1623 |
0.945 |
159 |
504 |
|
|
3 |
Ag |
1416 |
1342 |
0.948 |
159 |
505 |
|
|
4 |
Au |
1073 |
1023 |
0.953 |
159 |
506 |
|
|
5 |
B1u |
3162 |
2989 |
0.945 |
159 |
507 |
|
|
6 |
B1u |
1514 |
1444 |
0.954 |
159 |
508 |
|
|
7 |
B2g |
1008 |
940 |
0.932 |
159 |
509 |
|
|
8 |
B2u |
3273 |
3105 |
0.949 |
159 |
510 |
|
|
9 |
B2u |
858 |
826 |
0.962 |
159 |
511 |
|
|
10 |
B3g |
3243 |
3086 |
0.952 |
159 |
512 |
|
|
11 |
B3g |
1267 |
1217 |
0.961 |
159 |
513 |
|
|
12 |
B3u |
1001 |
949 |
0.948 |
159 |
514 |
C3H3 |
Propargyl radical |
1 |
A1 |
3507 |
3322 |
0.947 |
160 |
515 |
|
|
6 |
B1 |
736 |
687 |
0.933 |
160 |
516 |
|
|
7 |
B1 |
483 |
490 |
1.014 |
160 |
517 |
N2H4 |
Hydrazine |
1 |
A |
3689 |
3398 |
0.921 |
161 |
518 |
|
|
2 |
A |
3541 |
3329 |
0.940 |
161 |
519 |
|
|
3 |
A |
1742 |
1642 |
0.943 |
161 |
520 |
|
|
4 |
A |
1298 |
1275 |
0.982 |
161 |
521 |
|
|
5 |
A |
1197 |
1076 |
0.899 |
161 |
522 |
|
|
6 |
A |
680 |
780 |
1.147 |
161 |
523 |
|
|
7 |
A |
433 |
377 |
0.870 |
161 |
524 |
|
|
8 |
B |
3692 |
3350 |
0.907 |
161 |
525 |
|
|
9 |
B |
3553 |
3314 |
0.933 |
161 |
526 |
|
|
10 |
B |
1735 |
1628 |
0.938 |
161 |
527 |
|
|
11 |
B |
1287 |
1275 |
0.991 |
161 |
528 |
|
|
12 |
B |
530 |
966 |
1.823 |
161 |
529 |
CH3CN |
Acetonitrile |
1 |
A1 |
3070 |
2954 |
0.962 |
162 |
530 |
|
|
2 |
A1 |
2337 |
2267 |
0.970 |
162 |
531 |
|
|
3 |
A1 |
1467 |
1385 |
0.944 |
162 |
532 |
|
|
4 |
A1 |
954 |
920 |
0.965 |
162 |
533 |
|
|
5 |
E |
3157 |
3009 |
0.953 |
162 |
534 |
|
|
6 |
E |
1516 |
1448 |
0.955 |
162 |
535 |
|
|
7 |
E |
1099 |
1041 |
0.947 |
162 |
536 |
|
|
8 |
E |
379 |
362 |
0.956 |
162 |
537 |
C4N2 |
2-Butynedinitrile |
1 |
Σg |
2412 |
2290 |
0.949 |
163 |
538 |
|
|
2 |
Σg |
2191 |
2119 |
0.967 |
163 |
539 |
|
|
3 |
Σg |
625 |
692 |
1.107 |
163 |
540 |
|
|
4 |
Σu |
2328 |
2241 |
0.963 |
163 |
541 |
|
|
5 |
Σu |
1206 |
1154 |
0.957 |
163 |
542 |
|
|
6 |
Πg |
583 |
504 |
0.865 |
163 |
543 |
|
|
7 |
Πg |
282 |
263 |
0.932 |
163 |
544 |
|
|
8 |
Πu |
498 |
472 |
0.947 |
163 |
545 |
|
|
9 |
Πu |
114 |
107 |
0.935 |
163 |
546 |
CH3OH |
Methyl alcohol |
1 |
A' |
3682 |
3681 |
1.000 |
164 |
547 |
|
|
2 |
A' |
3177 |
3000 |
0.944 |
164 |
548 |
|
|
3 |
A' |
3018 |
2844 |
0.942 |
164 |
549 |
|
|
4 |
A' |
1549 |
1477 |
0.954 |
164 |
550 |
|
|
5 |
A' |
1511 |
1455 |
0.963 |
164 |
551 |
|
|
6 |
A' |
1374 |
1345 |
0.979 |
164 |
552 |
|
|
7 |
A' |
1084 |
1060 |
0.978 |
164 |
553 |
|
|
8 |
A' |
1011 |
1033 |
1.021 |
164 |
554 |
|
|
9 |
A" |
3081 |
2960 |
0.961 |
164 |
555 |
|
|
10 |
A" |
1538 |
1477 |
0.960 |
164 |
556 |
|
|
11 |
A" |
1163 |
1165 |
1.001 |
164 |
557 |
|
|
12 |
A" |
346 |
200 |
0.578 |
164 |
558 |
C2H2O2 |
Ethanedial |
1 |
Ag |
3044 |
2843 |
0.934 |
165 |
559 |
|
|
2 |
Ag |
1736 |
1745 |
1.005 |
165 |
560 |
|
|
3 |
Ag |
1387 |
1338 |
0.965 |
165 |
561 |
|
|
4 |
Ag |
1091 |
1065 |
0.976 |
165 |
562 |
|
|
5 |
Ag |
572 |
551 |
0.963 |
165 |
563 |
|
|
6 |
Au |
837 |
801 |
0.957 |
165 |
564 |
|
|
7 |
Au |
164 |
127 |
0.774 |
165 |
565 |
|
|
8 |
Bg |
1075 |
1048 |
0.974 |
165 |
566 |
|
|
9 |
Bu |
3045 |
2835 |
0.931 |
165 |
567 |
|
|
10 |
Bu |
1722 |
1732 |
1.006 |
165 |
568 |
|
|
11 |
Bu |
1363 |
1312 |
0.962 |
165 |
569 |
|
|
12 |
Bu |
340 |
339 |
0.998 |
165 |
570 |
CH3SH |
Methanethiol |
1 |
A' |
3217 |
3000 |
0.932 |
166 |
571 |
|
|
2 |
A' |
3099 |
2931 |
0.946 |
166 |
572 |
|
|
3 |
A' |
2535 |
2597 |
1.025 |
166 |
573 |
|
|
4 |
A' |
1524 |
1475 |
0.968 |
166 |
574 |
|
|
5 |
A' |
1404 |
1335 |
0.951 |
166 |
575 |
|
|
6 |
A' |
1101 |
1074 |
0.976 |
166 |
576 |
|
|
7 |
A' |
792 |
803 |
1.014 |
166 |
577 |
|
|
8 |
A' |
676 |
708 |
1.047 |
166 |
578 |
|
|
9 |
A" |
3210 |
3000 |
0.935 |
166 |
579 |
|
|
10 |
A" |
1519 |
1430 |
0.941 |
166 |
580 |
|
|
11 |
A" |
1001 |
976 |
0.975 |
166 |
581 |
CH2CHF |
Ethene, fluoro- |
1 |
A' |
3313 |
3115 |
0.940 |
167 |
582 |
|
|
2 |
A' |
3262 |
3080 |
0.944 |
167 |
583 |
|
|
3 |
A' |
3211 |
3052 |
0.951 |
167 |
584 |
|
|
4 |
A' |
1738 |
1654 |
0.952 |
167 |
585 |
|
|
5 |
A' |
1453 |
1380 |
0.950 |
167 |
586 |
|
|
6 |
A' |
1355 |
1306 |
0.964 |
167 |
587 |
|
|
7 |
A' |
1162 |
1156 |
0.995 |
167 |
588 |
|
|
8 |
A' |
933 |
929 |
0.996 |
167 |
589 |
|
|
9 |
A' |
476 |
483 |
1.015 |
167 |
590 |
|
|
10 |
A" |
989 |
940 |
0.950 |
167 |
591 |
|
|
11 |
A" |
943 |
863 |
0.915 |
167 |
592 |
|
|
12 |
A" |
724 |
711 |
0.982 |
167 |
593 |
CH2CF2 |
Ethene, 1,1-difluoro- |
1 |
A1 |
3245 |
3070 |
0.946 |
168 |
594 |
|
|
2 |
A1 |
1806 |
1728 |
0.957 |
168 |
595 |
|
|
3 |
A1 |
1456 |
1360 |
0.934 |
168 |
596 |
|
|
4 |
A1 |
904 |
926 |
1.024 |
168 |
597 |
|
|
5 |
A1 |
507 |
550 |
1.084 |
168 |
598 |
|
|
6 |
A2 |
726 |
714 |
0.984 |
168 |
599 |
|
|
7 |
B1 |
908 |
803 |
0.884 |
168 |
600 |
|
|
8 |
B1 |
590 |
611 |
1.036 |
168 |
601 |
|
|
9 |
B2 |
3350 |
3154 |
0.942 |
168 |
602 |
|
|
10 |
B2 |
1313 |
1302 |
0.992 |
168 |
603 |
|
|
11 |
B2 |
970 |
955 |
0.984 |
168 |
604 |
|
|
12 |
B2 |
430 |
438 |
1.017 |
168 |
605 |
CF3CN |
Acetonitrile, trifluoro- |
1 |
A1 |
2368 |
2275 |
0.961 |
169 |
606 |
|
|
2 |
A1 |
1234 |
1227 |
0.994 |
169 |
607 |
|
|
3 |
A1 |
773 |
802 |
1.038 |
169 |
608 |
|
|
4 |
A1 |
501 |
522 |
1.042 |
169 |
609 |
|
|
5 |
E |
1185 |
1214 |
1.025 |
169 |
610 |
|
|
6 |
E |
613 |
618 |
1.009 |
169 |
611 |
|
|
7 |
E |
428 |
463 |
1.082 |
169 |
612 |
|
|
8 |
E |
178 |
196 |
1.101 |
169 |
613 |
C2F4 |
Tetrafluoroethylene |
1 |
Ag |
1916 |
1872 |
0.977 |
170 |
614 |
|
|
2 |
Ag |
759 |
778 |
1.025 |
170 |
615 |
|
|
3 |
Ag |
373 |
394 |
1.058 |
170 |
616 |
|
|
4 |
Au |
186 |
190 |
1.021 |
170 |
617 |
|
|
5 |
B1u |
1160 |
1186 |
1.023 |
170 |
618 |
|
|
6 |
B1u |
518 |
558 |
1.077 |
170 |
619 |
|
|
7 |
B2g |
510 |
508 |
0.996 |
170 |
620 |
|
|
8 |
B2u |
1318 |
1337 |
1.014 |
170 |
621 |
|
|
9 |
B2u |
202 |
218 |
1.077 |
170 |
622 |
|
|
10 |
B3g |
1321 |
1340 |
1.015 |
170 |
623 |
|
|
11 |
B3g |
528 |
551 |
1.044 |
170 |
624 |
|
|
12 |
B3u |
397 |
406 |
1.022 |
170 |
625 |
PF5 |
Phosphorus pentafluoride |
1 |
A1' |
672 |
816 |
1.213 |
171 |
626 |
|
|
2 |
A1' |
630 |
648 |
1.028 |
171 |
627 |
|
|
3 |
A2" |
941 |
947 |
1.006 |
171 |
628 |
|
|
4 |
A2" |
433 |
575 |
1.328 |
171 |
629 |
|
|
5 |
E' |
926 |
1024 |
1.105 |
171 |
630 |
|
|
6 |
E' |
399 |
533 |
1.336 |
171 |
631 |
|
|
7 |
E' |
144 |
174 |
1.207 |
171 |
632 |
|
|
8 |
E" |
371 |
520 |
1.401 |
171 |
633 |
HSO3F |
Fluorosulfonic acid |
1 |
A |
3553 |
3602 |
1.014 |
172 |
634 |
|
|
2 |
A |
1182 |
1486 |
1.257 |
172 |
635 |
|
|
3 |
A |
1019 |
1243 |
1.219 |
172 |
636 |
|
|
4 |
A |
911 |
1150 |
1.262 |
172 |
637 |
|
|
5 |
A |
710 |
896 |
1.262 |
172 |
638 |
|
|
6 |
A |
650 |
823 |
1.266 |
172 |
639 |
|
|
7 |
A |
359 |
562 |
1.565 |
172 |
640 |
|
|
8 |
A |
338 |
551 |
1.630 |
172 |
641 |
|
|
9 |
A |
336 |
518 |
1.540 |
172 |
642 |
|
|
10 |
A |
276 |
409 |
1.483 |
172 |
643 |
|
|
11 |
A |
229 |
390 |
1.702 |
172 |
644 |
|
|
12 |
A |
161 |
266 |
1.650 |
172 |
645 |
C2H3Cl |
Ethene, chloro- |
1 |
A' |
3297 |
3121 |
0.947 |
173 |
646 |
|
|
2 |
A' |
3279 |
3086 |
0.941 |
173 |
647 |
|
|
3 |
A' |
3193 |
3030 |
0.949 |
173 |
648 |
|
|
4 |
A' |
1700 |
1608 |
0.946 |
173 |
649 |
|
|
5 |
A' |
1443 |
1368 |
0.948 |
173 |
650 |
|
|
6 |
A' |
1320 |
1279 |
0.969 |
173 |
651 |
|
|
7 |
A' |
1059 |
1030 |
0.973 |
173 |
652 |
|
|
8 |
A' |
665 |
720 |
1.083 |
173 |
653 |
|
|
9 |
A' |
394 |
395 |
1.002 |
173 |
654 |
|
|
10 |
A" |
991 |
941 |
0.949 |
173 |
655 |
|
|
11 |
A" |
975 |
896 |
0.919 |
173 |
656 |
|
|
12 |
A" |
641 |
620 |
0.967 |
173 |
657 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
1 |
A1 |
3211 |
3035 |
0.945 |
174 |
658 |
|
|
2 |
A1 |
1707 |
1627 |
0.953 |
174 |
659 |
|
|
3 |
A1 |
1443 |
1400 |
0.970 |
174 |
660 |
|
|
4 |
A1 |
567 |
603 |
1.064 |
174 |
661 |
|
|
5 |
A1 |
287 |
299 |
1.041 |
174 |
662 |
|
|
6 |
A2 |
700 |
686 |
0.980 |
174 |
663 |
|
|
7 |
B1 |
961 |
875 |
0.911 |
174 |
664 |
|
|
8 |
B1 |
470 |
460 |
0.978 |
174 |
665 |
|
|
9 |
B2 |
3314 |
3130 |
0.945 |
174 |
666 |
|
|
10 |
B2 |
1113 |
1095 |
0.984 |
174 |
667 |
|
|
11 |
B2 |
741 |
800 |
1.080 |
174 |
668 |
|
|
12 |
B2 |
377 |
372 |
0.987 |
174 |
669 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
1 |
A1 |
3293 |
3077 |
0.934 |
175 |
670 |
|
|
2 |
A1 |
1700 |
1587 |
0.934 |
175 |
671 |
|
|
3 |
A1 |
1236 |
1179 |
0.954 |
175 |
672 |
|
|
4 |
A1 |
669 |
711 |
1.063 |
175 |
673 |
|
|
5 |
A1 |
163 |
173 |
1.061 |
175 |
674 |
|
|
6 |
A2 |
946 |
876 |
0.926 |
175 |
675 |
|
|
7 |
A2 |
418 |
406 |
0.971 |
175 |
676 |
|
|
8 |
B1 |
741 |
697 |
0.940 |
175 |
677 |
|
|
9 |
B2 |
3268 |
3072 |
0.940 |
175 |
678 |
|
|
10 |
B2 |
1331 |
1303 |
0.979 |
175 |
679 |
|
|
11 |
B2 |
820 |
857 |
1.045 |
175 |
680 |
|
|
12 |
B2 |
558 |
571 |
1.024 |
175 |
681 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
1 |
Ag |
3301 |
3073 |
0.931 |
176 |
682 |
|
|
2 |
Ag |
1689 |
1578 |
0.935 |
176 |
683 |
|
|
3 |
Ag |
1315 |
1274 |
0.969 |
176 |
684 |
|
|
4 |
Ag |
810 |
846 |
1.044 |
176 |
685 |
|
|
5 |
Ag |
337 |
350 |
1.039 |
176 |
686 |
|
|
6 |
Au |
956 |
900 |
0.941 |
176 |
687 |
|
|
7 |
Au |
209 |
227 |
1.088 |
176 |
688 |
|
|
8 |
Bg |
831 |
763 |
0.918 |
176 |
689 |
|
|
9 |
Bu |
3295 |
3090 |
0.938 |
176 |
690 |
|
|
10 |
Bu |
1238 |
1200 |
0.969 |
176 |
691 |
|
|
11 |
Bu |
769 |
828 |
1.077 |
176 |
692 |
|
|
12 |
Bu |
229 |
250 |
1.094 |
176 |
693 |
CHClCCl2 |
Trichloroethylene |
1 |
A' |
3298 |
3082 |
0.934 |
177 |
694 |
|
|
2 |
A' |
1704 |
1586 |
0.931 |
177 |
695 |
|
|
3 |
A' |
1290 |
1247 |
0.967 |
177 |
696 |
|
|
4 |
A' |
887 |
931 |
1.049 |
177 |
697 |
|
|
5 |
A' |
795 |
840 |
1.057 |
177 |
698 |
|
|
6 |
A' |
603 |
630 |
1.044 |
177 |
699 |
|
|
7 |
A' |
372 |
384 |
1.032 |
177 |
700 |
|
|
8 |
A' |
267 |
277 |
1.037 |
177 |
701 |
|
|
9 |
A' |
167 |
178 |
1.067 |
177 |
702 |
|
|
10 |
A" |
856 |
780 |
0.911 |
177 |
703 |
|
|
11 |
A" |
479 |
451 |
0.941 |
177 |
704 |
|
|
12 |
A" |
201 |
215 |
1.070 |
177 |
705 |
B2Cl4 |
Diboron tetrachloride |
1 |
A1 |
1154 |
1122 |
0.972 |
178 |
706 |
|
|
2 |
A1 |
391 |
401 |
1.024 |
178 |
707 |
|
|
3 |
A1 |
176 |
176 |
1.002 |
178 |
708 |
|
|
5 |
B2 |
701 |
728 |
1.039 |
178 |
709 |
|
|
6 |
B2 |
293 |
289 |
0.986 |
178 |
710 |
|
|
7 |
E |
879 |
917 |
1.043 |
178 |
711 |
|
|
8 |
E |
492 |
512 |
1.040 |
178 |
712 |
|
|
9 |
E |
103 |
104 |
1.006 |
178 |
713 |
C2Cl4 |
Tetrachloroethylene |
1 |
Ag |
1694 |
1571 |
0.927 |
179 |
714 |
|
|
2 |
Ag |
424 |
447 |
1.054 |
179 |
715 |
|
|
3 |
Ag |
232 |
237 |
1.021 |
179 |
716 |
|
|
4 |
Au |
96 |
110 |
1.151 |
179 |
717 |
|
|
5 |
B1u |
741 |
777 |
1.049 |
179 |
718 |
|
|
6 |
B1u |
305 |
310 |
1.016 |
179 |
719 |
|
|
7 |
B2g |
573 |
512 |
0.894 |
179 |
720 |
|
|
8 |
B2u |
859 |
908 |
1.057 |
179 |
721 |
|
|
9 |
B2u |
174 |
176 |
1.010 |
179 |
722 |
|
|
10 |
B3g |
941 |
1000 |
1.063 |
179 |
723 |
|
|
11 |
B3g |
340 |
347 |
1.019 |
179 |
724 |
|
|
12 |
B3u |
294 |
288 |
0.979 |
179 |
725 |
PCl5 |
Phosphorus pentachloride |
1 |
A1' |
316 |
394 |
1.249 |
180 |
726 |
|
|
2 |
A1' |
246 |
264 |
1.071 |
180 |
727 |
|
|
3 |
A2" |
392 |
465 |
1.185 |
180 |
728 |
|
|
4 |
A2" |
238 |
299 |
1.254 |
180 |
729 |
|
|
5 |
E' |
475 |
592 |
1.247 |
180 |
730 |
|
|
6 |
E' |
208 |
273 |
1.310 |
180 |
731 |
|
|
7 |
E' |
66 |
100 |
1.510 |
180 |
732 |
|
|
8 |
E" |
203 |
282 |
1.392 |
180 |
733 |
CH3CCH |
propyne |
1 |
A1 |
3518 |
3334 |
0.948 |
181 |
734 |
|
|
2 |
A1 |
3048 |
2918 |
0.957 |
181 |
735 |
|
|
3 |
A1 |
2246 |
2124 |
0.946 |
181 |
736 |
|
|
4 |
A1 |
1467 |
1382 |
0.942 |
181 |
737 |
|
|
5 |
A1 |
966 |
931 |
0.964 |
181 |
738 |
|
|
6 |
E |
3126 |
3008 |
0.962 |
181 |
739 |
|
|
7 |
E |
1523 |
1452 |
0.953 |
181 |
740 |
|
|
8 |
E |
1096 |
1053 |
0.961 |
181 |
741 |
|
|
9 |
E |
681 |
633 |
0.930 |
181 |
742 |
|
|
10 |
E |
359 |
328 |
0.912 |
181 |
743 |
CH2CCH2 |
allene |
1 |
A1 |
3166 |
3015 |
0.952 |
182 |
744 |
|
|
2 |
A1 |
1518 |
1443 |
0.951 |
182 |
745 |
|
|
3 |
A1 |
1128 |
1073 |
0.951 |
182 |
746 |
|
|
4 |
B1 |
896 |
865 |
0.966 |
182 |
747 |
|
|
5 |
B2 |
3164 |
3007 |
0.950 |
182 |
748 |
|
|
6 |
B2 |
2091 |
1957 |
0.936 |
182 |
749 |
|
|
7 |
B2 |
1472 |
1398 |
0.950 |
182 |
750 |
|
|
8 |
E |
3244 |
3086 |
0.951 |
182 |
751 |
|
|
9 |
E |
1058 |
999 |
0.944 |
182 |
752 |
|
|
10 |
E |
920 |
841 |
0.914 |
182 |
753 |
|
|
11 |
E |
380 |
355 |
0.935 |
182 |
754 |
C3H4 |
cyclopropene |
1 |
A1 |
3369 |
3158 |
0.937 |
183 |
755 |
|
|
2 |
A1 |
3093 |
2909 |
0.940 |
183 |
756 |
|
|
3 |
A1 |
1734 |
1653 |
0.953 |
183 |
757 |
|
|
4 |
A1 |
1561 |
1483 |
0.950 |
183 |
758 |
|
|
5 |
A1 |
1172 |
1110 |
0.947 |
183 |
759 |
|
|
6 |
A1 |
943 |
905 |
0.960 |
183 |
760 |
|
|
7 |
A2 |
1033 |
996 |
0.964 |
183 |
761 |
|
|
8 |
A2 |
880 |
820 |
0.932 |
183 |
762 |
|
|
9 |
B1 |
3167 |
2995 |
0.946 |
183 |
763 |
|
|
10 |
B1 |
1133 |
1088 |
0.961 |
183 |
764 |
|
|
11 |
B1 |
633 |
569 |
0.899 |
183 |
765 |
|
|
12 |
B2 |
3317 |
3124 |
0.942 |
183 |
766 |
|
|
13 |
B2 |
1124 |
1043 |
0.928 |
183 |
767 |
|
|
14 |
B2 |
1067 |
1011 |
0.947 |
183 |
768 |
|
|
15 |
B2 |
787 |
769 |
0.977 |
183 |
769 |
CH3NH2 |
methyl amine |
1 |
A' |
3594 |
3361 |
0.935 |
184 |
770 |
|
|
2 |
A' |
3083 |
2961 |
0.960 |
184 |
771 |
|
|
3 |
A' |
2951 |
2820 |
0.956 |
184 |
772 |
|
|
4 |
A' |
1717 |
1623 |
0.945 |
184 |
773 |
|
|
5 |
A' |
1541 |
1473 |
0.956 |
184 |
774 |
|
|
6 |
A' |
1504 |
1430 |
0.951 |
184 |
775 |
|
|
7 |
A' |
1171 |
1130 |
0.965 |
184 |
776 |
|
|
8 |
A' |
1117 |
1044 |
0.935 |
184 |
777 |
|
|
9 |
A' |
559 |
780 |
1.395 |
184 |
778 |
|
|
10 |
A" |
3714 |
3427 |
0.923 |
184 |
779 |
|
|
11 |
A" |
3134 |
2985 |
0.952 |
184 |
780 |
|
|
12 |
A" |
1564 |
1485 |
0.950 |
184 |
781 |
|
|
13 |
A" |
1346 |
1335 |
0.992 |
184 |
782 |
|
|
14 |
A" |
984 |
|
|
184 |
783 |
|
|
15 |
A" |
281 |
268 |
0.955 |
184 |
784 |
C3H3N |
acrylonitrile |
1 |
A' |
3297 |
3125 |
0.948 |
185 |
785 |
|
|
2 |
A' |
3211 |
3078 |
0.959 |
185 |
786 |
|
|
3 |
A' |
3196 |
3042 |
0.952 |
185 |
787 |
|
|
4 |
A' |
2310 |
2239 |
0.969 |
185 |
788 |
|
|
5 |
A' |
1700 |
1615 |
0.950 |
185 |
789 |
|
|
6 |
A' |
1485 |
1416 |
0.954 |
185 |
790 |
|
|
7 |
A' |
1354 |
1282 |
0.947 |
185 |
791 |
|
|
8 |
A' |
1141 |
1096 |
0.961 |
185 |
792 |
|
|
9 |
A' |
900 |
869 |
0.966 |
185 |
793 |
|
|
10 |
A' |
583 |
570 |
0.977 |
185 |
794 |
|
|
11 |
A' |
237 |
242 |
1.020 |
185 |
795 |
|
|
12 |
A" |
1032 |
972 |
0.942 |
185 |
796 |
|
|
13 |
A" |
1016 |
954 |
0.939 |
185 |
797 |
|
|
14 |
A" |
732 |
683 |
0.933 |
185 |
798 |
|
|
15 |
A" |
344 |
362 |
1.052 |
185 |
799 |
C3H2N2 |
Malononitrile |
1 |
A1 |
3062 |
2935 |
0.958 |
186 |
800 |
|
|
2 |
A1 |
2347 |
2275 |
0.969 |
186 |
801 |
|
|
3 |
A1 |
1491 |
1395 |
0.936 |
186 |
802 |
|
|
4 |
A1 |
910 |
890 |
0.978 |
186 |
803 |
|
|
5 |
A1 |
588 |
582 |
0.989 |
186 |
804 |
|
|
6 |
A1 |
149 |
167 |
1.124 |
186 |
805 |
|
|
7 |
A2 |
1278 |
1220 |
0.955 |
186 |
806 |
|
|
8 |
A2 |
377 |
367 |
0.974 |
186 |
807 |
|
|
9 |
B1 |
3107 |
2968 |
0.955 |
186 |
808 |
|
|
10 |
B1 |
974 |
933 |
0.957 |
186 |
809 |
|
|
11 |
B1 |
343 |
337 |
0.981 |
186 |
810 |
|
|
12 |
B2 |
2343 |
2275 |
0.971 |
186 |
811 |
|
|
13 |
B2 |
1382 |
1318 |
0.954 |
186 |
812 |
|
|
14 |
B2 |
1015 |
982 |
0.967 |
186 |
813 |
|
|
15 |
B2 |
368 |
366 |
0.994 |
186 |
814 |
CH2N4 |
1H-Tetrazole |
1 |
A' |
3727 |
3447 |
0.925 |
187 |
815 |
|
|
2 |
A' |
3370 |
3102 |
0.921 |
187 |
816 |
|
|
3 |
A' |
1492 |
1441 |
0.966 |
187 |
817 |
|
|
4 |
A' |
1423 |
1384 |
0.973 |
187 |
818 |
|
|
5 |
A' |
1252 |
1259 |
1.006 |
187 |
819 |
|
|
6 |
A' |
1203 |
1159 |
0.964 |
187 |
820 |
|
|
7 |
A' |
1152 |
1084 |
0.941 |
187 |
821 |
|
|
8 |
A' |
1040 |
1015 |
0.976 |
187 |
822 |
|
|
9 |
A' |
1012 |
1002 |
0.990 |
187 |
823 |
|
|
10 |
A' |
952 |
969 |
1.017 |
187 |
824 |
|
|
11 |
A' |
872 |
925 |
1.061 |
187 |
825 |
|
|
12 |
A" |
886 |
906 |
1.023 |
187 |
826 |
|
|
13 |
A" |
741 |
663 |
0.894 |
187 |
827 |
|
|
14 |
A" |
718 |
658 |
0.916 |
187 |
828 |
|
|
15 |
A" |
673 |
578 |
0.859 |
187 |
829 |
CH3CHO |
Acetaldehyde |
1 |
A' |
3186 |
3014 |
0.946 |
188 |
830 |
|
|
2 |
A' |
3051 |
2923 |
0.958 |
188 |
831 |
|
|
3 |
A' |
2967 |
2716 |
0.915 |
188 |
832 |
|
|
4 |
A' |
1755 |
1743 |
0.993 |
188 |
833 |
|
|
5 |
A' |
1501 |
1433 |
0.955 |
188 |
834 |
|
|
6 |
A' |
1449 |
1395 |
0.963 |
188 |
835 |
|
|
7 |
A' |
1431 |
1352 |
0.945 |
188 |
836 |
|
|
8 |
A' |
1159 |
1114 |
0.961 |
188 |
837 |
|
|
9 |
A' |
927 |
867 |
0.935 |
188 |
838 |
|
|
10 |
A' |
513 |
509 |
0.993 |
188 |
839 |
|
|
11 |
A" |
3122 |
2964 |
0.949 |
188 |
840 |
|
|
12 |
A" |
1513 |
1431 |
0.946 |
188 |
841 |
|
|
13 |
A" |
1155 |
1102 |
0.954 |
188 |
842 |
|
|
14 |
A" |
807 |
764 |
0.947 |
188 |
843 |
|
|
15 |
A" |
149 |
150 |
1.004 |
188 |
844 |
C2H4O |
Ethylene oxide |
1 |
A1 |
3158 |
3006 |
0.952 |
189 |
845 |
|
|
2 |
A1 |
1561 |
1467 |
0.940 |
189 |
846 |
|
|
3 |
A1 |
1287 |
1267 |
0.985 |
189 |
847 |
|
|
4 |
A1 |
1146 |
1146 |
1.000 |
189 |
848 |
|
|
5 |
A1 |
854 |
857 |
1.003 |
189 |
849 |
|
|
6 |
A2 |
3242 |
3063 |
0.945 |
189 |
850 |
|
|
7 |
A2 |
1203 |
1050 |
0.873 |
189 |
851 |
|
|
8 |
A2 |
1016 |
1020 |
1.003 |
189 |
852 |
|
|
9 |
B1 |
3260 |
3065 |
0.940 |
189 |
853 |
|
|
10 |
B1 |
1129 |
1146 |
1.015 |
189 |
854 |
|
|
11 |
B1 |
839 |
797 |
0.950 |
189 |
855 |
|
|
12 |
B2 |
3148 |
3006 |
0.955 |
189 |
856 |
|
|
13 |
B2 |
1538 |
1459 |
0.948 |
189 |
857 |
|
|
14 |
B2 |
1160 |
1159 |
0.999 |
189 |
858 |
|
|
15 |
B2 |
786 |
824 |
1.048 |
189 |
859 |
H2SO4 |
Sulfuric acid |
1 |
A |
3565 |
3563 |
1.000 |
190 |
860 |
|
|
2 |
A |
1124 |
1216 |
1.082 |
190 |
861 |
|
|
3 |
A |
890 |
1136 |
1.276 |
190 |
862 |
|
|
4 |
A |
631 |
831 |
1.319 |
190 |
863 |
|
|
5 |
A |
363 |
548 |
1.509 |
190 |
864 |
|
|
6 |
A |
290 |
422 |
1.455 |
190 |
865 |
|
|
7 |
A |
223 |
379 |
1.697 |
190 |
866 |
|
|
8 |
A |
149 |
224 |
1.503 |
190 |
867 |
|
|
9 |
B |
3561 |
3567 |
1.001 |
190 |
868 |
|
|
10 |
B |
1206 |
1452 |
1.204 |
190 |
869 |
|
|
11 |
B |
986 |
1157 |
1.173 |
190 |
870 |
|
|
12 |
B |
694 |
882 |
1.270 |
190 |
871 |
|
|
13 |
B |
344 |
558 |
1.622 |
190 |
872 |
|
|
14 |
B |
324 |
506 |
1.560 |
190 |
873 |
|
|
15 |
B |
185 |
288 |
1.556 |
190 |
874 |
CH3COF |
Acetyl fluoride |
1 |
A' |
3212 |
3043 |
0.947 |
191 |
875 |
|
|
2 |
A' |
3083 |
2955 |
0.958 |
191 |
876 |
|
|
3 |
A' |
1859 |
1870 |
1.006 |
191 |
877 |
|
|
4 |
A' |
1510 |
1440 |
0.953 |
191 |
878 |
|
|
5 |
A' |
1452 |
1378 |
0.949 |
191 |
879 |
|
|
6 |
A' |
1233 |
1188 |
0.964 |
191 |
880 |
|
|
7 |
A' |
1032 |
1000 |
0.969 |
191 |
881 |
|
|
8 |
A' |
830 |
826 |
0.995 |
191 |
882 |
|
|
9 |
A' |
580 |
598 |
1.031 |
191 |
883 |
|
|
10 |
A' |
406 |
420 |
1.035 |
191 |
884 |
|
|
11 |
A" |
3161 |
3004 |
0.950 |
191 |
885 |
|
|
12 |
A" |
1513 |
1437 |
0.950 |
191 |
886 |
|
|
13 |
A" |
1099 |
1054 |
0.959 |
191 |
887 |
|
|
14 |
A" |
558 |
567 |
1.017 |
191 |
888 |
|
|
15 |
A" |
140 |
123 |
0.876 |
191 |
889 |
SF6 |
Sulfur Hexafluoride |
1 |
A1g |
614 |
774 |
1.261 |
192 |
890 |
|
|
2 |
Eg |
585 |
642 |
1.097 |
192 |
891 |
|
|
3 |
T1u |
885 |
948 |
1.071 |
192 |
892 |
|
|
4 |
T1u |
397 |
616 |
1.549 |
192 |
893 |
|
|
5 |
T2g |
333 |
525 |
1.577 |
192 |
894 |
|
|
6 |
T2u |
219 |
347 |
1.587 |
192 |
895 |
CH3COCl |
Acetyl Chloride |
1 |
A' |
3195 |
3027 |
0.948 |
193 |
896 |
|
|
2 |
A' |
3080 |
2948 |
0.957 |
193 |
897 |
|
|
3 |
A' |
1851 |
1818 |
0.982 |
193 |
898 |
|
|
4 |
A' |
1503 |
1415 |
0.941 |
193 |
899 |
|
|
5 |
A' |
1442 |
1368 |
0.949 |
193 |
900 |
|
|
6 |
A' |
1142 |
1108 |
0.970 |
193 |
901 |
|
|
7 |
A' |
984 |
956 |
0.972 |
193 |
902 |
|
|
8 |
A' |
581 |
604 |
1.040 |
193 |
903 |
|
|
9 |
A' |
413 |
445 |
1.078 |
193 |
904 |
|
|
10 |
A' |
336 |
348 |
1.034 |
193 |
905 |
|
|
11 |
A" |
3168 |
2990 |
0.944 |
193 |
906 |
|
|
12 |
A" |
1502 |
1431 |
0.952 |
193 |
907 |
|
|
13 |
A" |
1079 |
1032 |
0.956 |
193 |
908 |
|
|
14 |
A" |
511 |
518 |
1.014 |
193 |
909 |
|
|
15 |
A" |
134 |
166 |
1.238 |
193 |
910 |
C2H6 |
Ethane |
1 |
A1g |
3052 |
2954 |
0.968 |
194 |
911 |
|
|
2 |
A1g |
1462 |
1388 |
0.950 |
194 |
912 |
|
|
3 |
A1g |
1030 |
995 |
0.966 |
194 |
913 |
|
|
4 |
A1u |
304 |
289 |
0.952 |
194 |
914 |
|
|
5 |
A2u |
3050 |
2896 |
0.950 |
194 |
915 |
|
|
6 |
A2u |
1460 |
1379 |
0.945 |
194 |
916 |
|
|
7 |
Eg |
3118 |
2969 |
0.952 |
194 |
917 |
|
|
8 |
Eg |
1547 |
1468 |
0.949 |
194 |
918 |
|
|
9 |
Eg |
1250 |
1190 |
0.952 |
194 |
919 |
|
|
10 |
Eu |
3145 |
2985 |
0.949 |
194 |
920 |
|
|
11 |
Eu |
1549 |
1469 |
0.948 |
194 |
921 |
|
|
12 |
Eu |
857 |
822 |
0.959 |
194 |
922 |
CH3SiH3 |
methyl silane |
1 |
A1 |
3070 |
2898 |
0.944 |
195 |
923 |
|
|
2 |
A1 |
2159 |
2166 |
1.003 |
195 |
924 |
|
|
3 |
A1 |
1361 |
1260 |
0.926 |
195 |
925 |
|
|
4 |
A1 |
900 |
940 |
1.045 |
195 |
926 |
|
|
5 |
A1 |
684 |
700 |
1.024 |
195 |
927 |
|
|
6 |
A2 |
172 |
187 |
1.089 |
195 |
928 |
|
|
7 |
E |
3170 |
2982 |
0.941 |
195 |
929 |
|
|
8 |
E |
2175 |
2169 |
0.997 |
195 |
930 |
|
|
9 |
E |
1511 |
1403 |
0.928 |
195 |
931 |
|
|
10 |
E |
945 |
980 |
1.037 |
195 |
932 |
|
|
11 |
E |
923 |
868 |
0.940 |
195 |
933 |
|
|
12 |
E |
526 |
540 |
1.026 |
195 |
934 |
Si2H6 |
disilane |
1 |
A1g |
2168 |
2152 |
0.993 |
196 |
935 |
|
|
2 |
A1g |
877 |
909 |
1.036 |
196 |
936 |
|
|
3 |
A1g |
430 |
434 |
1.010 |
196 |
937 |
|
|
4 |
A1u |
130 |
131 |
1.010 |
196 |
938 |
|
|
5 |
A2u |
2158 |
2154 |
0.998 |
196 |
939 |
|
|
6 |
A2u |
816 |
844 |
1.034 |
196 |
940 |
|
|
7 |
Eg |
2182 |
2155 |
0.988 |
196 |
941 |
|
|
8 |
Eg |
921 |
929 |
1.009 |
196 |
942 |
|
|
9 |
Eg |
623 |
625 |
1.003 |
196 |
943 |
|
|
10 |
Eu |
2194 |
2179 |
0.993 |
196 |
944 |
|
|
11 |
Eu |
930 |
940 |
1.011 |
196 |
945 |
|
|
12 |
Eu |
393 |
379 |
0.965 |
196 |
946 |
C2H5N |
Aziridine |
1 |
A' |
3480 |
3338 |
0.959 |
197 |
947 |
|
|
2 |
A' |
3256 |
3079 |
0.946 |
197 |
948 |
|
|
3 |
A' |
3156 |
3015 |
0.955 |
197 |
949 |
|
|
4 |
A' |
1558 |
1482 |
0.951 |
197 |
950 |
|
|
5 |
A' |
1303 |
1237 |
0.949 |
197 |
951 |
|
|
6 |
A' |
1231 |
1211 |
0.984 |
197 |
952 |
|
|
7 |
A' |
1134 |
1090 |
0.961 |
197 |
953 |
|
|
8 |
A' |
1004 |
998 |
0.994 |
197 |
954 |
|
|
9 |
A' |
864 |
856 |
0.990 |
197 |
955 |
|
|
10 |
A' |
753 |
773 |
1.026 |
197 |
956 |
|
|
11 |
A" |
3241 |
3079 |
0.950 |
197 |
957 |
|
|
12 |
A" |
3147 |
3015 |
0.958 |
197 |
958 |
|
|
13 |
A" |
1538 |
1463 |
0.951 |
197 |
959 |
|
|
14 |
A" |
1293 |
1268 |
0.980 |
197 |
960 |
|
|
15 |
A" |
1175 |
1131 |
0.963 |
197 |
961 |
|
|
16 |
A" |
1147 |
1095 |
0.954 |
197 |
962 |
|
|
17 |
A" |
935 |
904 |
0.966 |
197 |
963 |
|
|
18 |
A" |
862 |
817 |
0.948 |
197 |
964 |
CH3COOH |
Acetic acid |
1 |
A' |
3642 |
3583 |
0.984 |
198 |
965 |
|
|
2 |
A' |
3212 |
3051 |
0.950 |
198 |
966 |
|
|
3 |
A' |
3083 |
2944 |
0.955 |
198 |
967 |
|
|
4 |
A' |
1775 |
1788 |
1.007 |
198 |
968 |
|
|
5 |
A' |
1511 |
1430 |
0.946 |
198 |
969 |
|
|
6 |
A' |
1451 |
1382 |
0.953 |
198 |
970 |
|
|
7 |
A' |
1374 |
1264 |
0.920 |
198 |
971 |
|
|
8 |
A' |
1188 |
1182 |
0.995 |
198 |
972 |
|
|
9 |
A' |
1020 |
989 |
0.970 |
198 |
973 |
|
|
10 |
A' |
872 |
847 |
0.971 |
198 |
974 |
|
|
11 |
A' |
574 |
657 |
1.146 |
198 |
975 |
|
|
12 |
A' |
423 |
|
|
198 |
976 |
|
|
13 |
A" |
3161 |
2996 |
0.948 |
198 |
977 |
|
|
14 |
A" |
1516 |
1430 |
0.943 |
198 |
978 |
|
|
15 |
A" |
1098 |
1048 |
0.954 |
198 |
979 |
|
|
16 |
A" |
671 |
642 |
0.956 |
198 |
980 |
|
|
17 |
A" |
554 |
534 |
0.965 |
198 |
981 |
|
|
18 |
A" |
81 |
93 |
1.154 |
198 |
982 |
CH3OCHO |
methyl formate |
1 |
A' |
3229 |
3045 |
0.943 |
199 |
983 |
|
|
2 |
A' |
3149 |
2969 |
0.943 |
199 |
984 |
|
|
3 |
A' |
3089 |
2943 |
0.953 |
199 |
985 |
|
|
4 |
A' |
1728 |
1754 |
1.015 |
199 |
986 |
|
|
5 |
A' |
1533 |
1454 |
0.949 |
199 |
987 |
|
|
6 |
A' |
1486 |
1445 |
0.973 |
199 |
988 |
|
|
7 |
A' |
1401 |
1371 |
0.978 |
199 |
989 |
|
|
8 |
A' |
1217 |
1207 |
0.992 |
199 |
990 |
|
|
9 |
A' |
1174 |
1166 |
0.994 |
199 |
991 |
|
|
10 |
A' |
900 |
925 |
1.028 |
199 |
992 |
|
|
11 |
A' |
755 |
767 |
1.016 |
199 |
993 |
|
|
12 |
A' |
280 |
318 |
1.137 |
199 |
994 |
|
|
13 |
A" |
3183 |
3012 |
0.946 |
199 |
995 |
|
|
14 |
A" |
1524 |
1443 |
0.947 |
199 |
996 |
|
|
15 |
A" |
1169 |
1168 |
0.999 |
199 |
997 |
|
|
16 |
A" |
1026 |
1032 |
1.006 |
199 |
998 |
|
|
17 |
A" |
345 |
332 |
0.963 |
199 |
999 |
|
|
18 |
A" |
85 |
130 |
1.536 |
199 |
1000 |
C3H3NO |
Isoxazole |
1 |
A' |
3353 |
3160 |
0.943 |
200 |
1001 |
|
|
2 |
A' |
3328 |
3128 |
0.940 |
200 |
1002 |
|
|
3 |
A' |
3309 |
3086 |
0.932 |
200 |
1003 |
|
|
4 |
A' |
1597 |
1561 |
0.977 |
200 |
1004 |
|
|
5 |
A' |
1464 |
1433 |
0.978 |
200 |
1005 |
|
|
6 |
A' |
1394 |
1371 |
0.984 |
200 |
1006 |
|
|
7 |
A' |
1252 |
1218 |
0.973 |
200 |
1007 |
|
|
8 |
A' |
1159 |
1130 |
0.975 |
200 |
1008 |
|
|
9 |
A' |
1104 |
1096 |
0.993 |
200 |
1009 |
|
|
10 |
A' |
1056 |
1024 |
0.970 |
200 |
1010 |
|
|
11 |
A' |
937 |
920 |
0.981 |
200 |
1011 |
|
|
12 |
A' |
917 |
900 |
0.982 |
200 |
1012 |
|
|
13 |
A' |
774 |
857 |
1.107 |
200 |
1013 |
|
|
14 |
A" |
944 |
890 |
0.942 |
200 |
1014 |
|
|
15 |
A" |
907 |
866 |
0.955 |
200 |
1015 |
|
|
16 |
A" |
808 |
765 |
0.947 |
200 |
1016 |
|
|
17 |
A" |
638 |
631 |
0.988 |
200 |
1017 |
|
|
18 |
A" |
598 |
592 |
0.990 |
200 |
1018 |
C3H3NO |
Oxazole |
1 |
A' |
3381 |
3170 |
0.938 |
201 |
1019 |
|
|
2 |
A' |
3369 |
3144 |
0.933 |
201 |
1020 |
|
|
3 |
A' |
3340 |
3141 |
0.941 |
201 |
1021 |
|
|
4 |
A' |
1565 |
1537 |
0.982 |
201 |
1022 |
|
|
5 |
A' |
1510 |
1504 |
0.996 |
201 |
1023 |
|
|
6 |
A' |
1350 |
1324 |
0.981 |
201 |
1024 |
|
|
7 |
A' |
1270 |
1252 |
0.986 |
201 |
1025 |
|
|
8 |
A' |
1168 |
1139 |
0.975 |
201 |
1026 |
|
|
9 |
A' |
1096 |
1086 |
0.991 |
201 |
1027 |
|
|
10 |
A' |
1045 |
1078 |
1.032 |
201 |
1028 |
|
|
11 |
A' |
1043 |
1046 |
1.003 |
201 |
1029 |
|
|
12 |
A' |
912 |
899 |
0.986 |
201 |
1030 |
|
|
13 |
A' |
906 |
854 |
0.943 |
201 |
1031 |
|
|
14 |
A" |
912 |
907 |
0.994 |
201 |
1032 |
|
|
15 |
A" |
839 |
830 |
0.989 |
201 |
1033 |
|
|
16 |
A" |
790 |
750 |
0.949 |
201 |
1034 |
|
|
17 |
A" |
664 |
647 |
0.975 |
201 |
1035 |
|
|
18 |
A" |
622 |
607 |
0.976 |
201 |
1036 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
1 |
A1 |
3105 |
2974 |
0.958 |
202 |
1037 |
|
|
2 |
A1 |
1482 |
1412 |
0.953 |
202 |
1038 |
|
|
3 |
A1 |
1310 |
1278 |
0.976 |
202 |
1039 |
|
|
4 |
A1 |
806 |
828 |
1.027 |
202 |
1040 |
|
|
5 |
A1 |
565 |
606 |
1.073 |
202 |
1041 |
|
|
6 |
A2 |
253 |
225 |
0.889 |
202 |
1042 |
|
|
7 |
E |
3205 |
3042 |
0.949 |
202 |
1043 |
|
|
8 |
E |
1526 |
1450 |
0.950 |
202 |
1044 |
|
|
9 |
E |
1269 |
1230 |
0.969 |
202 |
1045 |
|
|
10 |
E |
991 |
964 |
0.973 |
202 |
1046 |
|
|
11 |
E |
505 |
540 |
1.070 |
202 |
1047 |
|
|
12 |
E |
347 |
365 |
1.052 |
202 |
1048 |
C2F6 |
hexafluoroethane |
1 |
A1g |
1380 |
1420 |
1.029 |
203 |
1049 |
|
|
2 |
A1g |
761 |
809 |
1.063 |
203 |
1050 |
|
|
3 |
A1g |
339 |
349 |
1.029 |
203 |
1051 |
|
|
4 |
A1u |
58 |
68 |
1.178 |
203 |
1052 |
|
|
5 |
A2u |
1094 |
1117 |
1.021 |
203 |
1053 |
|
|
6 |
A2u |
654 |
714 |
1.092 |
203 |
1054 |
|
|
7 |
Eg |
1223 |
1237 |
1.011 |
203 |
1055 |
|
|
8 |
Eg |
586 |
620 |
1.058 |
203 |
1056 |
|
|
9 |
Eg |
352 |
380 |
1.078 |
203 |
1057 |
|
|
10 |
Eu |
1238 |
1251 |
1.010 |
203 |
1058 |
|
|
11 |
Eu |
479 |
523 |
1.090 |
203 |
1059 |
|
|
12 |
Eu |
206 |
216 |
1.050 |
203 |
1060 |
CH3CH2Cl |
Ethyl chloride |
1 |
A' |
3147 |
2967 |
0.943 |
204 |
1061 |
|
|
2 |
A' |
3131 |
2946 |
0.941 |
204 |
1062 |
|
|
3 |
A' |
3059 |
2881 |
0.942 |
204 |
1063 |
|
|
4 |
A' |
1543 |
1463 |
0.948 |
204 |
1064 |
|
|
5 |
A' |
1529 |
1448 |
0.947 |
204 |
1065 |
|
|
6 |
A' |
1464 |
1385 |
0.946 |
204 |
1066 |
|
|
7 |
A' |
1339 |
1289 |
0.963 |
204 |
1067 |
|
|
8 |
A' |
1117 |
1081 |
0.968 |
204 |
1068 |
|
|
9 |
A' |
1017 |
974 |
0.958 |
204 |
1069 |
|
|
10 |
A' |
617 |
677 |
1.097 |
204 |
1070 |
|
|
11 |
A' |
326 |
336 |
1.030 |
204 |
1071 |
|
|
12 |
A" |
3212 |
3014 |
0.938 |
204 |
1072 |
|
|
13 |
A" |
3166 |
2986 |
0.943 |
204 |
1073 |
|
|
14 |
A" |
1525 |
1448 |
0.949 |
204 |
1074 |
|
|
15 |
A" |
1298 |
1251 |
0.964 |
204 |
1075 |
|
|
16 |
A" |
1090 |
974 |
0.893 |
204 |
1076 |
|
|
17 |
A" |
815 |
786 |
0.964 |
204 |
1077 |
|
|
18 |
A" |
255 |
251 |
0.984 |
204 |
1078 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
1 |
Ag |
3151 |
2957 |
0.938 |
205 |
1079 |
|
|
1 |
A |
3204 |
3005 |
0.938 |
205 |
1080 |
|
|
2 |
A |
3131 |
2957 |
0.944 |
205 |
1081 |
|
|
2 |
Ag |
1530 |
1445 |
0.945 |
205 |
1082 |
|
|
3 |
Ag |
1351 |
1304 |
0.965 |
205 |
1083 |
|
|
3 |
A |
1505 |
1433 |
0.952 |
205 |
1084 |
|
|
4 |
A |
1361 |
1315 |
0.966 |
205 |
1085 |
|
|
4 |
Ag |
1103 |
1052 |
0.953 |
205 |
1086 |
|
|
5 |
Ag |
711 |
754 |
1.060 |
205 |
1087 |
|
|
5 |
A |
1244 |
1207 |
0.971 |
205 |
1088 |
|
|
6 |
A |
1085 |
1027 |
0.947 |
205 |
1089 |
|
|
6 |
Ag |
287 |
300 |
1.047 |
205 |
1090 |
|
|
7 |
Au |
3249 |
3005 |
0.925 |
205 |
1091 |
|
|
7 |
A |
965 |
948 |
0.982 |
205 |
1092 |
|
|
8 |
A |
621 |
669 |
1.077 |
205 |
1093 |
|
|
8 |
Au |
1153 |
1123 |
0.974 |
205 |
1094 |
|
|
9 |
Au |
803 |
773 |
0.963 |
205 |
1095 |
|
|
9 |
A |
260 |
272 |
1.046 |
205 |
1096 |
|
|
10 |
A |
106 |
125 |
1.180 |
205 |
1097 |
|
|
10 |
Au |
112 |
123 |
1.099 |
205 |
1098 |
|
|
11 |
Bg |
3224 |
3005 |
0.932 |
205 |
1099 |
|
|
11 |
B |
3218 |
3005 |
0.934 |
205 |
1100 |
|
|
12 |
B |
3122 |
2957 |
0.947 |
205 |
1101 |
|
|
12 |
Bg |
1320 |
1264 |
0.957 |
205 |
1102 |
|
|
13 |
Bg |
1015 |
989 |
0.974 |
205 |
1103 |
|
|
13 |
B |
1505 |
1436 |
0.954 |
205 |
1104 |
|
|
14 |
B |
1345 |
1292 |
0.961 |
205 |
1105 |
|
|
14 |
Bu |
3159 |
2983 |
0.944 |
205 |
1106 |
|
|
15 |
Bu |
1528 |
1461 |
0.956 |
205 |
1107 |
|
|
15 |
B |
1177 |
1146 |
0.973 |
205 |
1108 |
|
|
16 |
B |
905 |
890 |
0.983 |
205 |
1109 |
|
|
16 |
Bu |
1285 |
1232 |
0.958 |
205 |
1110 |
|
|
17 |
Bu |
671 |
728 |
1.085 |
205 |
1111 |
|
|
17 |
B |
643 |
693 |
1.077 |
205 |
1112 |
|
|
18 |
B |
402 |
410 |
1.020 |
205 |
1113 |
|
|
18 |
Bu |
204 |
222 |
1.086 |
205 |
1114 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
1 |
A1 |
3085 |
2951 |
0.957 |
206 |
1115 |
|
|
2 |
A1 |
1469 |
1386 |
0.944 |
206 |
1116 |
|
|
3 |
A1 |
1115 |
1075 |
0.964 |
206 |
1117 |
|
|
4 |
A1 |
499 |
526 |
1.055 |
206 |
1118 |
|
|
5 |
A1 |
331 |
344 |
1.039 |
206 |
1119 |
|
|
6 |
A2 |
301 |
214 |
0.710 |
206 |
1120 |
|
|
7 |
E |
3187 |
3014 |
0.946 |
206 |
1121 |
|
|
8 |
E |
1516 |
1457 |
0.961 |
206 |
1122 |
|
|
9 |
E |
1137 |
1088 |
0.957 |
206 |
1123 |
|
|
10 |
E |
664 |
724 |
1.091 |
206 |
1124 |
|
|
11 |
E |
343 |
351 |
1.025 |
206 |
1125 |
|
|
12 |
E |
231 |
239 |
1.033 |
206 |
1126 |
C3H6 |
Cyclopropane |
1 |
A1' |
3180 |
3038 |
0.955 |
207 |
1127 |
|
|
2 |
A1' |
1550 |
1479 |
0.954 |
207 |
1128 |
|
|
3 |
A1' |
1241 |
1188 |
0.958 |
207 |
1129 |
|
|
4 |
A1" |
1167 |
1126 |
0.965 |
207 |
1130 |
|
|
5 |
A2' |
1149 |
1070 |
0.931 |
207 |
1131 |
|
|
6 |
A2" |
3275 |
3103 |
0.948 |
207 |
1132 |
|
|
7 |
A2" |
881 |
854 |
0.969 |
207 |
1133 |
|
|
8 |
E' |
3168 |
3025 |
0.955 |
207 |
1134 |
|
|
9 |
E' |
1517 |
1438 |
0.948 |
207 |
1135 |
|
|
10 |
E' |
1102 |
1029 |
0.933 |
207 |
1136 |
|
|
11 |
E' |
904 |
866 |
0.958 |
207 |
1137 |
|
|
12 |
E" |
3251 |
3082 |
0.948 |
207 |
1138 |
|
|
13 |
E" |
1238 |
1188 |
0.960 |
207 |
1139 |
|
|
14 |
E" |
774 |
739 |
0.955 |
207 |
1140 |
CH2CHCH3 |
Propene |
1 |
A' |
3259 |
3090 |
0.948 |
208 |
1141 |
|
|
2 |
A' |
3171 |
3013 |
0.950 |
208 |
1142 |
|
|
3 |
A' |
3159 |
2991 |
0.947 |
208 |
1143 |
|
|
4 |
A' |
3135 |
2954 |
0.942 |
208 |
1144 |
|
|
5 |
A' |
3037 |
2871 |
0.945 |
208 |
1145 |
|
|
6 |
A' |
1739 |
1650 |
0.949 |
208 |
1146 |
|
|
7 |
A' |
1536 |
1470 |
0.957 |
208 |
1147 |
|
|
8 |
A' |
1488 |
1420 |
0.954 |
208 |
1148 |
|
|
9 |
A' |
1457 |
1378 |
0.946 |
208 |
1149 |
|
|
10 |
A' |
1359 |
1297 |
0.954 |
208 |
1150 |
|
|
11 |
A' |
1224 |
1171 |
0.957 |
208 |
1151 |
|
|
12 |
A' |
979 |
963 |
0.983 |
208 |
1152 |
|
|
13 |
A' |
949 |
920 |
0.970 |
208 |
1153 |
|
|
14 |
A' |
434 |
428 |
0.985 |
208 |
1154 |
|
|
15 |
A" |
3101 |
2954 |
0.953 |
208 |
1155 |
|
|
16 |
A" |
1524 |
1443 |
0.947 |
208 |
1156 |
|
|
17 |
A" |
1104 |
1045 |
0.947 |
208 |
1157 |
|
|
18 |
A" |
1045 |
991 |
0.948 |
208 |
1158 |
|
|
19 |
A" |
974 |
912 |
0.936 |
208 |
1159 |
|
|
20 |
A" |
602 |
578 |
0.960 |
208 |
1160 |
|
|
21 |
A" |
200 |
174 |
0.868 |
208 |
1161 |
C3H4N2 |
1H-Pyrazole |
1 |
A' |
3739 |
3523 |
0.942 |
209 |
1162 |
|
|
2 |
A' |
3336 |
3155 |
0.946 |
209 |
1163 |
|
|
3 |
A' |
3318 |
3137 |
0.945 |
209 |
1164 |
|
|
4 |
A' |
3308 |
3126 |
0.945 |
209 |
1165 |
|
|
5 |
A' |
1579 |
1531 |
0.969 |
209 |
1166 |
|
|
6 |
A' |
1490 |
1447 |
0.971 |
209 |
1167 |
|
|
7 |
A' |
1443 |
1395 |
0.967 |
209 |
1168 |
|
|
8 |
A' |
1396 |
1358 |
0.973 |
209 |
1169 |
|
|
9 |
A' |
1293 |
1254 |
0.970 |
209 |
1170 |
|
|
10 |
A' |
1180 |
1159 |
0.982 |
209 |
1171 |
|
|
11 |
A' |
1163 |
1121 |
0.964 |
209 |
1172 |
|
|
12 |
A' |
1086 |
1054 |
0.971 |
209 |
1173 |
|
|
13 |
A' |
1036 |
1009 |
0.974 |
209 |
1174 |
|
|
14 |
A' |
957 |
924 |
0.965 |
209 |
1175 |
|
|
15 |
A' |
941 |
908 |
0.965 |
209 |
1176 |
|
|
16 |
A" |
934 |
879 |
0.941 |
209 |
1177 |
|
|
17 |
A" |
879 |
833 |
0.947 |
209 |
1178 |
|
|
18 |
A" |
784 |
745 |
0.951 |
209 |
1179 |
|
|
19 |
A" |
700 |
674 |
0.963 |
209 |
1180 |
|
|
20 |
A" |
664 |
623 |
0.938 |
209 |
1181 |
|
|
21 |
A" |
636 |
516 |
0.812 |
209 |
1182 |
C3H4N2 |
1H-Imidazole |
1 |
A' |
3708 |
3517 |
0.948 |
210 |
1183 |
|
|
2 |
A' |
3343 |
3143 |
0.940 |
210 |
1184 |
|
|
3 |
A' |
3327 |
3123 |
0.939 |
210 |
1185 |
|
|
4 |
A' |
3317 |
3110 |
0.938 |
210 |
1186 |
|
|
5 |
A' |
1569 |
1448 |
0.923 |
210 |
1187 |
|
|
6 |
A' |
1504 |
1404 |
0.934 |
210 |
1188 |
|
|
7 |
A' |
1442 |
1328 |
0.921 |
210 |
1189 |
|
|
8 |
A' |
1373 |
1265 |
0.921 |
210 |
1190 |
|
|
9 |
A' |
1294 |
1188 |
0.918 |
210 |
1191 |
|
|
10 |
A' |
1178 |
1098 |
0.932 |
210 |
1192 |
|
|
11 |
A' |
1154 |
1062 |
0.920 |
210 |
1193 |
|
|
12 |
A' |
1122 |
1013 |
0.903 |
210 |
1194 |
|
|
13 |
A' |
1082 |
988 |
0.914 |
210 |
1195 |
|
|
14 |
A' |
959 |
923 |
0.962 |
210 |
1196 |
|
|
15 |
A' |
921 |
898 |
0.975 |
210 |
1197 |
|
|
16 |
A" |
903 |
831 |
0.920 |
210 |
1198 |
|
|
17 |
A" |
828 |
758 |
0.915 |
210 |
1199 |
|
|
18 |
A" |
766 |
674 |
0.880 |
210 |
1200 |
|
|
19 |
A" |
687 |
663 |
0.965 |
210 |
1201 |
|
|
20 |
A" |
674 |
621 |
0.922 |
210 |
1202 |
|
|
21 |
A" |
643 |
539 |
0.838 |
210 |
1203 |
C3H3N3 |
1,3,5-Triazine |
1 |
A1' |
3271 |
3042 |
0.930 |
211 |
1204 |
|
|
2 |
A1' |
1163 |
1132 |
0.973 |
211 |
1205 |
|
|
3 |
A1' |
987 |
992 |
1.005 |
211 |
1206 |
|
|
4 |
A2' |
1410 |
1278 |
0.907 |
211 |
1207 |
|
|
5 |
A2' |
1159 |
1068 |
0.921 |
211 |
1208 |
|
|
6 |
A2" |
949 |
925 |
0.974 |
211 |
1209 |
|
|
7 |
A2" |
774 |
737 |
0.952 |
211 |
1210 |
|
|
8 |
E' |
3261 |
3056 |
0.937 |
211 |
1211 |
|
|
9 |
E' |
1559 |
1555 |
0.997 |
211 |
1212 |
|
|
10 |
E' |
1438 |
1410 |
0.980 |
211 |
1213 |
|
|
11 |
E' |
1175 |
1176 |
1.001 |
211 |
1214 |
|
|
12 |
E' |
687 |
657 |
0.957 |
211 |
1215 |
|
|
13 |
E" |
1035 |
830 |
0.802 |
211 |
1216 |
|
|
14 |
E" |
360 |
340 |
0.944 |
211 |
1217 |
CH3OCH3 |
Dimethyl ether |
1 |
A1 |
3178 |
2996 |
0.943 |
212 |
1218 |
|
|
2 |
A1 |
3009 |
2817 |
0.936 |
212 |
1219 |
|
|
3 |
A1 |
1555 |
1464 |
0.942 |
212 |
1220 |
|
|
4 |
A1 |
1511 |
1452 |
0.961 |
212 |
1221 |
|
|
5 |
A1 |
1257 |
1244 |
0.989 |
212 |
1222 |
|
|
6 |
A1 |
898 |
928 |
1.033 |
212 |
1223 |
|
|
7 |
A1 |
398 |
418 |
1.050 |
212 |
1224 |
|
|
8 |
A2 |
3067 |
2952 |
0.963 |
212 |
1225 |
|
|
9 |
A2 |
1521 |
1464 |
0.962 |
212 |
1226 |
|
|
10 |
A2 |
1154 |
1150 |
0.996 |
212 |
1227 |
|
|
11 |
A2 |
216 |
203 |
0.941 |
212 |
1228 |
|
|
12 |
B1 |
3064 |
2925 |
0.955 |
212 |
1229 |
|
|
13 |
B1 |
1529 |
1464 |
0.957 |
212 |
1230 |
|
|
14 |
B1 |
1185 |
1179 |
0.995 |
212 |
1231 |
|
|
15 |
B1 |
232 |
242 |
1.045 |
212 |
1232 |
|
|
16 |
B2 |
3175 |
2996 |
0.944 |
212 |
1233 |
|
|
17 |
B2 |
2998 |
2817 |
0.940 |
212 |
1234 |
|
|
18 |
B2 |
1536 |
1464 |
0.953 |
212 |
1235 |
|
|
19 |
B2 |
1483 |
1452 |
0.979 |
212 |
1236 |
|
|
20 |
B2 |
1176 |
1227 |
1.044 |
212 |
1237 |
|
|
21 |
B2 |
1098 |
1102 |
1.004 |
212 |
1238 |
C4H4O |
Furan |
1 |
A1 |
3359 |
3161 |
0.941 |
213 |
1239 |
|
|
2 |
A1 |
3312 |
3140 |
0.948 |
213 |
1240 |
|
|
3 |
A1 |
1516 |
1491 |
0.983 |
213 |
1241 |
|
|
4 |
A1 |
1427 |
1384 |
0.970 |
213 |
1242 |
|
|
5 |
A1 |
1173 |
1140 |
0.972 |
213 |
1243 |
|
|
6 |
A1 |
1094 |
1066 |
0.975 |
213 |
1244 |
|
|
7 |
A1 |
1011 |
995 |
0.984 |
213 |
1245 |
|
|
8 |
A1 |
886 |
871 |
0.984 |
213 |
1246 |
|
|
9 |
A2 |
924 |
838 |
0.907 |
213 |
1247 |
|
|
10 |
A2 |
759 |
728 |
0.959 |
213 |
1248 |
|
|
11 |
A2 |
620 |
603 |
0.973 |
213 |
1249 |
|
|
12 |
B1 |
881 |
863 |
0.979 |
213 |
1250 |
|
|
13 |
B1 |
774 |
745 |
0.963 |
213 |
1251 |
|
|
14 |
B1 |
618 |
613 |
0.992 |
213 |
1252 |
|
|
15 |
B2 |
3351 |
3154 |
0.941 |
213 |
1253 |
|
|
16 |
B2 |
3299 |
3129 |
0.948 |
213 |
1254 |
|
|
17 |
B2 |
1611 |
1556 |
0.966 |
213 |
1255 |
|
|
18 |
B2 |
1301 |
1267 |
0.974 |
213 |
1256 |
|
|
19 |
B2 |
1198 |
1180 |
0.985 |
213 |
1257 |
|
|
20 |
B2 |
1059 |
1040 |
0.982 |
213 |
1258 |
|
|
21 |
B2 |
900 |
873 |
0.971 |
213 |
1259 |
C3H4O2 |
β–Propiolactone |
1 |
A' |
3141 |
3001 |
0.955 |
214 |
1260 |
|
|
2 |
A' |
3123 |
2935 |
0.940 |
214 |
1261 |
|
|
3 |
A' |
1876 |
1882 |
1.003 |
214 |
1262 |
|
|
4 |
A' |
1552 |
1475 |
0.951 |
214 |
1263 |
|
|
5 |
A' |
1497 |
1427 |
0.953 |
214 |
1264 |
|
|
6 |
A' |
1335 |
1319 |
0.988 |
214 |
1265 |
|
|
7 |
A' |
1270 |
1199 |
0.944 |
214 |
1266 |
|
|
8 |
A' |
1079 |
1093 |
1.013 |
214 |
1267 |
|
|
9 |
A' |
1021 |
1005 |
0.985 |
214 |
1268 |
|
|
10 |
A' |
903 |
924 |
1.024 |
214 |
1269 |
|
|
11 |
A' |
876 |
891 |
1.017 |
214 |
1270 |
|
|
12 |
A' |
737 |
746 |
1.012 |
214 |
1271 |
|
|
13 |
A' |
483 |
513 |
1.063 |
214 |
1272 |
|
|
14 |
A" |
3218 |
3028 |
0.941 |
214 |
1273 |
|
|
15 |
A" |
3186 |
3000 |
0.942 |
214 |
1274 |
|
|
16 |
A" |
1223 |
1184 |
0.968 |
214 |
1275 |
|
|
17 |
A" |
1132 |
1139 |
1.006 |
214 |
1276 |
|
|
18 |
A" |
1085 |
1046 |
0.964 |
214 |
1277 |
|
|
19 |
A" |
826 |
790 |
0.956 |
214 |
1278 |
|
|
20 |
A" |
512 |
490 |
0.957 |
214 |
1279 |
|
|
21 |
A" |
184 |
113 |
0.614 |
214 |
1280 |
CH3CH2SH |
ethanethiol |
1 |
A |
3177 |
2980 |
0.938 |
215 |
1281 |
|
|
1 |
A' |
3144 |
2966 |
0.943 |
215 |
1282 |
|
|
2 |
A' |
3101 |
2872 |
0.926 |
215 |
1283 |
|
|
2 |
A |
3150 |
2967 |
0.942 |
215 |
1284 |
|
|
3 |
A |
3130 |
2930 |
0.936 |
215 |
1285 |
|
|
3 |
A' |
3061 |
2872 |
0.938 |
215 |
1286 |
|
|
4 |
A' |
2531 |
2580 |
1.019 |
215 |
1287 |
|
|
4 |
A |
3105 |
2902 |
0.935 |
215 |
1288 |
|
|
5 |
A |
3051 |
2875 |
0.942 |
215 |
1289 |
|
|
5 |
A' |
1547 |
1453 |
0.939 |
215 |
1290 |
|
|
6 |
A' |
1529 |
1453 |
0.950 |
215 |
1291 |
|
|
6 |
A |
2527 |
2591 |
1.025 |
215 |
1292 |
|
|
7 |
A |
1542 |
1462 |
0.948 |
215 |
1293 |
|
|
7 |
A' |
1464 |
1385 |
0.946 |
215 |
1294 |
|
|
8 |
A' |
1335 |
1309 |
0.981 |
215 |
1295 |
|
|
8 |
A |
1534 |
1452 |
0.947 |
215 |
1296 |
|
|
9 |
A |
1523 |
1437 |
0.944 |
215 |
1297 |
|
|
9 |
A' |
1132 |
1097 |
0.969 |
215 |
1298 |
|
|
10 |
A' |
1029 |
978 |
0.950 |
215 |
1299 |
|
|
10 |
A |
1462 |
1377 |
0.942 |
215 |
1300 |
|
|
11 |
A |
1334 |
1269 |
0.951 |
215 |
1301 |
|
|
11 |
A' |
835 |
870 |
1.042 |
215 |
1302 |
|
|
12 |
A' |
635 |
660 |
1.039 |
215 |
1303 |
|
|
12 |
A |
1304 |
1246 |
0.955 |
215 |
1304 |
|
|
13 |
A |
1137 |
1093 |
0.962 |
215 |
1305 |
|
|
13 |
A' |
301 |
332 |
1.101 |
215 |
1306 |
|
|
14 |
A" |
3176 |
2966 |
0.934 |
215 |
1307 |
|
|
14 |
A |
1094 |
1051 |
0.961 |
215 |
1308 |
|
|
15 |
A |
1021 |
970 |
0.950 |
215 |
1309 |
|
|
15 |
A" |
3147 |
2930 |
0.931 |
215 |
1310 |
|
|
16 |
A" |
1536 |
1453 |
0.946 |
215 |
1311 |
|
|
16 |
A |
871 |
867 |
0.995 |
215 |
1312 |
|
|
17 |
A |
752 |
735 |
0.977 |
215 |
1313 |
|
|
17 |
A" |
1300 |
1269 |
0.977 |
215 |
1314 |
|
|
18 |
A" |
1073 |
1049 |
0.978 |
215 |
1315 |
|
|
18 |
A |
627 |
658 |
1.050 |
215 |
1316 |
|
|
19 |
A |
325 |
319 |
0.982 |
215 |
1317 |
|
|
19 |
A" |
817 |
745 |
0.912 |
215 |
1318 |
|
|
20 |
A |
258 |
|
|
215 |
1319 |
|
|
21 |
A |
197 |
|
|
215 |
1320 |
CH3SCH3 |
Dimethyl sulfide |
1 |
A1 |
3201 |
2997 |
0.936 |
216 |
1321 |
|
|
2 |
A1 |
3078 |
2925 |
0.950 |
216 |
1322 |
|
|
3 |
A1 |
1526 |
1447 |
0.948 |
216 |
1323 |
|
|
4 |
A1 |
1410 |
1337 |
0.948 |
216 |
1324 |
|
|
5 |
A1 |
1079 |
1030 |
0.955 |
216 |
1325 |
|
|
6 |
A1 |
658 |
695 |
1.056 |
216 |
1326 |
|
|
7 |
A1 |
249 |
280 |
1.126 |
216 |
1327 |
|
|
8 |
A2 |
3185 |
2970 |
0.933 |
216 |
1328 |
|
|
9 |
A2 |
1508 |
1427 |
0.946 |
216 |
1329 |
|
|
10 |
A2 |
981 |
946 |
0.964 |
216 |
1330 |
|
|
11 |
A2 |
161 |
175 |
1.090 |
216 |
1331 |
|
|
12 |
B1 |
3180 |
2970 |
0.934 |
216 |
1332 |
|
|
13 |
B1 |
1517 |
1439 |
0.949 |
216 |
1333 |
|
|
14 |
B1 |
1015 |
973 |
0.958 |
216 |
1334 |
|
|
15 |
B1 |
161 |
183 |
1.134 |
216 |
1335 |
|
|
16 |
B2 |
3201 |
2999 |
0.937 |
216 |
1336 |
|
|
17 |
B2 |
3080 |
2919 |
0.948 |
216 |
1337 |
|
|
18 |
B2 |
1517 |
1442 |
0.951 |
216 |
1338 |
|
|
19 |
B2 |
1385 |
1315 |
0.949 |
216 |
1339 |
|
|
20 |
B2 |
949 |
903 |
0.951 |
216 |
1340 |
|
|
21 |
B2 |
709 |
742 |
1.047 |
216 |
1341 |
C4H4S |
Thiophene |
1 |
A1 |
3322 |
3126 |
0.941 |
217 |
1342 |
|
|
2 |
A1 |
3263 |
3098 |
0.949 |
217 |
1343 |
|
|
3 |
A1 |
1508 |
1409 |
0.935 |
217 |
1344 |
|
|
4 |
A1 |
1409 |
1360 |
0.965 |
217 |
1345 |
|
|
5 |
A1 |
1141 |
1083 |
0.949 |
217 |
1346 |
|
|
6 |
A1 |
1065 |
1036 |
0.973 |
217 |
1347 |
|
|
7 |
A1 |
810 |
872 |
1.076 |
217 |
1348 |
|
|
8 |
A1 |
608 |
608 |
1.001 |
217 |
1349 |
|
|
9 |
A2 |
961 |
867 |
0.902 |
217 |
1350 |
|
|
10 |
A2 |
728 |
688 |
0.945 |
217 |
1351 |
|
|
11 |
A2 |
586 |
567 |
0.968 |
217 |
1352 |
|
|
12 |
B1 |
920 |
839 |
0.912 |
217 |
1353 |
|
|
13 |
B1 |
746 |
712 |
0.954 |
217 |
1354 |
|
|
14 |
B1 |
446 |
452 |
1.013 |
217 |
1355 |
|
|
15 |
B2 |
3318 |
3125 |
0.942 |
217 |
1356 |
|
|
16 |
B2 |
3247 |
3086 |
0.950 |
217 |
1357 |
|
|
17 |
B2 |
1601 |
1504 |
0.939 |
217 |
1358 |
|
|
18 |
B2 |
1303 |
1256 |
0.964 |
217 |
1359 |
|
|
19 |
B2 |
1140 |
1085 |
0.952 |
217 |
1360 |
|
|
20 |
B2 |
880 |
903 |
1.026 |
217 |
1361 |
|
|
21 |
B2 |
713 |
751 |
1.054 |
217 |
1362 |
CH2CHCHCH2 |
1,3-Butadiene |
1 |
Ag |
3271 |
3087 |
0.944 |
218 |
1363 |
|
|
2 |
Ag |
3178 |
3003 |
0.945 |
218 |
1364 |
|
|
3 |
Ag |
3160 |
2992 |
0.947 |
218 |
1365 |
|
|
4 |
Ag |
1735 |
1630 |
0.939 |
218 |
1366 |
|
|
5 |
Ag |
1514 |
1438 |
0.950 |
218 |
1367 |
|
|
6 |
Ag |
1347 |
1280 |
0.951 |
218 |
1368 |
|
|
7 |
Ag |
1264 |
1196 |
0.946 |
218 |
1369 |
|
|
8 |
Ag |
919 |
894 |
0.973 |
218 |
1370 |
|
|
9 |
Ag |
529 |
512 |
0.969 |
218 |
1371 |
|
|
10 |
Au |
1073 |
1013 |
0.944 |
218 |
1372 |
|
|
11 |
Au |
970 |
908 |
0.936 |
218 |
1373 |
|
|
12 |
Au |
543 |
522 |
0.961 |
218 |
1374 |
|
|
13 |
Au |
177 |
162 |
0.917 |
218 |
1375 |
|
|
14 |
Bg |
1025 |
976 |
0.952 |
218 |
1376 |
|
|
15 |
Bg |
969 |
912 |
0.941 |
218 |
1377 |
|
|
16 |
Bg |
792 |
770 |
0.972 |
218 |
1378 |
|
|
17 |
Bu |
3271 |
3101 |
0.948 |
218 |
1379 |
|
|
18 |
Bu |
3179 |
3055 |
0.961 |
218 |
1380 |
|
|
19 |
Bu |
3170 |
2984 |
0.941 |
218 |
1381 |
|
|
20 |
Bu |
1679 |
1596 |
0.951 |
218 |
1382 |
|
|
21 |
Bu |
1455 |
1381 |
0.949 |
218 |
1383 |
|
|
22 |
Bu |
1358 |
1294 |
0.953 |
218 |
1384 |
|
|
23 |
Bu |
1033 |
990 |
0.958 |
218 |
1385 |
|
|
24 |
Bu |
303 |
301 |
0.994 |
218 |
1386 |
CH3CCCH3 |
2-Butyne |
1 |
A1' |
3041 |
2916 |
0.959 |
219 |
1387 |
|
|
2 |
A1' |
2389 |
2240 |
0.937 |
219 |
1388 |
|
|
3 |
A1' |
1468 |
1380 |
0.940 |
219 |
1389 |
|
|
4 |
A1' |
740 |
725 |
0.980 |
219 |
1390 |
|
|
6 |
A2" |
3041 |
2938 |
0.966 |
219 |
1391 |
|
|
7 |
A2" |
1463 |
1382 |
0.945 |
219 |
1392 |
|
|
8 |
A2" |
1205 |
1152 |
0.956 |
219 |
1393 |
|
|
9 |
E' |
3116 |
2973 |
0.954 |
219 |
1394 |
|
|
10 |
E' |
1525 |
1456 |
0.954 |
219 |
1395 |
|
|
11 |
E' |
1103 |
1054 |
0.955 |
219 |
1396 |
|
|
12 |
E' |
207 |
213 |
1.029 |
219 |
1397 |
|
|
13 |
E" |
3117 |
2966 |
0.952 |
219 |
1398 |
|
|
14 |
E" |
1525 |
1448 |
0.950 |
219 |
1399 |
|
|
15 |
E" |
1078 |
1029 |
0.954 |
219 |
1400 |
|
|
16 |
E" |
398 |
371 |
0.932 |
219 |
1401 |
CH2CCHCH3 |
1,2-Butadiene |
1 |
A' |
3165 |
3061 |
0.967 |
220 |
1402 |
|
|
2 |
A' |
3156 |
3010 |
0.954 |
220 |
1403 |
|
|
3 |
A' |
3148 |
2965 |
0.942 |
220 |
1404 |
|
|
4 |
A' |
3044 |
2905 |
0.954 |
220 |
1405 |
|
|
5 |
A' |
2095 |
1970 |
0.940 |
220 |
1406 |
|
|
6 |
A' |
1542 |
1453 |
0.942 |
220 |
1407 |
|
|
7 |
A' |
1512 |
1437 |
0.950 |
220 |
1408 |
|
|
8 |
A' |
1452 |
1389 |
0.956 |
220 |
1409 |
|
|
9 |
A' |
1400 |
1330 |
0.950 |
220 |
1410 |
|
|
10 |
A' |
1184 |
1132 |
0.956 |
220 |
1411 |
|
|
11 |
A' |
1123 |
1074 |
0.956 |
220 |
1412 |
|
|
12 |
A' |
925 |
876 |
0.947 |
220 |
1413 |
|
|
13 |
A' |
898 |
859 |
0.956 |
220 |
1414 |
|
|
14 |
A' |
584 |
555 |
0.950 |
220 |
1415 |
|
|
15 |
A' |
215 |
210 |
0.975 |
220 |
1416 |
|
|
16 |
A" |
3233 |
3061 |
0.947 |
220 |
1417 |
|
|
17 |
A" |
3110 |
2965 |
0.953 |
220 |
1418 |
|
|
18 |
A" |
1528 |
1453 |
0.951 |
220 |
1419 |
|
|
19 |
A" |
1092 |
1110 |
1.016 |
220 |
1420 |
|
|
20 |
A" |
1060 |
1011 |
0.954 |
220 |
1421 |
|
|
21 |
A" |
921 |
842 |
0.914 |
220 |
1422 |
|
|
22 |
A" |
557 |
523 |
0.939 |
220 |
1423 |
|
|
23 |
A" |
346 |
322 |
0.932 |
220 |
1424 |
C4H6 |
Cyclobutene |
1 |
A1 |
3267 |
3060 |
0.937 |
221 |
1425 |
|
|
2 |
A1 |
3077 |
2935 |
0.954 |
221 |
1426 |
|
|
3 |
A1 |
1650 |
1570 |
0.952 |
221 |
1427 |
|
|
4 |
A1 |
1525 |
1450 |
0.951 |
221 |
1428 |
|
|
5 |
A1 |
1238 |
1276 |
1.031 |
221 |
1429 |
|
|
6 |
A1 |
1151 |
1186 |
1.030 |
221 |
1430 |
|
|
7 |
A1 |
1023 |
1113 |
1.088 |
221 |
1431 |
|
|
8 |
A1 |
903 |
886 |
0.981 |
221 |
1432 |
|
|
9 |
A2 |
3119 |
2955 |
0.947 |
221 |
1433 |
|
|
10 |
A2 |
1187 |
1276 |
1.075 |
221 |
1434 |
|
|
11 |
A2 |
1067 |
1081 |
1.013 |
221 |
1435 |
|
|
12 |
A2 |
961 |
850 |
0.885 |
221 |
1436 |
|
|
13 |
A2 |
328 |
325 |
0.989 |
221 |
1437 |
|
|
14 |
B1 |
3135 |
2955 |
0.943 |
221 |
1438 |
|
|
15 |
B1 |
1121 |
1074 |
0.958 |
221 |
1439 |
|
|
16 |
B1 |
889 |
846 |
0.951 |
221 |
1440 |
|
|
17 |
B1 |
681 |
635 |
0.932 |
221 |
1441 |
|
|
18 |
B2 |
3229 |
3047 |
0.944 |
221 |
1442 |
|
|
19 |
B2 |
3069 |
2916 |
0.950 |
221 |
1443 |
|
|
20 |
B2 |
1510 |
1427 |
0.945 |
221 |
1444 |
|
|
21 |
B2 |
1338 |
1294 |
0.967 |
221 |
1445 |
|
|
22 |
B2 |
1276 |
1214 |
0.952 |
221 |
1446 |
|
|
23 |
B2 |
914 |
888 |
0.971 |
221 |
1447 |
|
|
24 |
B2 |
877 |
740 |
0.843 |
221 |
1448 |
C4H6 |
Methylenecyclopropane |
1 |
A1 |
3164 |
3010 |
0.951 |
222 |
1449 |
|
|
2 |
A1 |
3150 |
3002 |
0.953 |
222 |
1450 |
|
|
3 |
A1 |
1876 |
1743 |
0.929 |
222 |
1451 |
|
|
4 |
A1 |
1520 |
1437 |
0.945 |
222 |
1452 |
|
|
5 |
A1 |
1488 |
1410 |
0.947 |
222 |
1453 |
|
|
6 |
A1 |
1090 |
1036 |
0.951 |
222 |
1454 |
|
|
7 |
A1 |
1081 |
1002 |
0.927 |
222 |
1455 |
|
|
8 |
A1 |
752 |
723 |
0.962 |
222 |
1456 |
|
|
9 |
A2 |
3225 |
3051 |
0.946 |
222 |
1457 |
|
|
10 |
A2 |
1189 |
1144 |
0.962 |
222 |
1458 |
|
|
11 |
A2 |
986 |
937 |
0.950 |
222 |
1459 |
|
|
12 |
A2 |
642 |
616 |
0.960 |
222 |
1460 |
|
|
13 |
B1 |
3240 |
3071 |
0.948 |
222 |
1461 |
|
|
14 |
B1 |
1124 |
1072 |
0.954 |
222 |
1462 |
|
|
15 |
B1 |
959 |
889 |
0.927 |
222 |
1463 |
|
|
16 |
B1 |
785 |
748 |
0.953 |
222 |
1464 |
|
|
17 |
B1 |
309 |
360 |
1.167 |
222 |
1465 |
|
|
18 |
B2 |
3251 |
3086 |
0.949 |
222 |
1466 |
|
|
19 |
B2 |
3146 |
2999 |
0.953 |
222 |
1467 |
|
|
20 |
B2 |
1493 |
1353 |
0.906 |
222 |
1468 |
|
|
21 |
B2 |
1176 |
1174 |
0.998 |
222 |
1469 |
|
|
22 |
B2 |
1131 |
1125 |
0.995 |
222 |
1470 |
|
|
23 |
B2 |
917 |
792 |
0.864 |
222 |
1471 |
|
|
24 |
B2 |
366 |
290 |
0.791 |
222 |
1472 |
CH3CH2NH2 |
Ethylamine |
1 |
A' |
3570 |
3345 |
0.937 |
223 |
1473 |
|
|
2 |
A' |
3125 |
2985 |
0.955 |
223 |
1474 |
|
|
3 |
A' |
3053 |
2840 |
0.930 |
223 |
1475 |
|
|
4 |
A' |
3038 |
2860 |
0.941 |
223 |
1476 |
|
|
5 |
A' |
1713 |
1622 |
0.947 |
223 |
1477 |
|
|
6 |
A' |
1544 |
1487 |
0.963 |
223 |
1478 |
|
|
7 |
A' |
1528 |
1465 |
0.959 |
223 |
1479 |
|
|
8 |
A' |
1446 |
1378 |
0.953 |
223 |
1480 |
|
|
9 |
A' |
1413 |
1397 |
0.989 |
223 |
1481 |
|
|
10 |
A' |
1173 |
1016 |
0.866 |
223 |
1482 |
|
|
11 |
A' |
1085 |
1086 |
1.001 |
223 |
1483 |
|
|
12 |
A' |
907 |
892 |
0.983 |
223 |
1484 |
|
|
13 |
A' |
597 |
773 |
1.295 |
223 |
1485 |
|
|
14 |
A' |
402 |
403 |
1.003 |
223 |
1486 |
|
|
15 |
A" |
3691 |
3412 |
0.925 |
223 |
1487 |
|
|
16 |
A" |
3132 |
2924 |
0.934 |
223 |
1488 |
|
|
17 |
A" |
3093 |
2906 |
0.939 |
223 |
1489 |
|
|
18 |
A" |
1537 |
1455 |
0.947 |
223 |
1490 |
|
|
19 |
A" |
1397 |
1238 |
0.886 |
223 |
1491 |
|
|
20 |
A" |
1288 |
1293 |
1.004 |
223 |
1492 |
|
|
21 |
A" |
1013 |
1117 |
1.103 |
223 |
1493 |
|
|
22 |
A" |
793 |
816 |
1.029 |
223 |
1494 |
|
|
23 |
A" |
277 |
259 |
0.936 |
223 |
1495 |
|
|
24 |
A" |
250 |
218 |
0.874 |
223 |
1496 |
C4H5N |
Pyrrole |
1 |
A1 |
3720 |
3531 |
0.949 |
224 |
1497 |
|
|
2 |
A1 |
3321 |
3149 |
0.948 |
224 |
1498 |
|
|
3 |
A1 |
3293 |
3128 |
0.950 |
224 |
1499 |
|
|
4 |
A1 |
1520 |
1472 |
0.969 |
224 |
1500 |
|
|
5 |
A1 |
1450 |
1401 |
0.966 |
224 |
1501 |
|
|
6 |
A1 |
1186 |
1148 |
0.968 |
224 |
1502 |
|
|
7 |
A1 |
1125 |
1075 |
0.955 |
224 |
1503 |
|
|
8 |
A1 |
1057 |
1017 |
0.962 |
224 |
1504 |
|
|
9 |
A1 |
923 |
882 |
0.955 |
224 |
1505 |
|
|
10 |
A2 |
923 |
864 |
0.936 |
224 |
1506 |
|
|
11 |
A2 |
724 |
692 |
0.956 |
224 |
1507 |
|
|
12 |
A2 |
641 |
614 |
0.957 |
224 |
1508 |
|
|
13 |
B1 |
869 |
827 |
0.951 |
224 |
1509 |
|
|
14 |
B1 |
755 |
722 |
0.957 |
224 |
1510 |
|
|
15 |
B1 |
651 |
621 |
0.953 |
224 |
1511 |
|
|
16 |
B1 |
621 |
475 |
0.765 |
224 |
1512 |
|
|
17 |
B2 |
3313 |
3143 |
0.949 |
224 |
1513 |
|
|
18 |
B2 |
3280 |
3119 |
0.951 |
224 |
1514 |
|
|
19 |
B2 |
1606 |
1519 |
0.946 |
224 |
1515 |
|
|
20 |
B2 |
1481 |
1424 |
0.962 |
224 |
1516 |
|
|
21 |
B2 |
1346 |
1288 |
0.957 |
224 |
1517 |
|
|
22 |
B2 |
1200 |
1134 |
0.945 |
224 |
1518 |
|
|
23 |
B2 |
1093 |
1049 |
0.959 |
224 |
1519 |
|
|
24 |
B2 |
901 |
866 |
0.961 |
224 |
1520 |
C4H5N |
Cyclopropanecarbonitrile |
1 |
A' |
3290 |
3120 |
0.948 |
225 |
1521 |
|
|
2 |
A' |
3208 |
3052 |
0.951 |
225 |
1522 |
|
|
3 |
A' |
3189 |
3044 |
0.954 |
225 |
1523 |
|
|
4 |
A' |
2319 |
2264 |
0.976 |
225 |
1524 |
|
|
5 |
A' |
1535 |
1468 |
0.956 |
225 |
1525 |
|
|
6 |
A' |
1415 |
1344 |
0.950 |
225 |
1526 |
|
|
7 |
A' |
1244 |
1195 |
0.961 |
225 |
1527 |
|
|
8 |
A' |
1165 |
1125 |
0.965 |
225 |
1528 |
|
|
9 |
A' |
1112 |
1049 |
0.944 |
225 |
1529 |
|
|
10 |
A' |
986 |
941 |
0.954 |
225 |
1530 |
|
|
11 |
A' |
836 |
808 |
0.966 |
225 |
1531 |
|
|
12 |
A' |
772 |
736 |
0.953 |
225 |
1532 |
|
|
13 |
A' |
539 |
527 |
0.978 |
225 |
1533 |
|
|
14 |
A' |
217 |
222 |
1.025 |
225 |
1534 |
|
|
15 |
A" |
3274 |
3094 |
0.945 |
225 |
1535 |
|
|
16 |
A" |
3184 |
3040 |
0.955 |
225 |
1536 |
|
|
17 |
A" |
1513 |
1442 |
0.953 |
225 |
1537 |
|
|
18 |
A" |
1229 |
1180 |
0.960 |
225 |
1538 |
|
|
19 |
A" |
1158 |
1070 |
0.924 |
225 |
1539 |
|
|
20 |
A" |
1125 |
1088 |
0.967 |
225 |
1540 |
|
|
21 |
A" |
928 |
880 |
0.949 |
225 |
1541 |
|
|
22 |
A" |
852 |
821 |
0.963 |
225 |
1542 |
|
|
23 |
A" |
552 |
543 |
0.984 |
225 |
1543 |
|
|
24 |
A" |
215 |
222 |
1.031 |
225 |
1544 |
C4H4N2 |
Pyridazine |
1 |
A1 |
3260 |
3063 |
0.940 |
226 |
1545 |
|
|
2 |
A1 |
3240 |
3043 |
0.939 |
226 |
1546 |
|
|
3 |
A1 |
1620 |
1572 |
0.970 |
226 |
1547 |
|
|
4 |
A1 |
1483 |
1414 |
0.954 |
226 |
1548 |
|
|
5 |
A1 |
1221 |
1283 |
1.051 |
226 |
1549 |
|
|
6 |
A1 |
1183 |
1160 |
0.980 |
226 |
1550 |
|
|
7 |
A1 |
1087 |
1063 |
0.978 |
226 |
1551 |
|
|
8 |
A1 |
982 |
964 |
0.982 |
226 |
1552 |
|
|
9 |
A1 |
690 |
619 |
0.897 |
226 |
1553 |
|
|
10 |
A2 |
1050 |
936 |
0.892 |
226 |
1554 |
|
|
11 |
A2 |
964 |
863 |
0.895 |
226 |
1555 |
|
|
12 |
A2 |
776 |
751 |
0.968 |
226 |
1556 |
|
|
13 |
A2 |
381 |
421 |
1.105 |
226 |
1557 |
|
|
14 |
B1 |
1010 |
|
|
226 |
1558 |
|
|
15 |
B1 |
779 |
760 |
0.975 |
226 |
1559 |
|
|
16 |
B1 |
379 |
370 |
0.977 |
226 |
1560 |
|
|
17 |
B2 |
3251 |
3075 |
0.946 |
226 |
1561 |
|
|
18 |
B2 |
3227 |
3043 |
0.943 |
226 |
1562 |
|
|
19 |
B2 |
1609 |
1565 |
0.973 |
226 |
1563 |
|
|
20 |
B2 |
1456 |
1444 |
0.992 |
226 |
1564 |
|
|
21 |
B2 |
1323 |
1239 |
0.936 |
226 |
1565 |
|
|
22 |
B2 |
1104 |
1052 |
0.953 |
226 |
1566 |
|
|
23 |
B2 |
1049 |
1009 |
0.962 |
226 |
1567 |
|
|
24 |
B2 |
643 |
664 |
1.033 |
226 |
1568 |
C4H4N2 |
1,3-Diazine |
1 |
A1 |
3258 |
3082 |
0.946 |
227 |
1569 |
|
|
2 |
A1 |
3252 |
3053 |
0.939 |
227 |
1570 |
|
|
3 |
A1 |
3220 |
3049 |
0.947 |
227 |
1571 |
|
|
4 |
A1 |
1606 |
1572 |
0.979 |
227 |
1572 |
|
|
5 |
A1 |
1443 |
1465 |
1.015 |
227 |
1573 |
|
|
6 |
A1 |
1172 |
1155 |
0.986 |
227 |
1574 |
|
|
7 |
A1 |
1094 |
1065 |
0.973 |
227 |
1575 |
|
|
8 |
A1 |
999 |
969 |
0.970 |
227 |
1576 |
|
|
9 |
A1 |
700 |
679 |
0.970 |
227 |
1577 |
|
|
10 |
A2 |
1014 |
960 |
0.947 |
227 |
1578 |
|
|
11 |
A2 |
418 |
398 |
0.952 |
227 |
1579 |
|
|
12 |
B1 |
1044 |
1033 |
0.990 |
227 |
1580 |
|
|
13 |
B1 |
999 |
980 |
0.981 |
227 |
1581 |
|
|
14 |
B1 |
836 |
804 |
0.961 |
227 |
1582 |
|
|
15 |
B1 |
757 |
719 |
0.950 |
227 |
1583 |
|
|
16 |
B1 |
358 |
347 |
0.969 |
227 |
1584 |
|
|
17 |
B2 |
3225 |
3047 |
0.945 |
227 |
1585 |
|
|
18 |
B2 |
1608 |
1569 |
0.976 |
227 |
1586 |
|
|
19 |
B2 |
1500 |
1411 |
0.940 |
227 |
1587 |
|
|
20 |
B2 |
1413 |
1356 |
0.959 |
227 |
1588 |
|
|
21 |
B2 |
1262 |
1224 |
0.970 |
227 |
1589 |
|
|
22 |
B2 |
1242 |
1158 |
0.932 |
227 |
1590 |
|
|
23 |
B2 |
1101 |
1071 |
0.973 |
227 |
1591 |
|
|
24 |
B2 |
639 |
621 |
0.971 |
227 |
1592 |
C4H4N2 |
Pyrazine |
1 |
Ag |
3250 |
3055 |
0.940 |
228 |
1593 |
|
|
2 |
Ag |
1612 |
1580 |
0.980 |
228 |
1594 |
|
|
3 |
Ag |
1274 |
1233 |
0.968 |
228 |
1595 |
|
|
4 |
Ag |
1042 |
1016 |
0.975 |
228 |
1596 |
|
|
5 |
Ag |
617 |
602 |
0.976 |
228 |
1597 |
|
|
6 |
Au |
1024 |
960 |
0.938 |
228 |
1598 |
|
|
7 |
Au |
341 |
350 |
1.027 |
228 |
1599 |
|
|
8 |
B1g |
961 |
927 |
0.965 |
228 |
1600 |
|
|
9 |
B1u |
3226 |
3012 |
0.934 |
228 |
1601 |
|
|
10 |
B1u |
1516 |
1483 |
0.978 |
228 |
1602 |
|
|
11 |
B1u |
1169 |
1130 |
0.967 |
228 |
1603 |
|
|
12 |
B1u |
1022 |
1018 |
0.996 |
228 |
1604 |
|
|
13 |
B2g |
1015 |
983 |
0.968 |
228 |
1605 |
|
|
14 |
B2g |
788 |
756 |
0.959 |
228 |
1606 |
|
|
15 |
B2u |
3241 |
3069 |
0.947 |
228 |
1607 |
|
|
16 |
B2u |
1456 |
1411 |
0.969 |
228 |
1608 |
|
|
17 |
B2u |
1253 |
1149 |
0.917 |
228 |
1609 |
|
|
18 |
B2u |
1108 |
1063 |
0.959 |
228 |
1610 |
|
|
19 |
B3g |
3224 |
3040 |
0.943 |
228 |
1611 |
|
|
20 |
B3g |
1574 |
1525 |
0.969 |
228 |
1612 |
|
|
21 |
B3g |
1396 |
1346 |
0.964 |
228 |
1613 |
|
|
22 |
B3g |
726 |
704 |
0.970 |
228 |
1614 |
|
|
23 |
B3u |
819 |
785 |
0.958 |
228 |
1615 |
|
|
24 |
B3u |
446 |
418 |
0.937 |
228 |
1616 |
CH3COCH3 |
Acetone |
1 |
A1 |
3189 |
3019 |
0.947 |
229 |
1617 |
|
|
2 |
A1 |
3058 |
2937 |
0.960 |
229 |
1618 |
|
|
3 |
A1 |
1746 |
1731 |
0.991 |
229 |
1619 |
|
|
4 |
A1 |
1508 |
1435 |
0.952 |
229 |
1620 |
|
|
5 |
A1 |
1436 |
1364 |
0.950 |
229 |
1621 |
|
|
6 |
A1 |
1111 |
1066 |
0.960 |
229 |
1622 |
|
|
7 |
A1 |
808 |
777 |
0.962 |
229 |
1623 |
|
|
8 |
A1 |
386 |
385 |
0.998 |
229 |
1624 |
|
|
9 |
A2 |
3125 |
2963 |
0.948 |
229 |
1625 |
|
|
10 |
A2 |
1508 |
1426 |
0.945 |
229 |
1626 |
|
|
11 |
A2 |
928 |
877 |
0.945 |
229 |
1627 |
|
|
12 |
A2 |
40 |
77 |
1.944 |
229 |
1628 |
|
|
13 |
B1 |
3132 |
2972 |
0.949 |
229 |
1629 |
|
|
14 |
B1 |
1528 |
1454 |
0.951 |
229 |
1630 |
|
|
15 |
B1 |
1149 |
1091 |
0.949 |
229 |
1631 |
|
|
16 |
B1 |
499 |
484 |
0.971 |
229 |
1632 |
|
|
17 |
B1 |
133 |
125 |
0.941 |
229 |
1633 |
|
|
18 |
B2 |
3188 |
3019 |
0.947 |
229 |
1634 |
|
|
19 |
B2 |
3052 |
2937 |
0.962 |
229 |
1635 |
|
|
20 |
B2 |
1501 |
1410 |
0.939 |
229 |
1636 |
|
|
21 |
B2 |
1430 |
1364 |
0.954 |
229 |
1637 |
|
|
22 |
B2 |
1280 |
1216 |
0.950 |
229 |
1638 |
|
|
23 |
B2 |
931 |
891 |
0.957 |
229 |
1639 |
|
|
24 |
B2 |
534 |
530 |
0.993 |
229 |
1640 |
C3H6O |
2-Propen-1-ol |
1 |
A |
3677 |
3675 |
0.999 |
230 |
1641 |
|
|
2 |
A |
3265 |
3102 |
0.950 |
230 |
1642 |
|
|
3 |
A |
3196 |
3022 |
0.946 |
230 |
1643 |
|
|
4 |
A |
3170 |
2995 |
0.945 |
230 |
1644 |
|
|
5 |
A |
3044 |
2934 |
0.964 |
230 |
1645 |
|
|
6 |
A |
2988 |
2866 |
0.959 |
230 |
1646 |
|
|
7 |
A |
1742 |
1654 |
0.949 |
230 |
1647 |
|
|
8 |
A |
1548 |
1453 |
0.938 |
230 |
1648 |
|
|
9 |
A |
1501 |
1414 |
0.942 |
230 |
1649 |
|
|
10 |
A |
1443 |
1384 |
0.959 |
230 |
1650 |
|
|
11 |
A |
1343 |
1320 |
0.983 |
230 |
1651 |
|
|
12 |
A |
1285 |
1293 |
1.006 |
230 |
1652 |
|
|
13 |
A |
1241 |
1191 |
0.960 |
230 |
1653 |
|
|
14 |
A |
1170 |
1132 |
0.967 |
230 |
1654 |
|
|
15 |
A |
1053 |
1110 |
1.054 |
230 |
1655 |
|
|
16 |
A |
1029 |
1038 |
1.009 |
230 |
1656 |
|
|
17 |
A |
994 |
995 |
1.001 |
230 |
1657 |
|
|
18 |
A |
982 |
919 |
0.936 |
230 |
1658 |
|
|
19 |
A |
935 |
885 |
0.947 |
230 |
1659 |
|
|
20 |
A |
656 |
606 |
0.923 |
230 |
1660 |
|
|
22 |
A |
325 |
377 |
1.159 |
230 |
1661 |
|
|
23 |
A |
260 |
277 |
1.068 |
230 |
1662 |
|
|
24 |
A |
107 |
188 |
1.764 |
230 |
1663 |
CH3CH2CHO |
Propanal |
1 |
A' |
3158 |
2981 |
0.944 |
231 |
1664 |
|
|
2 |
A' |
3072 |
2904 |
0.945 |
231 |
1665 |
|
|
3 |
A' |
3029 |
2895 |
0.956 |
231 |
1666 |
|
|
4 |
A' |
2961 |
2809 |
0.949 |
231 |
1667 |
|
|
5 |
A' |
1748 |
1743 |
0.997 |
231 |
1668 |
|
|
6 |
A' |
1542 |
1460 |
0.947 |
231 |
1669 |
|
|
7 |
A' |
1494 |
1416 |
0.948 |
231 |
1670 |
|
|
8 |
A' |
1464 |
1390 |
0.949 |
231 |
1671 |
|
|
9 |
A' |
1441 |
1376 |
0.955 |
231 |
1672 |
|
|
10 |
A' |
1386 |
1335 |
0.963 |
231 |
1673 |
|
|
11 |
A' |
1138 |
1093 |
0.961 |
231 |
1674 |
|
|
12 |
A' |
1047 |
993 |
0.949 |
231 |
1675 |
|
|
13 |
A' |
880 |
848 |
0.963 |
231 |
1676 |
|
|
14 |
A' |
683 |
668 |
0.978 |
231 |
1677 |
|
|
15 |
A' |
261 |
271 |
1.038 |
231 |
1678 |
|
|
16 |
A" |
3161 |
2992 |
0.947 |
231 |
1679 |
|
|
17 |
A" |
3060 |
2942 |
0.961 |
231 |
1680 |
|
|
18 |
A" |
1537 |
1451 |
0.944 |
231 |
1681 |
|
|
19 |
A" |
1301 |
1250 |
0.961 |
231 |
1682 |
|
|
20 |
A" |
1166 |
1118 |
0.958 |
231 |
1683 |
|
|
21 |
A" |
926 |
892 |
0.963 |
231 |
1684 |
|
|
22 |
A" |
703 |
660 |
0.938 |
231 |
1685 |
|
|
23 |
A" |
224 |
220 |
0.983 |
231 |
1686 |
|
|
24 |
A" |
126 |
135 |
1.074 |
231 |
1687 |
C3H6O |
Oxetane |
1 |
A1 |
3111 |
2959 |
0.951 |
232 |
1688 |
|
|
2 |
A1 |
3085 |
2930 |
0.950 |
232 |
1689 |
|
|
3 |
A1 |
1577 |
1473 |
0.934 |
232 |
1690 |
|
|
4 |
A1 |
1532 |
1461 |
0.954 |
232 |
1691 |
|
|
5 |
A1 |
1375 |
1342 |
0.976 |
232 |
1692 |
|
|
6 |
A1 |
1038 |
1134 |
1.093 |
232 |
1693 |
|
|
7 |
A1 |
886 |
1018 |
1.149 |
232 |
1694 |
|
|
8 |
A1 |
800 |
908 |
1.135 |
232 |
1695 |
|
|
9 |
A2 |
3137 |
3000 |
0.956 |
232 |
1696 |
|
|
10 |
A2 |
1261 |
1283 |
1.017 |
232 |
1697 |
|
|
11 |
A2 |
1139 |
1185 |
1.041 |
232 |
1698 |
|
|
12 |
A2 |
873 |
986 |
1.129 |
232 |
1699 |
|
|
13 |
B1 |
3175 |
3007 |
0.947 |
232 |
1700 |
|
|
14 |
B1 |
3134 |
2940 |
0.938 |
232 |
1701 |
|
|
15 |
B1 |
1218 |
1225 |
1.006 |
232 |
1702 |
|
|
16 |
B1 |
1124 |
1142 |
1.016 |
232 |
1703 |
|
|
17 |
B1 |
790 |
836 |
1.058 |
232 |
1704 |
|
|
18 |
B1 |
80 |
90 |
1.120 |
232 |
1705 |
|
|
19 |
B2 |
3076 |
2966 |
0.964 |
232 |
1706 |
|
|
20 |
B2 |
1552 |
1508 |
0.972 |
232 |
1707 |
|
|
21 |
B2 |
1323 |
1458 |
1.102 |
232 |
1708 |
|
|
22 |
B2 |
1298 |
1363 |
1.050 |
232 |
1709 |
|
|
23 |
B2 |
999 |
1228 |
1.229 |
232 |
1710 |
|
|
24 |
B2 |
946 |
936 |
0.989 |
232 |
1711 |
CH3OCH2CN |
Methoxyacetonitrile |
1 |
A |
3197 |
3018 |
0.944 |
233 |
1712 |
|
|
2 |
A |
3145 |
2985 |
0.949 |
233 |
1713 |
|
|
3 |
A |
3110 |
2958 |
0.951 |
233 |
1714 |
|
|
4 |
A |
3031 |
2945 |
0.971 |
233 |
1715 |
|
|
5 |
A |
3027 |
2922 |
0.965 |
233 |
1716 |
|
|
6 |
A |
2323 |
2245 |
0.967 |
233 |
1717 |
|
|
7 |
A |
1543 |
1472 |
0.954 |
233 |
1718 |
|
|
8 |
A |
1527 |
1452 |
0.951 |
233 |
1719 |
|
|
9 |
A |
1511 |
1439 |
0.953 |
233 |
1720 |
|
|
10 |
A |
1498 |
1431 |
0.956 |
233 |
1721 |
|
|
11 |
A |
1399 |
1368 |
0.978 |
233 |
1722 |
|
|
12 |
A |
1308 |
1287 |
0.984 |
233 |
1723 |
|
|
13 |
A |
1204 |
1199 |
0.996 |
233 |
1724 |
|
|
14 |
A |
1170 |
1161 |
0.992 |
233 |
1725 |
|
|
15 |
A |
1111 |
1127 |
1.014 |
233 |
1726 |
|
|
16 |
A |
1032 |
1016 |
0.984 |
233 |
1727 |
|
|
17 |
A |
931 |
925 |
0.993 |
233 |
1728 |
|
|
18 |
A |
881 |
890 |
1.010 |
233 |
1729 |
|
|
19 |
A |
596 |
586 |
0.983 |
233 |
1730 |
|
|
20 |
A |
378 |
404 |
1.068 |
233 |
1731 |
|
|
21 |
A |
361 |
347 |
0.962 |
233 |
1732 |
|
|
22 |
A |
243 |
243 |
0.999 |
233 |
1733 |
|
|
23 |
A |
173 |
170 |
0.984 |
233 |
1734 |
|
|
24 |
A |
113 |
113 |
1.004 |
233 |
1735 |
CH3SSCH3 |
Disulfide, dimethyl |
1 |
A |
3217 |
2990 |
0.929 |
234 |
1736 |
|
|
2 |
A |
3198 |
2983 |
0.933 |
234 |
1737 |
|
|
3 |
A |
3089 |
2913 |
0.943 |
234 |
1738 |
|
|
4 |
A |
1515 |
1426 |
0.942 |
234 |
1739 |
|
|
5 |
A |
1503 |
1419 |
0.944 |
234 |
1740 |
|
|
6 |
A |
1395 |
1311 |
0.940 |
234 |
1741 |
|
|
7 |
A |
1004 |
955 |
0.952 |
234 |
1742 |
|
|
8 |
A |
1001 |
949 |
0.948 |
234 |
1743 |
|
|
9 |
A |
665 |
694 |
1.043 |
234 |
1744 |
|
|
10 |
A |
438 |
509 |
1.162 |
234 |
1745 |
|
|
11 |
A |
201 |
240 |
1.192 |
234 |
1746 |
|
|
12 |
A |
128 |
134 |
1.046 |
234 |
1747 |
|
|
13 |
A |
80 |
117 |
1.471 |
234 |
1748 |
|
|
14 |
B |
3217 |
2990 |
0.930 |
234 |
1749 |
|
|
15 |
B |
3197 |
2983 |
0.933 |
234 |
1750 |
|
|
16 |
B |
3088 |
2915 |
0.944 |
234 |
1751 |
|
|
17 |
B |
1518 |
1430 |
0.942 |
234 |
1752 |
|
|
18 |
B |
1498 |
1415 |
0.944 |
234 |
1753 |
|
|
19 |
B |
1389 |
1303 |
0.938 |
234 |
1754 |
|
|
20 |
B |
1004 |
955 |
0.951 |
234 |
1755 |
|
|
21 |
B |
998 |
949 |
0.951 |
234 |
1756 |
|
|
22 |
B |
664 |
691 |
1.040 |
234 |
1757 |
|
|
23 |
B |
228 |
274 |
1.203 |
234 |
1758 |
|
|
24 |
B |
139 |
134 |
0.967 |
234 |
1759 |
C3H8 |
Propane |
1 |
A1 |
3133 |
2977 |
0.950 |
235 |
1760 |
|
|
2 |
A1 |
3046 |
2962 |
0.972 |
235 |
1761 |
|
|
3 |
A1 |
3042 |
2887 |
0.949 |
235 |
1762 |
|
|
4 |
A1 |
1555 |
1476 |
0.949 |
235 |
1763 |
|
|
5 |
A1 |
1538 |
1462 |
0.950 |
235 |
1764 |
|
|
6 |
A1 |
1464 |
1392 |
0.951 |
235 |
1765 |
|
|
7 |
A1 |
1206 |
1158 |
0.960 |
235 |
1766 |
|
|
8 |
A1 |
894 |
869 |
0.972 |
235 |
1767 |
|
|
9 |
A1 |
375 |
369 |
0.985 |
235 |
1768 |
|
|
10 |
A2 |
3121 |
2967 |
0.951 |
235 |
1769 |
|
|
11 |
A2 |
1533 |
1451 |
0.946 |
235 |
1770 |
|
|
12 |
A2 |
1341 |
1278 |
0.953 |
235 |
1771 |
|
|
13 |
A2 |
943 |
940 |
0.996 |
235 |
1772 |
|
|
14 |
A2 |
215 |
216 |
1.004 |
235 |
1773 |
|
|
15 |
B1 |
3133 |
2973 |
0.949 |
235 |
1774 |
|
|
16 |
B1 |
3076 |
2968 |
0.965 |
235 |
1775 |
|
|
17 |
B1 |
1549 |
1472 |
0.950 |
235 |
1776 |
|
|
18 |
B1 |
1245 |
1192 |
0.957 |
235 |
1777 |
|
|
19 |
B1 |
777 |
748 |
0.963 |
235 |
1778 |
|
|
20 |
B1 |
266 |
268 |
1.007 |
235 |
1779 |
|
|
21 |
B2 |
3130 |
2968 |
0.948 |
235 |
1780 |
|
|
22 |
B2 |
3043 |
2887 |
0.949 |
235 |
1781 |
|
|
23 |
B2 |
1539 |
1464 |
0.951 |
235 |
1782 |
|
|
24 |
B2 |
1446 |
1378 |
0.953 |
235 |
1783 |
|
|
25 |
B2 |
1401 |
1338 |
0.955 |
235 |
1784 |
|
|
26 |
B2 |
1095 |
1054 |
0.963 |
235 |
1785 |
|
|
27 |
B2 |
960 |
922 |
0.961 |
235 |
1786 |
C5H6 |
1,3-Cyclopentadiene |
1 |
A1 |
3280 |
3091 |
0.942 |
236 |
1787 |
|
|
2 |
A1 |
3250 |
3075 |
0.946 |
236 |
1788 |
|
|
3 |
A1 |
3044 |
2886 |
0.948 |
236 |
1789 |
|
|
4 |
A1 |
1578 |
1500 |
0.951 |
236 |
1790 |
|
|
5 |
A1 |
1457 |
1378 |
0.946 |
236 |
1791 |
|
|
6 |
A1 |
1426 |
1365 |
0.957 |
236 |
1792 |
|
|
7 |
A1 |
1157 |
1106 |
0.956 |
236 |
1793 |
|
|
8 |
A1 |
1039 |
994 |
0.957 |
236 |
1794 |
|
|
9 |
A1 |
944 |
915 |
0.969 |
236 |
1795 |
|
|
10 |
A1 |
835 |
802 |
0.961 |
236 |
1796 |
|
|
11 |
A2 |
1143 |
1100 |
0.963 |
236 |
1797 |
|
|
12 |
A2 |
985 |
941 |
0.955 |
236 |
1798 |
|
|
13 |
A2 |
739 |
700 |
0.947 |
236 |
1799 |
|
|
14 |
A2 |
537 |
516 |
0.960 |
236 |
1800 |
|
|
15 |
B1 |
3080 |
2900 |
0.942 |
236 |
1801 |
|
|
16 |
B1 |
976 |
925 |
0.947 |
236 |
1802 |
|
|
17 |
B1 |
943 |
891 |
0.945 |
236 |
1803 |
|
|
18 |
B1 |
702 |
664 |
0.945 |
236 |
1804 |
|
|
19 |
B1 |
359 |
350 |
0.974 |
236 |
1805 |
|
|
20 |
B2 |
3269 |
3105 |
0.950 |
236 |
1806 |
|
|
21 |
B2 |
3239 |
3043 |
0.939 |
236 |
1807 |
|
|
22 |
B2 |
1660 |
1580 |
0.952 |
236 |
1808 |
|
|
23 |
B2 |
1347 |
1292 |
0.959 |
236 |
1809 |
|
|
24 |
B2 |
1289 |
1239 |
0.961 |
236 |
1810 |
|
|
25 |
B2 |
1143 |
1090 |
0.954 |
236 |
1811 |
|
|
26 |
B2 |
1002 |
959 |
0.957 |
236 |
1812 |
|
|
27 |
B2 |
836 |
805 |
0.962 |
236 |
1813 |
C5H5N |
Pyridine |
1 |
A1 |
3245 |
3094 |
0.954 |
237 |
1814 |
|
|
2 |
A1 |
3220 |
3073 |
0.954 |
237 |
1815 |
|
|
3 |
A1 |
3208 |
3030 |
0.944 |
237 |
1816 |
|
|
4 |
A1 |
1641 |
1584 |
0.965 |
237 |
1817 |
|
|
5 |
A1 |
1528 |
1483 |
0.971 |
237 |
1818 |
|
|
6 |
A1 |
1265 |
1218 |
0.963 |
237 |
1819 |
|
|
7 |
A1 |
1113 |
1072 |
0.963 |
237 |
1820 |
|
|
8 |
A1 |
1063 |
1032 |
0.971 |
237 |
1821 |
|
|
9 |
A1 |
1010 |
991 |
0.981 |
237 |
1822 |
|
|
10 |
A1 |
627 |
601 |
0.960 |
237 |
1823 |
|
|
11 |
A2 |
1025 |
980 |
0.956 |
237 |
1824 |
|
|
12 |
A2 |
922 |
880 |
0.955 |
237 |
1825 |
|
|
13 |
A2 |
388 |
373 |
0.962 |
237 |
1826 |
|
|
14 |
B1 |
1047 |
1007 |
0.961 |
237 |
1827 |
|
|
15 |
B1 |
979 |
937 |
0.957 |
237 |
1828 |
|
|
16 |
B1 |
776 |
744 |
0.959 |
237 |
1829 |
|
|
17 |
B1 |
737 |
700 |
0.950 |
237 |
1830 |
|
|
18 |
B1 |
430 |
403 |
0.938 |
237 |
1831 |
|
|
19 |
B2 |
3234 |
3087 |
0.955 |
237 |
1832 |
|
|
20 |
B2 |
3210 |
3042 |
0.948 |
237 |
1833 |
|
|
21 |
B2 |
1638 |
1581 |
0.965 |
237 |
1834 |
|
|
22 |
B2 |
1495 |
1442 |
0.965 |
237 |
1835 |
|
|
23 |
B2 |
1414 |
1362 |
0.964 |
237 |
1836 |
|
|
24 |
B2 |
1325 |
1227 |
0.926 |
237 |
1837 |
|
|
25 |
B2 |
1212 |
1143 |
0.943 |
237 |
1838 |
|
|
26 |
B2 |
1098 |
1079 |
0.982 |
237 |
1839 |
|
|
27 |
B2 |
681 |
652 |
0.958 |
237 |
1840 |
CHOCHCHCH3 |
2-Butenal |
1 |
A' |
3209 |
3058 |
0.953 |
238 |
1841 |
|
|
2 |
A' |
3163 |
2995 |
0.947 |
238 |
1842 |
|
|
3 |
A' |
3143 |
2963 |
0.943 |
238 |
1843 |
|
|
4 |
A' |
3043 |
2938 |
0.966 |
238 |
1844 |
|
|
5 |
A' |
2954 |
2805 |
0.950 |
238 |
1845 |
|
|
6 |
A' |
1738 |
1720 |
0.990 |
238 |
1846 |
|
|
7 |
A' |
1708 |
1649 |
0.966 |
238 |
1847 |
|
|
8 |
A' |
1525 |
1455 |
0.954 |
238 |
1848 |
|
|
9 |
A' |
1459 |
1391 |
0.953 |
238 |
1849 |
|
|
10 |
A' |
1439 |
1375 |
0.955 |
238 |
1850 |
|
|
11 |
A' |
1359 |
1304 |
0.959 |
238 |
1851 |
|
|
12 |
A' |
1318 |
1253 |
0.951 |
238 |
1852 |
|
|
13 |
A' |
1201 |
1147 |
0.955 |
238 |
1853 |
|
|
14 |
A' |
1129 |
1074 |
0.951 |
238 |
1854 |
|
|
15 |
A' |
975 |
973 |
0.998 |
238 |
1855 |
|
|
16 |
A' |
547 |
539 |
0.986 |
238 |
1856 |
|
|
17 |
A' |
472 |
464 |
0.984 |
238 |
1857 |
|
|
18 |
A' |
211 |
230 |
1.089 |
238 |
1858 |
|
|
19 |
A" |
3106 |
2980 |
0.960 |
238 |
1859 |
|
|
20 |
A" |
1520 |
1455 |
0.957 |
238 |
1860 |
|
|
21 |
A" |
1104 |
1042 |
0.944 |
238 |
1861 |
|
|
22 |
A" |
1042 |
973 |
0.934 |
238 |
1862 |
|
|
23 |
A" |
1022 |
928 |
0.908 |
238 |
1863 |
|
|
24 |
A" |
823 |
780 |
0.948 |
238 |
1864 |
|
|
25 |
A" |
300 |
295 |
0.985 |
238 |
1865 |
|
|
26 |
A" |
198 |
173 |
0.872 |
238 |
1866 |
|
|
27 |
A" |
137 |
122 |
0.893 |
238 |
1867 |
CH3COOCH3 |
methyl acetate |
1 |
A' |
3221 |
3035 |
0.942 |
239 |
1868 |
|
|
2 |
A' |
3208 |
3031 |
0.945 |
239 |
1869 |
|
|
3 |
A' |
3086 |
2966 |
0.961 |
239 |
1870 |
|
|
4 |
A' |
3082 |
2964 |
0.962 |
239 |
1871 |
|
|
5 |
A' |
1754 |
1771 |
1.010 |
239 |
1872 |
|
|
6 |
A' |
1535 |
1460 |
0.951 |
239 |
1873 |
|
|
7 |
A' |
1511 |
1440 |
0.953 |
239 |
1874 |
|
|
8 |
A' |
1491 |
1430 |
0.959 |
239 |
1875 |
|
|
9 |
A' |
1443 |
1375 |
0.953 |
239 |
1876 |
|
|
10 |
A' |
1290 |
1248 |
0.968 |
239 |
1877 |
|
|
11 |
A' |
1205 |
1159 |
0.962 |
239 |
1878 |
|
|
12 |
A' |
1073 |
1060 |
0.988 |
239 |
1879 |
|
|
13 |
A' |
996 |
980 |
0.984 |
239 |
1880 |
|
|
14 |
A' |
833 |
844 |
1.013 |
239 |
1881 |
|
|
15 |
A' |
644 |
639 |
0.992 |
239 |
1882 |
|
|
16 |
A' |
418 |
429 |
1.025 |
239 |
1883 |
|
|
17 |
A' |
268 |
303 |
1.131 |
239 |
1884 |
|
|
18 |
A" |
3178 |
3005 |
0.946 |
239 |
1885 |
|
|
19 |
A" |
3160 |
2994 |
0.947 |
239 |
1886 |
|
|
20 |
A" |
1521 |
1460 |
0.960 |
239 |
1887 |
|
|
21 |
A" |
1516 |
1430 |
0.943 |
239 |
1888 |
|
|
22 |
A" |
1168 |
1187 |
1.016 |
239 |
1889 |
|
|
23 |
A" |
1094 |
1036 |
0.947 |
239 |
1890 |
|
|
24 |
A" |
597 |
607 |
1.018 |
239 |
1891 |
|
|
25 |
A" |
182 |
187 |
1.029 |
239 |
1892 |
|
|
26 |
A" |
92 |
136 |
1.472 |
239 |
1893 |
|
|
27 |
A" |
51 |
110 |
2.178 |
239 |
1894 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
1 |
A |
3237 |
3022 |
0.933 |
240 |
1895 |
|
|
2 |
A |
3180 |
3004 |
0.945 |
240 |
1896 |
|
|
3 |
A |
3166 |
2991 |
0.945 |
240 |
1897 |
|
|
4 |
A |
3154 |
2970 |
0.942 |
240 |
1898 |
|
|
5 |
A |
3150 |
2949 |
0.936 |
240 |
1899 |
|
|
6 |
A |
3071 |
2908 |
0.947 |
240 |
1900 |
|
|
7 |
A |
1538 |
1462 |
0.950 |
240 |
1901 |
|
|
8 |
A |
1530 |
1459 |
0.954 |
240 |
1902 |
|
|
9 |
A |
1516 |
1446 |
0.954 |
240 |
1903 |
|
|
10 |
A |
1461 |
1391 |
0.952 |
240 |
1904 |
|
|
11 |
A |
1412 |
1347 |
0.954 |
240 |
1905 |
|
|
12 |
A |
1328 |
1286 |
0.969 |
240 |
1906 |
|
|
13 |
A |
1282 |
1238 |
0.966 |
240 |
1907 |
|
|
14 |
A |
1233 |
1181 |
0.958 |
240 |
1908 |
|
|
15 |
A |
1184 |
1120 |
0.946 |
240 |
1909 |
|
|
16 |
A |
1102 |
1076 |
0.977 |
240 |
1910 |
|
|
17 |
A |
1059 |
1023 |
0.966 |
240 |
1911 |
|
|
18 |
A |
943 |
890 |
0.944 |
240 |
1912 |
|
|
19 |
A |
890 |
850 |
0.955 |
240 |
1913 |
|
|
20 |
A |
695 |
750 |
1.079 |
240 |
1914 |
|
|
21 |
A |
628 |
685 |
1.091 |
240 |
1915 |
|
|
22 |
A |
417 |
417 |
0.999 |
240 |
1916 |
|
|
23 |
A |
341 |
358 |
1.049 |
240 |
1917 |
|
|
24 |
A |
269 |
285 |
1.059 |
240 |
1918 |
|
|
25 |
A |
250 |
250 |
0.999 |
240 |
1919 |
|
|
26 |
A |
198 |
203 |
1.026 |
240 |
1920 |
|
|
27 |
A |
109 |
108 |
0.989 |
240 |
1921 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
1 |
A1 |
3170 |
2989 |
0.943 |
241 |
1922 |
|
|
2 |
A1 |
3149 |
2941 |
0.934 |
241 |
1923 |
|
|
3 |
A1 |
3037 |
2911 |
0.958 |
241 |
1924 |
|
|
4 |
A1 |
1748 |
1661 |
0.950 |
241 |
1925 |
|
|
5 |
A1 |
1543 |
1470 |
0.953 |
241 |
1926 |
|
|
6 |
A1 |
1483 |
1416 |
0.955 |
241 |
1927 |
|
|
7 |
A1 |
1460 |
1366 |
0.936 |
241 |
1928 |
|
|
8 |
A1 |
1112 |
1064 |
0.957 |
241 |
1929 |
|
|
9 |
A1 |
831 |
801 |
0.964 |
241 |
1930 |
|
|
10 |
A1 |
385 |
383 |
0.995 |
241 |
1931 |
|
|
11 |
A2 |
3095 |
2970 |
0.960 |
241 |
1932 |
|
|
12 |
A2 |
1515 |
1459 |
0.963 |
241 |
1933 |
|
|
13 |
A2 |
1050 |
1076 |
1.025 |
241 |
1934 |
|
|
14 |
A2 |
714 |
|
|
241 |
1935 |
|
|
15 |
A2 |
166 |
193 |
1.163 |
241 |
1936 |
|
|
16 |
B1 |
3098 |
2945 |
0.951 |
241 |
1937 |
|
|
17 |
B1 |
1531 |
1444 |
0.943 |
241 |
1938 |
|
|
18 |
B1 |
1143 |
1079 |
0.944 |
241 |
1939 |
|
|
19 |
B1 |
954 |
890 |
0.933 |
241 |
1940 |
|
|
20 |
B1 |
446 |
429 |
0.962 |
241 |
1941 |
|
|
21 |
B1 |
202 |
196 |
0.969 |
241 |
1942 |
|
|
22 |
B2 |
3258 |
3086 |
0.947 |
241 |
1943 |
|
|
23 |
B2 |
3146 |
2980 |
0.947 |
241 |
1944 |
|
|
24 |
B2 |
3032 |
2893 |
0.954 |
241 |
1945 |
|
|
25 |
B2 |
1526 |
1458 |
0.955 |
241 |
1946 |
|
|
26 |
B2 |
1450 |
1381 |
0.952 |
241 |
1947 |
|
|
27 |
B2 |
1333 |
1282 |
0.962 |
241 |
1948 |
|
|
28 |
B2 |
1009 |
1043 |
1.033 |
241 |
1949 |
|
|
29 |
B2 |
991 |
974 |
0.983 |
241 |
1950 |
|
|
30 |
B2 |
444 |
430 |
0.968 |
241 |
1951 |
C6H6 |
Benzene |
1 |
A1g |
3240 |
3062 |
0.945 |
242 |
1952 |
|
|
2 |
A1g |
1029 |
992 |
0.964 |
242 |
1953 |
|
|
3 |
A2g |
1417 |
1326 |
0.936 |
242 |
1954 |
|
|
4 |
A2u |
705 |
673 |
0.954 |
242 |
1955 |
|
|
5 |
B1u |
3197 |
3068 |
0.960 |
242 |
1956 |
|
|
6 |
B1u |
1047 |
1010 |
0.965 |
242 |
1957 |
|
|
7 |
B2g |
1050 |
995 |
0.948 |
242 |
1958 |
|
|
8 |
B2g |
739 |
703 |
0.951 |
242 |
1959 |
|
|
9 |
B2u |
1389 |
1310 |
0.943 |
242 |
1960 |
|
|
10 |
B2u |
1217 |
1150 |
0.945 |
242 |
1961 |
|
|
11 |
E1g |
886 |
849 |
0.958 |
242 |
1962 |
|
|
12 |
E1u |
3225 |
3063 |
0.950 |
242 |
1963 |
|
|
13 |
E1u |
1542 |
1486 |
0.964 |
242 |
1964 |
|
|
14 |
E1u |
1083 |
1038 |
0.959 |
242 |
1965 |
|
|
15 |
E2g |
3207 |
3047 |
0.950 |
242 |
1966 |
|
|
16 |
E2g |
1666 |
1596 |
0.958 |
242 |
1967 |
|
|
17 |
E2g |
1233 |
1178 |
0.955 |
242 |
1968 |
|
|
18 |
E2g |
637 |
606 |
0.951 |
242 |
1969 |
|
|
19 |
E2u |
1007 |
975 |
0.969 |
242 |
1970 |
|
|
20 |
E2u |
420 |
410 |
0.977 |
242 |
1971 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
1 |
A |
3271 |
3088 |
0.944 |
243 |
1972 |
|
|
2 |
A |
3193 |
3017 |
0.945 |
243 |
1973 |
|
|
3 |
A |
3176 |
3011 |
0.948 |
243 |
1974 |
|
|
4 |
A |
3174 |
2990 |
0.942 |
243 |
1975 |
|
|
5 |
A |
3152 |
2974 |
0.944 |
243 |
1976 |
|
|
6 |
A |
3140 |
2967 |
0.945 |
243 |
1977 |
|
|
7 |
A |
3061 |
2927 |
0.956 |
243 |
1978 |
|
|
8 |
A |
1727 |
1645 |
0.953 |
243 |
1979 |
|
|
9 |
A |
1535 |
1452 |
0.946 |
243 |
1980 |
|
|
10 |
A |
1526 |
1447 |
0.948 |
243 |
1981 |
|
|
11 |
A |
1497 |
1424 |
0.951 |
243 |
1982 |
|
|
12 |
A |
1457 |
1375 |
0.944 |
243 |
1983 |
|
|
13 |
A |
1367 |
1297 |
0.949 |
243 |
1984 |
|
|
14 |
A |
1351 |
1283 |
0.950 |
243 |
1985 |
|
|
15 |
A |
1271 |
1233 |
0.970 |
243 |
1986 |
|
|
16 |
A |
1225 |
1174 |
0.958 |
243 |
1987 |
|
|
17 |
A |
1137 |
1090 |
0.959 |
243 |
1988 |
|
|
18 |
A |
1069 |
1025 |
0.959 |
243 |
1989 |
|
|
19 |
A |
1045 |
988 |
0.945 |
243 |
1990 |
|
|
20 |
A |
1014 |
966 |
0.953 |
243 |
1991 |
|
|
21 |
A |
996 |
931 |
0.934 |
243 |
1992 |
|
|
22 |
A |
891 |
864 |
0.970 |
243 |
1993 |
|
|
23 |
A |
721 |
708 |
0.982 |
243 |
1994 |
|
|
24 |
A |
597 |
625 |
1.048 |
243 |
1995 |
|
|
25 |
A |
448 |
456 |
1.019 |
243 |
1996 |
|
|
26 |
A |
321 |
319 |
0.994 |
243 |
1997 |
|
|
27 |
A |
303 |
305 |
1.006 |
243 |
1998 |
|
|
28 |
A |
275 |
283 |
1.030 |
243 |
1999 |
|
|
29 |
A |
251 |
245 |
0.976 |
243 |
2000 |
|
|
30 |
A |
102 |
92 |
0.902 |
243 |
2001 |
C5H8 |
1,3-Butadiene, 2-methyl- |
1 |
A' |
3273 |
3095 |
0.946 |
244 |
2002 |
|
|
2 |
A' |
3267 |
3095 |
0.947 |
244 |
2003 |
|
|
3 |
A' |
3187 |
3000 |
0.941 |
244 |
2004 |
|
|
4 |
A' |
3176 |
3000 |
0.945 |
244 |
2005 |
|
|
5 |
A' |
3167 |
3000 |
0.947 |
244 |
2006 |
|
|
6 |
A' |
3154 |
2984 |
0.946 |
244 |
2007 |
|
|
7 |
A' |
3047 |
2904 |
0.953 |
244 |
2008 |
|
|
8 |
A' |
1729 |
1638 |
0.947 |
244 |
2009 |
|
|
9 |
A' |
1687 |
1607 |
0.953 |
244 |
2010 |
|
|
10 |
A' |
1543 |
1464 |
0.949 |
244 |
2011 |
|
|
11 |
A' |
1499 |
1420 |
0.947 |
244 |
2012 |
|
|
12 |
A' |
1469 |
1389 |
0.946 |
244 |
2013 |
|
|
13 |
A' |
1455 |
1363 |
0.937 |
244 |
2014 |
|
|
14 |
A' |
1369 |
1313 |
0.959 |
244 |
2015 |
|
|
15 |
A' |
1357 |
1303 |
0.960 |
244 |
2016 |
|
|
16 |
A' |
1119 |
1072 |
0.958 |
244 |
2017 |
|
|
17 |
A' |
1041 |
1012 |
0.972 |
244 |
2018 |
|
|
18 |
A' |
986 |
953 |
0.967 |
244 |
2019 |
|
|
19 |
A' |
807 |
770 |
0.954 |
244 |
2020 |
|
|
20 |
A' |
548 |
530 |
0.968 |
244 |
2021 |
|
|
21 |
A' |
433 |
396 |
0.914 |
244 |
2022 |
|
|
22 |
A' |
280 |
196 |
0.701 |
244 |
2023 |
|
|
23 |
A" |
3114 |
2949 |
0.947 |
244 |
2024 |
|
|
24 |
A" |
1525 |
1451 |
0.951 |
244 |
2025 |
|
|
25 |
A" |
1105 |
1034 |
0.936 |
244 |
2026 |
|
|
26 |
A" |
1049 |
991 |
0.945 |
244 |
2027 |
|
|
27 |
A" |
968 |
907 |
0.937 |
244 |
2028 |
|
|
28 |
A" |
958 |
907 |
0.947 |
244 |
2029 |
|
|
29 |
A" |
795 |
757 |
0.952 |
244 |
2030 |
|
|
30 |
A" |
652 |
615 |
0.943 |
244 |
2031 |
|
|
31 |
A" |
412 |
290 |
0.704 |
244 |
2032 |
|
|
32 |
A" |
197 |
153 |
0.778 |
244 |
2033 |
C5H8 |
Cyclopentene |
1 |
A' |
3245 |
3066 |
0.945 |
245 |
2034 |
|
|
2 |
A' |
3134 |
2958 |
0.944 |
245 |
2035 |
|
|
3 |
A' |
3090 |
2916 |
0.944 |
245 |
2036 |
|
|
4 |
A' |
3070 |
2902 |
0.945 |
245 |
2037 |
|
|
5 |
A' |
3030 |
2852 |
0.941 |
245 |
2038 |
|
|
6 |
A' |
1707 |
1616 |
0.947 |
245 |
2039 |
|
|
7 |
A' |
1548 |
1467 |
0.948 |
245 |
2040 |
|
|
8 |
A' |
1527 |
1449 |
0.949 |
245 |
2041 |
|
|
9 |
A' |
1351 |
1302 |
0.964 |
245 |
2042 |
|
|
10 |
A' |
1254 |
1284 |
1.024 |
245 |
2043 |
|
|
11 |
A' |
1159 |
1213 |
1.046 |
245 |
2044 |
|
|
12 |
A' |
1097 |
1048 |
0.955 |
245 |
2045 |
|
|
13 |
A' |
1001 |
964 |
0.963 |
245 |
2046 |
|
|
14 |
A' |
920 |
962 |
1.045 |
245 |
2047 |
|
|
15 |
A' |
836 |
904 |
1.081 |
245 |
2048 |
|
|
16 |
A' |
735 |
692 |
0.942 |
245 |
2049 |
|
|
17 |
A' |
643 |
603 |
0.938 |
245 |
2050 |
|
|
18 |
A' |
123 |
254 |
2.059 |
245 |
2051 |
|
|
19 |
A" |
3215 |
3039 |
0.945 |
245 |
2052 |
|
|
20 |
A" |
3082 |
2967 |
0.963 |
245 |
2053 |
|
|
21 |
A" |
3030 |
2927 |
0.966 |
245 |
2054 |
|
|
22 |
A" |
1532 |
1467 |
0.958 |
245 |
2055 |
|
|
23 |
A" |
1405 |
1432 |
1.019 |
245 |
2056 |
|
|
24 |
A" |
1354 |
1356 |
1.001 |
245 |
2057 |
|
|
25 |
A" |
1333 |
1302 |
0.977 |
245 |
2058 |
|
|
26 |
A" |
1249 |
1297 |
1.039 |
245 |
2059 |
|
|
27 |
A" |
1182 |
1207 |
1.021 |
245 |
2060 |
|
|
28 |
A" |
1073 |
1113 |
1.037 |
245 |
2061 |
|
|
29 |
A" |
998 |
1082 |
1.084 |
245 |
2062 |
|
|
30 |
A" |
942 |
937 |
0.994 |
245 |
2063 |
|
|
31 |
A" |
917 |
800 |
0.873 |
245 |
2064 |
|
|
32 |
A" |
800 |
702 |
0.877 |
245 |
2065 |
|
|
33 |
A" |
394 |
387 |
0.982 |
245 |
2066 |
C5H8 |
1,4-Pentadiene |
1 |
A |
3260 |
3080 |
0.945 |
246 |
2067 |
|
|
2 |
A |
3175 |
3012 |
0.949 |
246 |
2068 |
|
|
3 |
A |
3162 |
3012 |
0.952 |
246 |
2069 |
|
|
4 |
A |
3029 |
2900 |
0.957 |
246 |
2070 |
|
|
5 |
A |
1738 |
1644 |
0.946 |
246 |
2071 |
|
|
6 |
A |
1516 |
1433 |
0.945 |
246 |
2072 |
|
|
7 |
A |
1489 |
1413 |
0.949 |
246 |
2073 |
|
|
8 |
A |
1351 |
1295 |
0.959 |
246 |
2074 |
|
|
9 |
A |
1290 |
1263 |
0.979 |
246 |
2075 |
|
|
10 |
A |
1116 |
1120 |
1.004 |
246 |
2076 |
|
|
11 |
A |
1049 |
995 |
0.948 |
246 |
2077 |
|
|
12 |
A |
982 |
918 |
0.935 |
246 |
2078 |
|
|
13 |
A |
930 |
876 |
0.942 |
246 |
2079 |
|
|
14 |
A |
690 |
562 |
0.814 |
246 |
2080 |
|
|
15 |
A |
381 |
421 |
1.104 |
246 |
2081 |
|
|
16 |
A |
303 |
137 |
0.452 |
246 |
2082 |
|
|
17 |
A |
88 |
102 |
1.160 |
246 |
2083 |
C5H8 |
1,2-Butadiene, 3-methyl- |
1 |
A1 |
3162 |
2987 |
0.945 |
247 |
2084 |
|
|
2 |
A1 |
3147 |
2941 |
0.934 |
247 |
2085 |
|
|
3 |
A1 |
3039 |
2916 |
0.959 |
247 |
2086 |
|
|
4 |
A1 |
2096 |
1996 |
0.952 |
247 |
2087 |
|
|
5 |
A1 |
1551 |
1470 |
0.948 |
247 |
2088 |
|
|
6 |
A1 |
1512 |
1438 |
0.951 |
247 |
2089 |
|
|
7 |
A1 |
1456 |
1369 |
0.940 |
247 |
2090 |
|
|
8 |
A1 |
1350 |
1286 |
0.953 |
247 |
2091 |
|
|
9 |
A1 |
1050 |
973 |
0.927 |
247 |
2092 |
|
|
10 |
A1 |
748 |
726 |
0.970 |
247 |
2093 |
|
|
11 |
A1 |
350 |
349 |
0.998 |
247 |
2094 |
|
|
12 |
A2 |
3100 |
2941 |
0.949 |
247 |
2095 |
|
|
13 |
A2 |
1519 |
1470 |
0.968 |
247 |
2096 |
|
|
14 |
A2 |
1032 |
985 |
0.954 |
247 |
2097 |
|
|
15 |
A2 |
623 |
617 |
0.990 |
247 |
2098 |
|
|
17 |
B1 |
3223 |
3051 |
0.947 |
247 |
2099 |
|
|
18 |
B1 |
3102 |
2941 |
0.948 |
247 |
2100 |
|
|
19 |
B1 |
1533 |
1470 |
0.959 |
247 |
2101 |
|
|
20 |
B1 |
1132 |
1068 |
0.943 |
247 |
2102 |
|
|
21 |
B1 |
1061 |
1004 |
0.946 |
247 |
2103 |
|
|
22 |
B1 |
476 |
443 |
0.932 |
247 |
2104 |
|
|
23 |
B1 |
264 |
187 |
0.708 |
247 |
2105 |
|
|
25 |
B2 |
3160 |
2941 |
0.931 |
247 |
2106 |
|
|
26 |
B2 |
3035 |
2916 |
0.961 |
247 |
2107 |
|
|
27 |
B2 |
1525 |
1470 |
0.964 |
247 |
2108 |
|
|
28 |
B2 |
1442 |
1369 |
0.949 |
247 |
2109 |
|
|
29 |
B2 |
1236 |
1191 |
0.964 |
247 |
2110 |
|
|
30 |
B2 |
996 |
968 |
0.972 |
247 |
2111 |
|
|
31 |
B2 |
927 |
848 |
0.915 |
247 |
2112 |
|
|
32 |
B2 |
615 |
554 |
0.900 |
247 |
2113 |
|
|
33 |
B2 |
187 |
187 |
1.001 |
247 |
2114 |
C5H8 |
Spiropentane |
1 |
A1 |
3159 |
3000 |
0.950 |
248 |
2115 |
|
|
2 |
A1 |
1529 |
1423 |
0.931 |
248 |
2116 |
|
|
3 |
A1 |
1119 |
1160 |
1.037 |
248 |
2117 |
|
|
4 |
A1 |
1082 |
1037 |
0.959 |
248 |
2118 |
|
|
5 |
A1 |
613 |
588 |
0.959 |
248 |
2119 |
|
|
6 |
A2 |
3236 |
3070 |
0.949 |
248 |
2120 |
|
|
7 |
A2 |
1193 |
1174 |
0.984 |
248 |
2121 |
|
|
8 |
A2 |
871 |
919 |
1.055 |
248 |
2122 |
|
|
9 |
B1 |
3236 |
3066 |
0.948 |
248 |
2123 |
|
|
10 |
B1 |
1205 |
1166 |
0.967 |
248 |
2124 |
|
|
11 |
B1 |
1048 |
888 |
0.847 |
248 |
2125 |
|
|
12 |
B1 |
300 |
300 |
1.001 |
248 |
2126 |
|
|
13 |
B2 |
3159 |
3000 |
0.950 |
248 |
2127 |
|
|
14 |
B2 |
1605 |
1521 |
0.948 |
248 |
2128 |
|
|
15 |
B2 |
1481 |
1415 |
0.955 |
248 |
2129 |
|
|
16 |
B2 |
1063 |
990 |
0.931 |
248 |
2130 |
|
|
17 |
B2 |
920 |
872 |
0.948 |
248 |
2131 |
|
|
18 |
E |
3251 |
3067 |
0.943 |
248 |
2132 |
|
|
19 |
E |
3153 |
2985 |
0.947 |
248 |
2133 |
|
|
20 |
E |
1506 |
1431 |
0.950 |
248 |
2134 |
|
|
21 |
E |
1212 |
1150 |
0.949 |
248 |
2135 |
|
|
22 |
E |
1130 |
1049 |
0.928 |
248 |
2136 |
|
|
23 |
E |
904 |
870 |
0.962 |
248 |
2137 |
|
|
24 |
E |
813 |
780 |
0.959 |
248 |
2138 |
|
|
25 |
E |
320 |
308 |
0.963 |
248 |
2139 |
N(CH3)3 |
Trimethylamine |
1 |
A1 |
3090 |
2953 |
0.956 |
249 |
2140 |
|
|
2 |
A1 |
2939 |
2775 |
0.944 |
249 |
2141 |
|
|
3 |
A1 |
1543 |
1459 |
0.946 |
249 |
2142 |
|
|
4 |
A1 |
1516 |
1444 |
0.953 |
249 |
2143 |
|
|
5 |
A1 |
1215 |
1186 |
0.976 |
249 |
2144 |
|
|
6 |
A1 |
826 |
828 |
1.003 |
249 |
2145 |
|
|
7 |
A1 |
308 |
367 |
1.190 |
249 |
2146 |
|
|
8 |
A2 |
3140 |
2977 |
0.948 |
249 |
2147 |
|
|
9 |
A2 |
1533 |
1453 |
0.948 |
249 |
2148 |
|
|
10 |
A2 |
1090 |
1046 |
0.960 |
249 |
2149 |
|
|
11 |
A2 |
258 |
255 |
0.988 |
249 |
2150 |
|
|
12 |
E |
3145 |
2981 |
0.948 |
249 |
2151 |
|
|
13 |
E |
3087 |
2953 |
0.957 |
249 |
2152 |
|
|
14 |
E |
2920 |
2776 |
0.951 |
249 |
2153 |
|
|
15 |
E |
1553 |
1471 |
0.947 |
249 |
2154 |
|
|
16 |
E |
1521 |
1444 |
0.949 |
249 |
2155 |
|
|
17 |
E |
1481 |
1409 |
0.951 |
249 |
2156 |
|
|
18 |
E |
1334 |
1275 |
0.956 |
249 |
2157 |
|
|
19 |
E |
1142 |
1103 |
0.966 |
249 |
2158 |
|
|
20 |
E |
1081 |
1043 |
0.965 |
249 |
2159 |
|
|
21 |
E |
425 |
424 |
0.998 |
249 |
2160 |
|
|
22 |
E |
248 |
281 |
1.133 |
249 |
2161 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
1 |
A' |
3149 |
2974 |
0.944 |
250 |
2162 |
|
|
2 |
A' |
3139 |
2953 |
0.941 |
250 |
2163 |
|
|
3 |
A' |
3088 |
2940 |
0.952 |
250 |
2164 |
|
|
4 |
A' |
3052 |
2876 |
0.942 |
250 |
2165 |
|
|
5 |
A' |
2933 |
2757 |
0.940 |
250 |
2166 |
|
|
6 |
A' |
1746 |
1752 |
1.003 |
250 |
2167 |
|
|
7 |
A' |
1551 |
1474 |
0.950 |
250 |
2168 |
|
|
8 |
A' |
1545 |
1449 |
0.938 |
250 |
2169 |
|
|
9 |
A' |
1464 |
1399 |
0.955 |
250 |
2170 |
|
|
10 |
A' |
1433 |
1381 |
0.964 |
250 |
2171 |
|
|
11 |
A' |
1349 |
1329 |
0.985 |
250 |
2172 |
|
|
12 |
A' |
1213 |
1182 |
0.975 |
250 |
2173 |
|
|
13 |
A' |
1209 |
1138 |
0.941 |
250 |
2174 |
|
|
14 |
A' |
942 |
922 |
0.978 |
250 |
2175 |
|
|
15 |
A' |
866 |
800 |
0.924 |
250 |
2176 |
|
|
16 |
A' |
550 |
632 |
1.150 |
250 |
2177 |
|
|
17 |
A' |
358 |
395 |
1.103 |
250 |
2178 |
|
|
18 |
A' |
339 |
272 |
0.802 |
250 |
2179 |
|
|
19 |
A' |
230 |
212 |
0.921 |
250 |
2180 |
|
|
20 |
A" |
3148 |
2990 |
0.950 |
250 |
2181 |
|
|
21 |
A" |
3133 |
2982 |
0.952 |
250 |
2182 |
|
|
22 |
A" |
3050 |
2885 |
0.946 |
250 |
2183 |
|
|
23 |
A" |
1534 |
1467 |
0.956 |
250 |
2184 |
|
|
24 |
A" |
1530 |
1452 |
0.949 |
250 |
2185 |
|
|
25 |
A" |
1444 |
1437 |
0.995 |
250 |
2186 |
|
|
26 |
A" |
1372 |
1290 |
0.941 |
250 |
2187 |
|
|
27 |
A" |
1151 |
1109 |
0.964 |
250 |
2188 |
|
|
28 |
A" |
1007 |
965 |
0.958 |
250 |
2189 |
|
|
29 |
A" |
978 |
942 |
0.963 |
250 |
2190 |
|
|
30 |
A" |
961 |
933 |
0.971 |
250 |
2191 |
|
|
31 |
A" |
333 |
351 |
1.055 |
250 |
2192 |
|
|
32 |
A" |
214 |
227 |
1.062 |
250 |
2193 |
|
|
33 |
A" |
59 |
75 |
1.281 |
250 |
2194 |
CH3CH2CH2CH3 |
Butane |
|
Ag |
433 |
1442 |
3.330 |
251 |
2195 |
|
|
|
Ag |
859 |
1151 |
1.340 |
251 |
2196 |
|
|
|
Au |
1318 |
1257 |
0.954 |
251 |
2197 |
|
|
|
Bg |
1541 |
1300 |
0.843 |
251 |
2198 |
|
|
|
Bu |
3037 |
2870 |
0.945 |
251 |
2199 |
|
|
|
Bu |
3044 |
2853 |
0.937 |
251 |
2200 |
|
|
|
Bu |
3132 |
271 |
0.087 |
251 |
2201 |
C4H9N |
Pyrrolidine |
1 |
A' |
3593 |
3356 |
0.934 |
252 |
2202 |
|
|
2 |
A' |
3150 |
2975 |
0.944 |
252 |
2203 |
|
|
3 |
A' |
3110 |
2927 |
0.941 |
252 |
2204 |
|
|
4 |
A' |
3091 |
2889 |
0.935 |
252 |
2205 |
|
|
5 |
A' |
2933 |
2824 |
0.963 |
252 |
2206 |
|
|
6 |
A' |
1571 |
1484 |
0.945 |
252 |
2207 |
|
|
7 |
A' |
1547 |
1447 |
0.935 |
252 |
2208 |
|
|
8 |
A' |
1419 |
1292 |
0.911 |
252 |
2209 |
|
|
9 |
A' |
1340 |
1273 |
0.950 |
252 |
2210 |
|
|
10 |
A' |
1258 |
1228 |
0.976 |
252 |
2211 |
|
|
11 |
A' |
1244 |
1181 |
0.949 |
252 |
2212 |
|
|
12 |
A' |
1098 |
974 |
0.887 |
252 |
2213 |
|
|
13 |
A' |
1022 |
920 |
0.901 |
252 |
2214 |
|
|
14 |
A' |
964 |
901 |
0.934 |
252 |
2215 |
|
|
15 |
A' |
915 |
871 |
0.952 |
252 |
2216 |
|
|
16 |
A' |
842 |
832 |
0.988 |
252 |
2217 |
|
|
17 |
A' |
737 |
789 |
1.070 |
252 |
2218 |
|
|
18 |
A' |
540 |
579 |
1.071 |
252 |
2219 |
|
|
19 |
A' |
260 |
299 |
1.148 |
252 |
2220 |
|
|
20 |
A" |
3128 |
2967 |
0.949 |
252 |
2221 |
|
|
21 |
A" |
3102 |
2916 |
0.940 |
252 |
2222 |
|
|
22 |
A" |
3080 |
2879 |
0.935 |
252 |
2223 |
|
|
23 |
A" |
2924 |
2818 |
0.964 |
252 |
2224 |
|
|
24 |
A" |
1555 |
1459 |
0.938 |
252 |
2225 |
|
|
25 |
A" |
1531 |
1412 |
0.922 |
252 |
2226 |
|
|
26 |
A" |
1477 |
1341 |
0.908 |
252 |
2227 |
|
|
27 |
A" |
1364 |
1268 |
0.930 |
252 |
2228 |
|
|
28 |
A" |
1334 |
1211 |
0.908 |
252 |
2229 |
|
|
29 |
A" |
1277 |
1203 |
0.942 |
252 |
2230 |
|
|
30 |
A" |
1222 |
1171 |
0.958 |
252 |
2231 |
|
|
31 |
A" |
1166 |
1099 |
0.943 |
252 |
2232 |
|
|
32 |
A" |
1142 |
1023 |
0.896 |
252 |
2233 |
|
|
33 |
A" |
956 |
883 |
0.924 |
252 |
2234 |
|
|
34 |
A" |
897 |
848 |
0.945 |
252 |
2235 |
|
|
35 |
A" |
659 |
600 |
0.910 |
252 |
2236 |
|
|
36 |
A" |
43 |
65 |
1.498 |
252 |
2237 |
C4H9N |
Cyclobutylamine |
1 |
A' |
3554 |
3345 |
0.941 |
253 |
2238 |
|
|
2 |
A' |
3172 |
2975 |
0.938 |
253 |
2239 |
|
|
3 |
A' |
3142 |
2950 |
0.939 |
253 |
2240 |
|
|
4 |
A' |
3102 |
2918 |
0.941 |
253 |
2241 |
|
|
5 |
A' |
3084 |
2905 |
0.942 |
253 |
2242 |
|
|
6 |
A' |
2965 |
2887 |
0.974 |
253 |
2243 |
|
|
7 |
A' |
1704 |
1614 |
0.947 |
253 |
2244 |
|
|
8 |
A' |
1535 |
1467 |
0.956 |
253 |
2245 |
|
|
9 |
A' |
1516 |
1443 |
0.952 |
253 |
2246 |
|
|
10 |
A' |
1404 |
1390 |
0.990 |
253 |
2247 |
|
|
11 |
A' |
1312 |
1291 |
0.984 |
253 |
2248 |
|
|
12 |
A' |
1266 |
1237 |
0.977 |
253 |
2249 |
|
|
13 |
A' |
1193 |
1137 |
0.953 |
253 |
2250 |
|
|
14 |
A' |
1093 |
1120 |
1.025 |
253 |
2251 |
|
|
15 |
A' |
973 |
1050 |
1.079 |
253 |
2252 |
|
|
16 |
A' |
904 |
965 |
1.067 |
253 |
2253 |
|
|
17 |
A' |
853 |
788 |
0.924 |
253 |
2254 |
|
|
18 |
A' |
699 |
752 |
1.075 |
253 |
2255 |
|
|
19 |
A' |
590 |
606 |
1.027 |
253 |
2256 |
|
|
20 |
A' |
414 |
448 |
1.081 |
253 |
2257 |
|
|
21 |
A' |
150 |
174 |
1.163 |
253 |
2258 |
|
|
22 |
A" |
3675 |
3411 |
0.928 |
253 |
2259 |
|
|
23 |
A" |
3147 |
2970 |
0.944 |
253 |
2260 |
|
|
24 |
A" |
3080 |
2957 |
0.960 |
253 |
2261 |
|
|
25 |
A" |
1509 |
1452 |
0.962 |
253 |
2262 |
|
|
26 |
A" |
1355 |
1213 |
0.895 |
253 |
2263 |
|
|
27 |
A" |
1312 |
1185 |
0.903 |
253 |
2264 |
|
|
28 |
A" |
1287 |
1168 |
0.908 |
253 |
2265 |
|
|
29 |
A" |
1232 |
1036 |
0.841 |
253 |
2266 |
|
|
30 |
A" |
1183 |
|
|
253 |
2267 |
|
|
31 |
A" |
1052 |
925 |
0.880 |
253 |
2268 |
|
|
32 |
A" |
964 |
912 |
0.946 |
253 |
2269 |
|
|
33 |
A" |
928 |
883 |
0.951 |
253 |
2270 |
|
|
34 |
A" |
793 |
788 |
0.994 |
253 |
2271 |
|
|
35 |
A" |
401 |
354 |
0.884 |
253 |
2272 |
|
|
36 |
A" |
245 |
240 |
0.980 |
253 |
2273 |
C4H8O2 |
1,4-Dioxane |
1 |
Ag |
3150 |
2968 |
0.942 |
254 |
2274 |
|
|
2 |
Ag |
3031 |
2856 |
0.942 |
254 |
2275 |
|
|
3 |
Ag |
1526 |
1444 |
0.946 |
254 |
2276 |
|
|
4 |
Ag |
1424 |
1397 |
0.981 |
254 |
2277 |
|
|
5 |
Ag |
1326 |
1305 |
0.984 |
254 |
2278 |
|
|
6 |
Ag |
1156 |
1128 |
0.976 |
254 |
2279 |
|
|
7 |
Ag |
1032 |
1015 |
0.983 |
254 |
2280 |
|
|
8 |
Ag |
833 |
837 |
1.005 |
254 |
2281 |
|
|
9 |
Ag |
430 |
435 |
1.013 |
254 |
2282 |
|
|
10 |
Ag |
401 |
424 |
1.057 |
254 |
2283 |
|
|
11 |
Au |
3147 |
2970 |
0.944 |
254 |
2284 |
|
|
12 |
Au |
3026 |
2863 |
0.946 |
254 |
2285 |
|
|
13 |
Au |
1513 |
1449 |
0.957 |
254 |
2286 |
|
|
14 |
Au |
1396 |
1369 |
0.980 |
254 |
2287 |
|
|
15 |
Au |
1286 |
1256 |
0.976 |
254 |
2288 |
|
|
16 |
Au |
1129 |
1136 |
1.006 |
254 |
2289 |
|
|
17 |
Au |
1102 |
1086 |
0.985 |
254 |
2290 |
|
|
18 |
Au |
907 |
881 |
0.971 |
254 |
2291 |
|
|
19 |
Au |
240 |
288 |
1.202 |
254 |
2292 |
|
|
20 |
Bg |
3148 |
2968 |
0.943 |
254 |
2293 |
|
|
21 |
Bg |
3036 |
2856 |
0.941 |
254 |
2294 |
|
|
22 |
Bg |
1516 |
1459 |
0.963 |
254 |
2295 |
|
|
23 |
Bg |
1382 |
1335 |
0.966 |
254 |
2296 |
|
|
24 |
Bg |
1236 |
1217 |
0.985 |
254 |
2297 |
|
|
25 |
Bg |
1104 |
1110 |
1.005 |
254 |
2298 |
|
|
26 |
Bg |
868 |
853 |
0.983 |
254 |
2299 |
|
|
27 |
Bg |
479 |
490 |
1.024 |
254 |
2300 |
|
|
28 |
Bu |
3150 |
2970 |
0.943 |
254 |
2301 |
|
|
29 |
Bu |
3040 |
2863 |
0.942 |
254 |
2302 |
|
|
30 |
Bu |
1524 |
1457 |
0.956 |
254 |
2303 |
|
|
31 |
Bu |
1428 |
1378 |
0.965 |
254 |
2304 |
|
|
32 |
Bu |
1313 |
1291 |
0.983 |
254 |
2305 |
|
|
33 |
Bu |
1070 |
1052 |
0.983 |
254 |
2306 |
|
|
34 |
Bu |
839 |
889 |
1.059 |
254 |
2307 |
|
|
35 |
Bu |
605 |
610 |
1.008 |
254 |
2308 |
|
|
36 |
Bu |
259 |
274 |
1.057 |
254 |
2309 |
C8H8 |
cubane |
1 |
A1g |
3199 |
2995 |
0.936 |
255 |
2310 |
|
|
2 |
A1g |
1027 |
1002 |
0.976 |
255 |
2311 |
|
|
3 |
A2u |
3154 |
2978 |
0.944 |
255 |
2312 |
|
|
4 |
A2u |
1028 |
839 |
0.816 |
255 |
2313 |
|
|
5 |
Eg |
1129 |
1083 |
0.960 |
255 |
2314 |
|
|
6 |
Eg |
943 |
912 |
0.967 |
255 |
2315 |
|
|
7 |
Eu |
1211 |
1151 |
0.951 |
255 |
2316 |
|
|
8 |
Eu |
624 |
617 |
0.989 |
255 |
2317 |
|
|
9 |
T1g |
1185 |
1130 |
0.954 |
255 |
2318 |
|
|
10 |
T1u |
3174 |
2978 |
0.938 |
255 |
2319 |
|
|
11 |
T1u |
1277 |
1230 |
0.963 |
255 |
2320 |
|
|
12 |
T1u |
880 |
853 |
0.969 |
255 |
2321 |
|
|
13 |
T2g |
3164 |
2970 |
0.939 |
255 |
2322 |
|
|
14 |
T2g |
1234 |
1182 |
0.957 |
255 |
2323 |
|
|
15 |
T2g |
849 |
821 |
0.967 |
255 |
2324 |
|
|
16 |
T2g |
689 |
665 |
0.965 |
255 |
2325 |
|
|
17 |
T2u |
1086 |
1036 |
0.954 |
255 |
2326 |
|
|
18 |
T2u |
863 |
829 |
0.960 |
255 |
2327 |
C5H12 |
Pentane |
1 |
A1 |
3132 |
2973 |
0.949 |
256 |
2328 |
|
|
2 |
A1 |
3046 |
2892 |
0.950 |
256 |
2329 |
|
|
3 |
A1 |
3038 |
2866 |
0.943 |
256 |
2330 |
|
|
4 |
A1 |
3021 |
2866 |
0.949 |
256 |
2331 |
|
|
5 |
A1 |
1556 |
1480 |
0.951 |
256 |
2332 |
|
|
6 |
A1 |
1540 |
1463 |
0.950 |
256 |
2333 |
|
|
7 |
A1 |
1531 |
1450 |
0.947 |
256 |
2334 |
|
|
8 |
A1 |
1455 |
1379 |
0.948 |
256 |
2335 |
|
|
9 |
A1 |
1400 |
1346 |
0.961 |
256 |
2336 |
|
|
10 |
A1 |
1189 |
1144 |
0.962 |
256 |
2337 |
|
|
11 |
A1 |
1076 |
1036 |
0.963 |
256 |
2338 |
|
|
12 |
A1 |
894 |
867 |
0.970 |
256 |
2339 |
|
|
13 |
A1 |
405 |
401 |
0.990 |
256 |
2340 |
|
|
14 |
A1 |
180 |
179 |
0.995 |
256 |
2341 |
|
|
15 |
A2 |
3127 |
2967 |
0.949 |
256 |
2342 |
|
|
16 |
A2 |
3070 |
2908 |
0.947 |
256 |
2343 |
|
|
17 |
A2 |
1542 |
1462 |
0.948 |
256 |
2344 |
|
|
18 |
A2 |
1354 |
1346 |
0.994 |
256 |
2345 |
|
|
19 |
A2 |
1296 |
1269 |
0.979 |
256 |
2346 |
|
|
20 |
A2 |
1025 |
993 |
0.969 |
256 |
2347 |
|
|
21 |
A2 |
792 |
766 |
0.967 |
256 |
2348 |
|
|
22 |
A2 |
243 |
210 |
0.864 |
256 |
2349 |
|
|
23 |
A2 |
112 |
131 |
1.172 |
256 |
2350 |
|
|
24 |
B1 |
3129 |
2965 |
0.948 |
256 |
2351 |
|
|
25 |
B1 |
3090 |
2930 |
0.948 |
256 |
2352 |
|
|
26 |
B1 |
3051 |
2930 |
0.960 |
256 |
2353 |
|
|
27 |
B1 |
1541 |
1469 |
0.953 |
256 |
2354 |
|
|
28 |
B1 |
1351 |
1303 |
0.964 |
256 |
2355 |
|
|
29 |
B1 |
1240 |
1170 |
0.944 |
256 |
2356 |
|
|
30 |
B1 |
898 |
858 |
0.956 |
256 |
2357 |
|
|
31 |
B1 |
754 |
727 |
0.964 |
256 |
2358 |
|
|
32 |
B1 |
236 |
215 |
0.912 |
256 |
2359 |
|
|
33 |
B1 |
115 |
88 |
0.767 |
256 |
2360 |
|
|
34 |
B2 |
3132 |
2965 |
0.947 |
256 |
2361 |
|
|
35 |
B2 |
3045 |
2879 |
0.946 |
256 |
2362 |
|
|
36 |
B2 |
3031 |
2866 |
0.946 |
256 |
2363 |
|
|
37 |
B2 |
1547 |
1476 |
0.954 |
256 |
2364 |
|
|
38 |
B2 |
1534 |
1456 |
0.949 |
256 |
2365 |
|
|
39 |
B2 |
1456 |
1389 |
0.954 |
256 |
2366 |
|
|
40 |
B2 |
1415 |
1379 |
0.974 |
256 |
2367 |
|
|
41 |
B2 |
1332 |
1269 |
0.953 |
256 |
2368 |
|
|
42 |
B2 |
1111 |
1073 |
0.966 |
256 |
2369 |
|
|
43 |
B2 |
1065 |
1024 |
0.961 |
256 |
2370 |
|
|
44 |
B2 |
952 |
910 |
0.956 |
256 |
2371 |
|
|
45 |
B2 |
403 |
406 |
1.008 |
256 |
2372 |
C5H12 |
Propane, 2,2-dimethyl- |
1 |
A1 |
3046 |
2909 |
0.955 |
257 |
2373 |
|
|
2 |
A1 |
1473 |
1381 |
0.938 |
257 |
2374 |
|
|
3 |
A1 |
742 |
733 |
0.988 |
257 |
2375 |
|
|
4 |
A2 |
249 |
198 |
0.796 |
257 |
2376 |
|
|
5 |
E |
3125 |
2955 |
0.945 |
257 |
2377 |
|
|
6 |
E |
1536 |
1451 |
0.945 |
257 |
2378 |
|
|
7 |
E |
1117 |
999 |
0.894 |
257 |
2379 |
|
|
8 |
E |
340 |
335 |
0.985 |
257 |
2380 |
|
|
9 |
T1 |
3123 |
2975 |
0.952 |
257 |
2381 |
|
|
10 |
T1 |
1527 |
1461 |
0.957 |
257 |
2382 |
|
|
11 |
T1 |
991 |
932 |
0.940 |
257 |
2383 |
|
|
12 |
T1 |
312 |
203 |
0.650 |
257 |
2384 |
|
|
13 |
T2 |
3130 |
2959 |
0.945 |
257 |
2385 |
|
|
14 |
T2 |
3038 |
2876 |
0.947 |
257 |
2386 |
|
|
15 |
T2 |
1561 |
1475 |
0.945 |
257 |
2387 |
|
|
16 |
T2 |
1438 |
1372 |
0.954 |
257 |
2388 |
|
|
17 |
T2 |
1309 |
1256 |
0.959 |
257 |
2389 |
|
|
18 |
T2 |
954 |
925 |
0.969 |
257 |
2390 |
|
|
19 |
T2 |
429 |
418 |
0.974 |
257 |
2391 |
C5H11N |
Piperidine |
1 |
A' |
3580 |
3341 |
0.933 |
258 |
2392 |
|
|
2 |
A' |
3112 |
2947 |
0.947 |
258 |
2393 |
|
|
3 |
A' |
3098 |
2931 |
0.946 |
258 |
2394 |
|
|
4 |
A' |
3090 |
2917 |
0.944 |
258 |
2395 |
|
|
5 |
A' |
3051 |
2892 |
0.948 |
258 |
2396 |
|
|
6 |
A' |
3029 |
2850 |
0.941 |
258 |
2397 |
|
|
7 |
A' |
2906 |
2730 |
0.939 |
258 |
2398 |
|
|
8 |
A' |
1546 |
1476 |
0.955 |
258 |
2399 |
|
|
9 |
A' |
1531 |
1452 |
0.948 |
258 |
2400 |
|
|
10 |
A' |
1527 |
1444 |
0.946 |
258 |
2401 |
|
|
11 |
A' |
1445 |
1386 |
0.959 |
258 |
2402 |
|
|
12 |
A' |
1405 |
1365 |
0.972 |
258 |
2403 |
|
|
13 |
A' |
1336 |
1346 |
1.007 |
258 |
2404 |
|
|
14 |
A' |
1314 |
1266 |
0.963 |
258 |
2405 |
|
|
15 |
A' |
1188 |
1164 |
0.980 |
258 |
2406 |
|
|
16 |
A' |
1085 |
1035 |
0.954 |
258 |
2407 |
|
|
17 |
A' |
1073 |
1006 |
0.938 |
258 |
2408 |
|
|
18 |
A' |
919 |
906 |
0.985 |
258 |
2409 |
|
|
19 |
A' |
887 |
853 |
0.962 |
258 |
2410 |
|
|
20 |
A' |
837 |
822 |
0.982 |
258 |
2411 |
|
|
21 |
A' |
671 |
743 |
1.108 |
258 |
2412 |
|
|
22 |
A' |
535 |
546 |
1.020 |
258 |
2413 |
|
|
23 |
A' |
436 |
432 |
0.992 |
258 |
2414 |
|
|
24 |
A' |
382 |
404 |
1.057 |
258 |
2415 |
|
|
25 |
A' |
238 |
246 |
1.033 |
258 |
2416 |
|
|
26 |
A" |
3105 |
2940 |
0.947 |
258 |
2417 |
|
|
27 |
A" |
3095 |
2902 |
0.938 |
258 |
2418 |
|
|
28 |
A" |
3052 |
2850 |
0.934 |
258 |
2419 |
|
|
29 |
A" |
2899 |
2803 |
0.967 |
258 |
2420 |
|
|
30 |
A" |
1534 |
1468 |
0.957 |
258 |
2421 |
|
|
31 |
A" |
1525 |
1460 |
0.958 |
258 |
2422 |
|
|
32 |
A" |
1515 |
1436 |
0.948 |
258 |
2423 |
|
|
33 |
A" |
1401 |
1332 |
0.951 |
258 |
2424 |
|
|
34 |
A" |
1396 |
1318 |
0.944 |
258 |
2425 |
|
|
35 |
A" |
1377 |
1285 |
0.933 |
258 |
2426 |
|
|
36 |
A" |
1319 |
1258 |
0.954 |
258 |
2427 |
|
|
37 |
A" |
1227 |
1191 |
0.970 |
258 |
2428 |
|
|
38 |
A" |
1201 |
1146 |
0.954 |
258 |
2429 |
|
|
39 |
A" |
1160 |
1115 |
0.962 |
258 |
2430 |
|
|
40 |
A" |
1103 |
1052 |
0.954 |
258 |
2431 |
|
|
41 |
A" |
1005 |
964 |
0.959 |
258 |
2432 |
|
|
42 |
A" |
901 |
874 |
0.970 |
258 |
2433 |
|
|
43 |
A" |
840 |
810 |
0.964 |
258 |
2434 |
|
|
44 |
A" |
458 |
445 |
0.971 |
258 |
2435 |
|
|
45 |
A" |
245 |
254 |
1.037 |
258 |
2436 |
C6H12 |
Cyclohexane |
1 |
A1g |
3086 |
2930 |
0.949 |
259 |
2437 |
|
|
2 |
A1g |
3028 |
2852 |
0.942 |
259 |
2438 |
|
|
3 |
A1g |
1547 |
1465 |
0.947 |
259 |
2439 |
|
|
4 |
A1g |
1208 |
1157 |
0.958 |
259 |
2440 |
|
|
5 |
A1g |
820 |
802 |
0.978 |
259 |
2441 |
|
|
6 |
A1g |
379 |
383 |
1.012 |
259 |
2442 |
|
|
7 |
A1u |
1388 |
1383 |
0.997 |
259 |
2443 |
|
|
8 |
A1u |
1164 |
1157 |
0.994 |
259 |
2444 |
|
|
9 |
A1u |
1126 |
1057 |
0.939 |
259 |
2445 |
|
|
10 |
A2g |
1392 |
1437 |
1.032 |
259 |
2446 |
|
|
11 |
A2g |
1101 |
1090 |
0.990 |
259 |
2447 |
|
|
12 |
A2u |
3098 |
2915 |
0.941 |
259 |
2448 |
|
|
13 |
A2u |
3030 |
2860 |
0.944 |
259 |
2449 |
|
|
14 |
A2u |
1539 |
1437 |
0.934 |
259 |
2450 |
|
|
15 |
A2u |
1065 |
1030 |
0.968 |
259 |
2451 |
|
|
16 |
A2u |
530 |
523 |
0.987 |
259 |
2452 |
|
|
17 |
Eg |
3087 |
2930 |
0.949 |
259 |
2453 |
|
|
18 |
Eg |
3029 |
2897 |
0.956 |
259 |
2454 |
|
|
19 |
Eg |
1526 |
1443 |
0.946 |
259 |
2455 |
|
|
20 |
Eg |
1397 |
1347 |
0.964 |
259 |
2456 |
|
|
21 |
Eg |
1314 |
1266 |
0.964 |
259 |
2457 |
|
|
22 |
Eg |
1073 |
1027 |
0.957 |
259 |
2458 |
|
|
23 |
Eg |
813 |
785 |
0.966 |
259 |
2459 |
|
|
24 |
Eg |
434 |
426 |
0.983 |
259 |
2460 |
|
|
25 |
Eu |
3082 |
2933 |
0.952 |
259 |
2461 |
|
|
26 |
Eu |
3026 |
2863 |
0.946 |
259 |
2462 |
|
|
27 |
Eu |
1527 |
1457 |
0.954 |
259 |
2463 |
|
|
28 |
Eu |
1415 |
1355 |
0.958 |
259 |
2464 |
|
|
29 |
Eu |
1313 |
1261 |
0.960 |
259 |
2465 |
|
|
30 |
Eu |
941 |
907 |
0.964 |
259 |
2466 |
|
|
31 |
Eu |
885 |
863 |
0.975 |
259 |
2467 |
|
|
32 |
Eu |
230 |
248 |
1.080 |
259 |
2468 |
C6H14 |
Hexane |
1 |
Ag |
3131 |
2966 |
0.947 |
260 |
2469 |
|
|
2 |
Ag |
3045 |
2877 |
0.945 |
260 |
2470 |
|
|
3 |
Ag |
3033 |
2863 |
0.944 |
260 |
2471 |
|
|
4 |
Ag |
3017 |
2852 |
0.945 |
260 |
2472 |
|
|
5 |
Ag |
1550 |
1460 |
0.942 |
260 |
2473 |
|
|
6 |
Ag |
1537 |
1460 |
0.950 |
260 |
2474 |
|
|
7 |
Ag |
1529 |
1440 |
0.942 |
260 |
2475 |
|
|
8 |
Ag |
1456 |
1397 |
0.960 |
260 |
2476 |
|
|
9 |
Ag |
1414 |
1366 |
0.966 |
260 |
2477 |
|
|
10 |
Ag |
1374 |
1305 |
0.950 |
260 |
2478 |
|
|
11 |
Ag |
1185 |
1140 |
0.962 |
260 |
2479 |
|
|
12 |
Ag |
1105 |
1065 |
0.964 |
260 |
2480 |
|
|
13 |
Ag |
1040 |
1007 |
0.968 |
260 |
2481 |
|
|
14 |
Ag |
929 |
901 |
0.970 |
260 |
2482 |
|
|
15 |
Ag |
372 |
371 |
0.997 |
260 |
2483 |
|
|
16 |
Ag |
300 |
305 |
1.016 |
260 |
2484 |
|
|
17 |
Au |
3128 |
2967 |
0.948 |
260 |
2485 |
|
|
18 |
Au |
3092 |
2936 |
0.950 |
260 |
2486 |
|
|
19 |
Au |
3059 |
2920 |
0.954 |
260 |
2487 |
|
|
20 |
Au |
1543 |
1460 |
0.946 |
260 |
2488 |
|
|
21 |
Au |
1357 |
1303 |
0.960 |
260 |
2489 |
|
|
22 |
Au |
1282 |
1222 |
0.953 |
260 |
2490 |
|
|
23 |
Au |
1045 |
1010 |
0.967 |
260 |
2491 |
|
|
24 |
Au |
835 |
824 |
0.987 |
260 |
2492 |
|
|
25 |
Au |
752 |
726 |
0.966 |
260 |
2493 |
|
|
26 |
Au |
251 |
216 |
0.862 |
260 |
2494 |
|
|
27 |
Au |
99 |
94 |
0.946 |
260 |
2495 |
|
|
28 |
Au |
71 |
61 |
0.863 |
260 |
2496 |
|
|
29 |
Bg |
3127 |
2966 |
0.948 |
260 |
2497 |
|
|
30 |
Bg |
3077 |
2908 |
0.945 |
260 |
2498 |
|
|
31 |
Bg |
3047 |
2908 |
0.955 |
260 |
2499 |
|
|
32 |
Bg |
1543 |
1460 |
0.946 |
260 |
2500 |
|
|
33 |
Bg |
1352 |
1305 |
0.965 |
260 |
2501 |
|
|
34 |
Bg |
1333 |
1283 |
0.963 |
260 |
2502 |
|
|
35 |
Bg |
1238 |
1168 |
0.943 |
260 |
2503 |
|
|
36 |
Bg |
937 |
894 |
0.954 |
260 |
2504 |
|
|
37 |
Bg |
770 |
740 |
0.961 |
260 |
2505 |
|
|
38 |
Bg |
240 |
208 |
0.866 |
260 |
2506 |
|
|
39 |
Bg |
145 |
125 |
0.862 |
260 |
2507 |
|
|
40 |
Bu |
3131 |
2967 |
0.948 |
260 |
2508 |
|
|
41 |
Bu |
3044 |
2884 |
0.947 |
260 |
2509 |
|
|
42 |
Bu |
3037 |
2867 |
0.944 |
260 |
2510 |
|
|
43 |
Bu |
3021 |
2851 |
0.944 |
260 |
2511 |
|
|
44 |
Bu |
1556 |
1476 |
0.949 |
260 |
2512 |
|
|
45 |
Bu |
1542 |
1465 |
0.950 |
260 |
2513 |
|
|
46 |
Bu |
1530 |
1452 |
0.949 |
260 |
2514 |
|
|
47 |
Bu |
1454 |
1387 |
0.954 |
260 |
2515 |
|
|
48 |
Bu |
1412 |
1375 |
0.974 |
260 |
2516 |
|
|
49 |
Bu |
1312 |
1249 |
0.952 |
260 |
2517 |
|
|
50 |
Bu |
1110 |
1061 |
0.956 |
260 |
2518 |
|
|
51 |
Bu |
1081 |
1035 |
0.957 |
260 |
2519 |
|
|
52 |
Bu |
911 |
888 |
0.975 |
260 |
2520 |
|
|
53 |
Bu |
473 |
470 |
0.993 |
260 |
2521 |
|
|
54 |
Bu |
133 |
139 |
1.041 |
260 |
2522 |