Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Vibrations > Scale Factors > Scale factor uncertainty |
Scale factor | How many | Source | |
---|---|---|---|
Molecules | Vibrations | ||
0.955 ± 0.019 | 140 | 1222 | cccbdb |
Formula | Name | Mode | Symmetry | Frequency | Count | |||
---|---|---|---|---|---|---|---|---|
Theory | Experiment | ratio | molecules | vibrations | ||||
H2 | Hydrogen diatomic | 1 | Σg | 4466 | 4161 | 0.932 | 1 | 1 |
LiH | Lithium Hydride | 1 | Σ | 1428 | 1360 | 0.952 | 2 | 2 |
Li2 | Lithium diatomic | 1 | Σg | 345 | 346 | 1.005 | 3 | 3 |
NaH | sodium hydride | 1 | Σ | 1202 | 1133 | 0.943 | 4 | 4 |
Na2 | Sodium diatomic | 1 | Σg | 173 | 158 | 0.911 | 5 | 5 |
BeH | beryllium monohydride | 1 | Σ | 2072 | 1987 | 0.959 | 6 | 6 |
BH | Boron monohydride | 1 | Σ | 2465 | 2269 | 0.921 | 7 | 7 |
C2 | Carbon diatomic | 1 | Σg | 1907 | 1827 | 0.958 | 8 | 8 |
CN | Cyano radical | 1 | Σ | 2242 | 2042 | 0.911 | 9 | 9 |
N2 | Nitrogen diatomic | 1 | Σg | 2525 | 2330 | 0.923 | 10 | 10 |
1 | Σg | 1863 | 1733 | 0.931 | 10 | 11 | ||
PN | Phosphorus mononitride | 1 | Σ | 1469 | 1323 | 0.900 | 11 | 12 |
P2 | Phosphorus diatomic | 1 | Σg | 867 | 775 | 0.894 | 12 | 13 |
OH | Hydroxyl radical | 1 | Σ | 3751 | 3570 | 0.952 | 13 | 14 |
BeO | beryllium oxide | 1 | Σ | 1607 | 1435 | 0.893 | 14 | 15 |
CO | Carbon monoxide | 1 | Σ | 2263 | 2143 | 0.947 | 15 | 16 |
1 | Σ | 1889 | 15 | 17 | ||||
SiO | Silicon monoxide | 1 | Σ | 1303 | 1230 | 0.943 | 16 | 18 |
HS | Mercapto radical | 1 | Σ | 2772 | 2599 | 0.938 | 17 | 19 |
CS | carbon monosulfide | 1 | Σ | 1333 | 1272 | 0.955 | 18 | 20 |
SO | Sulfur monoxide | 1 | Σ | 1220 | 1138 | 0.933 | 19 | 21 |
1 | Σ | 1226 | 1054 | 0.860 | 19 | 22 | ||
SiS | silicon monosulfide | 1 | Σ | 776 | 744 | 0.960 | 20 | 23 |
HF | Hydrogen fluoride | 1 | Σ | 4195 | 3961 | 0.944 | 21 | 24 |
CF | Fluoromethylidyne | 1 | Σ | 1358 | 1286 | 0.947 | 22 | 25 |
F2 | Fluorine diatomic | 1 | Σg | 1163 | 894 | 0.769 | 23 | 26 |
AlF | Aluminum monofluoride | 1 | Σ | 800 | 793 | 0.990 | 24 | 27 |
SF | Monosulfur monofluoride | 1 | Σ | 873 | 829 | 0.949 | 25 | 28 |
HCl | Hydrogen chloride | 1 | Σ | 2987 | 2886 | 0.966 | 26 | 29 |
ClO | Monochlorine monoxide | 1 | Σ | 897 | 843 | 0.939 | 27 | 30 |
ClF | Chlorine monofluoride | 1 | Σ | 860 | 773 | 0.899 | 28 | 31 |
NaCl | Sodium Chloride | 1 | Σ | 349 | 361 | 1.036 | 29 | 32 |
AlCl | Aluminum monochloride | 1 | Σ | 467 | 478 | 1.022 | 30 | 33 |
SCl | sulfur monochloride | 1 | Σ | 591 | 577 | 0.977 | 31 | 34 |
Cl2 | Chlorine diatomic | 1 | Σg | 575 | 554 | 0.964 | 32 | 35 |
BeH2 | beryllium dihydride | 2 | Σu | 2279 | 2159 | 0.947 | 33 | 36 |
3 | Πu | 733 | 698 | 0.953 | 33 | 37 | ||
SiH2 | silicon dihydride | 1 | A1 | 2107 | 1996 | 0.947 | 34 | 38 |
2 | A1 | 1025 | 999 | 0.974 | 34 | 39 | ||
3 | B2 | 2105 | 1993 | 0.947 | 34 | 40 | ||
HCN | Hydrogen cyanide | 1 | Σ | 3476 | 3312 | 0.953 | 35 | 41 |
2 | Σ | 2255 | 2089 | 0.926 | 35 | 42 | ||
3 | Π | 782 | 712 | 0.910 | 35 | 43 | ||
HNC | hydrogen isocyanide | 1 | Σ | 3833 | 3653 | 0.953 | 36 | 44 |
2 | Σ | 2139 | 2029 | 0.949 | 36 | 45 | ||
3 | Π | 529 | 477 | 0.901 | 36 | 46 | ||
HCP | Phosphaethyne | 1 | Σ | 3349 | 3217 | 0.961 | 37 | 47 |
2 | Σ | 1383 | 1278 | 0.924 | 37 | 48 | ||
3 | Π | 741 | 674 | 0.910 | 37 | 49 | ||
H2O | Water | 1 | A1 | 3874 | 3657 | 0.944 | 38 | 50 |
2 | A1 | 1628 | 1595 | 0.980 | 38 | 51 | ||
3 | B2 | 3976 | 3756 | 0.945 | 38 | 52 | ||
HNO | Nitrosyl hydride | 1 | A' | 2977 | 2684 | 0.902 | 39 | 53 |
2 | A' | 1762 | 1565 | 0.888 | 39 | 54 | ||
3 | A' | 1594 | 1501 | 0.941 | 39 | 55 | ||
CO2 | Carbon dioxide | 1 | Σg | 1412 | 1333 | 0.944 | 40 | 56 |
2 | Σu | 2457 | 2349 | 0.956 | 40 | 57 | ||
3 | Πu | 691 | 667 | 0.965 | 40 | 58 | ||
N2O | Nitrous oxide | 1 | Σ | 2430 | 2224 | 0.915 | 41 | 59 |
2 | Σ | 1365 | 1285 | 0.942 | 41 | 60 | ||
3 | Π | 653 | 589 | 0.902 | 41 | 61 | ||
H2S | Hydrogen sulfide | 1 | A1 | 2738 | 2615 | 0.955 | 42 | 62 |
2 | A1 | 1211 | 1183 | 0.977 | 42 | 63 | ||
3 | B2 | 2750 | 2626 | 0.955 | 42 | 64 | ||
HBS | hydrogen boron sulfide | 1 | Σ | 2866 | 2736 | 0.955 | 43 | 65 |
2 | Σ | 1215 | 1172 | 0.965 | 43 | 66 | ||
OCS | Carbonyl sulfide | 1 | Σ | 2164 | 2062 | 0.953 | 44 | 67 |
2 | Σ | 887 | 859 | 0.969 | 44 | 68 | ||
3 | Π | 538 | 520 | 0.966 | 44 | 69 | ||
SO2 | Sulfur dioxide | 1 | A1 | 1242 | 1151 | 0.927 | 45 | 70 |
2 | A1 | 538 | 518 | 0.962 | 45 | 71 | ||
3 | B2 | 1431 | 1362 | 0.952 | 45 | 72 | ||
SSO | Disulfur monoxide | 1 | A' | 1257 | 1166 | 0.928 | 46 | 73 |
2 | A' | 737 | 679 | 0.921 | 46 | 74 | ||
3 | A' | 394 | 380 | 0.965 | 46 | 75 | ||
HOF | Hypofluorous acid | 1 | A' | 3813 | 3578 | 0.938 | 47 | 76 |
2 | A' | 1451 | 1362 | 0.939 | 47 | 77 | ||
3 | A' | 1089 | 893 | 0.820 | 47 | 78 | ||
CF2 | Difluoromethylene | 1 | A1 | 1288 | 1225 | 0.951 | 48 | 79 |
2 | A1 | 692 | 667 | 0.964 | 48 | 80 | ||
3 | B2 | 1185 | 1114 | 0.941 | 48 | 81 | ||
FNO | Nitrosyl fluoride | 1 | A' | 1977 | 1844 | 0.933 | 49 | 82 |
2 | A' | 848 | 766 | 0.904 | 49 | 83 | ||
3 | A' | 598 | 520 | 0.869 | 49 | 84 | ||
F2O | Difluorine monoxide | 1 | A1 | 1107 | 928 | 0.838 | 50 | 85 |
2 | A1 | 527 | 461 | 0.874 | 50 | 86 | ||
3 | B2 | 1032 | 831 | 0.805 | 50 | 87 | ||
HOCl | hypochlorous acid | 1 | A' | 3851 | 3609 | 0.937 | 51 | 88 |
2 | A' | 1282 | 1239 | 0.966 | 51 | 89 | ||
3 | A' | 807 | 724 | 0.898 | 51 | 90 | ||
ClCN | chlorocyanogen | 1 | Σ | 2378 | 2216 | 0.932 | 52 | 91 |
2 | Σ | 764 | 744 | 0.973 | 52 | 92 | ||
3 | Π | 412 | 378 | 0.918 | 52 | 93 | ||
ClNO | Nitrosyl chloride | 1 | A' | 1964 | 1800 | 0.916 | 53 | 94 |
2 | A' | 634 | 596 | 0.940 | 53 | 95 | ||
3 | A' | 347 | 332 | 0.957 | 53 | 96 | ||
OClO | Chlorine dioxide | 1 | A1 | 1026 | 946 | 0.921 | 54 | 97 |
2 | A1 | 472 | 448 | 0.948 | 54 | 98 | ||
3 | B2 | 1180 | 1110 | 0.941 | 54 | 99 | ||
BH3 | boron trihydride | 2 | A2" | 1179 | 1148 | 0.973 | 55 | 100 |
3 | E' | 2761 | 2602 | 0.942 | 55 | 101 | ||
4 | E' | 1223 | 1197 | 0.979 | 55 | 102 | ||
C2H2 | Acetylene | 1 | Σg | 3541 | 3374 | 0.953 | 56 | 103 |
2 | Σg | 2105 | 1974 | 0.938 | 56 | 104 | ||
3 | Σu | 3429 | 3289 | 0.959 | 56 | 105 | ||
4 | Πg | 705 | 612 | 0.868 | 56 | 106 | ||
5 | Πu | 790 | 730 | 0.925 | 56 | 107 | ||
NH3 | Ammonia | 1 | A1 | 3504 | 3337 | 0.952 | 57 | 108 |
2 | A1 | 1066 | 950 | 0.891 | 57 | 109 | ||
3 | E | 3628 | 3444 | 0.949 | 57 | 110 | ||
4 | E | 1670 | 1627 | 0.974 | 57 | 111 | ||
PH3 | Phosphine | 1 | A1 | 2454 | 2323 | 0.947 | 58 | 112 |
2 | A1 | 1032 | 992 | 0.961 | 58 | 113 | ||
3 | E | 2458 | 2328 | 0.947 | 58 | 114 | ||
4 | E | 1154 | 1118 | 0.969 | 58 | 115 | ||
H2CO | Formaldehyde | 1 | A1 | 2942 | 2782 | 0.946 | 59 | 116 |
2 | A1 | 1877 | 1746 | 0.930 | 59 | 117 | ||
3 | A1 | 1546 | 1500 | 0.970 | 59 | 118 | ||
4 | B1 | 1217 | 1167 | 0.959 | 59 | 119 | ||
5 | B2 | 3012 | 2843 | 0.944 | 59 | 120 | ||
6 | B2 | 1279 | 1249 | 0.977 | 59 | 121 | ||
H2O2 | Hydrogen peroxide | 1 | A | 3849 | 3599 | 0.935 | 60 | 122 |
2 | A | 1466 | 1402 | 0.956 | 60 | 123 | ||
3 | A | 1047 | 877 | 0.838 | 60 | 124 | ||
4 | A | 368 | 371 | 1.008 | 60 | 125 | ||
5 | B | 3847 | 3608 | 0.938 | 60 | 126 | ||
6 | B | 1355 | 1266 | 0.934 | 60 | 127 | ||
H2CS | Thioformaldehyde | 1 | A1 | 3095 | 2971 | 0.960 | 61 | 128 |
2 | A1 | 1504 | 1456 | 0.968 | 61 | 129 | ||
3 | A1 | 1138 | 1059 | 0.931 | 61 | 130 | ||
4 | B1 | 1053 | 990 | 0.941 | 61 | 131 | ||
5 | B2 | 3181 | 3025 | 0.951 | 61 | 132 | ||
6 | B2 | 1006 | 991 | 0.985 | 61 | 133 | ||
CF2O | Carbonic difluoride | 1 | A1 | 2031 | 1928 | 0.949 | 62 | 134 |
2 | A1 | 1015 | 965 | 0.951 | 62 | 135 | ||
3 | A1 | 592 | 584 | 0.986 | 62 | 136 | ||
4 | B1 | 801 | 774 | 0.966 | 62 | 137 | ||
5 | B2 | 1314 | 1249 | 0.951 | 62 | 138 | ||
6 | B2 | 634 | 626 | 0.988 | 62 | 139 | ||
BF3 | Borane, trifluoro- | 1 | A1' | 914 | 888 | 0.972 | 63 | 140 |
2 | A2" | 695 | 691 | 0.995 | 63 | 141 | ||
3 | E' | 1501 | 1449 | 0.966 | 63 | 142 | ||
4 | E' | 482 | 480 | 0.995 | 63 | 143 | ||
NF3 | Nitrogen trifluoride | 1 | A1 | 1123 | 1032 | 0.919 | 64 | 144 |
2 | A1 | 698 | 647 | 0.927 | 64 | 145 | ||
3 | E | 1028 | 907 | 0.882 | 64 | 146 | ||
4 | E | 529 | 492 | 0.929 | 64 | 147 | ||
AlF3 | Aluminum trifluoride | 1 | A1' | 718 | 690 | 0.961 | 65 | 148 |
2 | A2" | 298 | 297 | 0.996 | 65 | 149 | ||
3 | E' | 996 | 935 | 0.938 | 65 | 150 | ||
4 | E' | 246 | 263 | 1.068 | 65 | 151 | ||
PF3 | Phosphorus trifluoride | 1 | A1 | 917 | 892 | 0.973 | 66 | 152 |
2 | A1 | 481 | 487 | 1.013 | 66 | 153 | ||
3 | E | 878 | 860 | 0.979 | 66 | 154 | ||
4 | E | 345 | 344 | 0.998 | 66 | 155 | ||
ClNO2 | Nitryl chloride | 1 | A1 | 1399 | 1267 | 0.906 | 67 | 156 |
2 | A1 | 851 | 793 | 0.932 | 67 | 157 | ||
3 | A1 | 442 | 364 | 0.822 | 67 | 158 | ||
4 | B1 | 708 | 652 | 0.920 | 67 | 159 | ||
5 | B2 | 1811 | 1684 | 0.930 | 67 | 160 | ||
6 | B2 | 438 | 408 | 0.931 | 67 | 161 | ||
ClF3 | Chlorine trifluoride | 1 | A1 | 844 | 752 | 0.891 | 68 | 162 |
2 | A1 | 582 | 529 | 0.909 | 68 | 163 | ||
3 | A1 | 365 | 328 | 0.899 | 68 | 164 | ||
4 | B1 | 357 | 328 | 0.919 | 68 | 165 | ||
5 | B2 | 744 | 702 | 0.944 | 68 | 166 | ||
6 | B2 | 468 | 442 | 0.945 | 68 | 167 | ||
CCl2O | Phosgene | 1 | A1 | 1933 | 1827 | 0.945 | 69 | 168 |
2 | A1 | 584 | 567 | 0.971 | 69 | 169 | ||
3 | A1 | 300 | 285 | 0.952 | 69 | 170 | ||
4 | B1 | 594 | 580 | 0.977 | 69 | 171 | ||
5 | B2 | 850 | 849 | 0.998 | 69 | 172 | ||
6 | B2 | 453 | 440 | 0.972 | 69 | 173 | ||
PCl3 | Phosphorus trichloride | 1 | A1 | 526 | 504 | 0.959 | 70 | 174 |
2 | A1 | 255 | 252 | 0.986 | 70 | 175 | ||
3 | E | 512 | 482 | 0.941 | 70 | 176 | ||
4 | E | 185 | 198 | 1.073 | 70 | 177 | ||
CH4 | Methane | 1 | A1 | 3062 | 2917 | 0.953 | 71 | 178 |
2 | E | 1566 | 1534 | 0.980 | 71 | 179 | ||
3 | T2 | 3176 | 3019 | 0.951 | 71 | 180 | ||
4 | T2 | 1342 | 1306 | 0.973 | 71 | 181 | ||
CH2NH | Methanimine | 1 | A' | 3474 | 3263 | 0.939 | 72 | 182 |
2 | A' | 3151 | 3024 | 0.960 | 72 | 183 | ||
3 | A' | 3059 | 2914 | 0.953 | 72 | 184 | ||
4 | A' | 1753 | 1638 | 0.935 | 72 | 185 | ||
5 | A' | 1501 | 1452 | 0.967 | 72 | 186 | ||
6 | A' | 1376 | 1344 | 0.977 | 72 | 187 | ||
7 | A' | 1078 | 1058 | 0.982 | 72 | 188 | ||
8 | A" | 1177 | 1127 | 0.958 | 72 | 189 | ||
9 | A" | 1119 | 1061 | 0.948 | 72 | 190 | ||
NH2OH | hydroxylamine | 1 | A' | 3891 | 3650 | 0.938 | 73 | 191 |
2 | A' | 3482 | 3294 | 0.946 | 73 | 192 | ||
3 | A' | 1677 | 1605 | 0.957 | 73 | 193 | ||
4 | A' | 1411 | 1353 | 0.959 | 73 | 194 | ||
5 | A' | 1160 | 1115 | 0.962 | 73 | 195 | ||
6 | A' | 1007 | 895 | 0.889 | 73 | 196 | ||
7 | A" | 3563 | 3359 | 0.943 | 73 | 197 | ||
8 | A" | 1350 | 1295 | 0.959 | 73 | 198 | ||
9 | A" | 413 | 386 | 0.935 | 73 | 199 | ||
CH2CO | Ketene | 1 | A1 | 3219 | 3070 | 0.954 | 74 | 200 |
2 | A1 | 2265 | 2152 | 0.950 | 74 | 201 | ||
3 | A1 | 1417 | 1388 | 0.980 | 74 | 202 | ||
4 | A1 | 1185 | 1118 | 0.943 | 74 | 203 | ||
5 | B1 | 607 | 588 | 0.969 | 74 | 204 | ||
6 | B1 | 579 | 528 | 0.912 | 74 | 205 | ||
7 | B2 | 3321 | 3166 | 0.953 | 74 | 206 | ||
8 | B2 | 990 | 977 | 0.986 | 74 | 207 | ||
9 | B2 | 442 | 433 | 0.979 | 74 | 208 | ||
HCOOH | Formic acid | 1 | A' | 3799 | 3570 | 0.940 | 75 | 209 |
2 | A' | 3103 | 2943 | 0.948 | 75 | 210 | ||
3 | A' | 1880 | 1770 | 0.942 | 75 | 211 | ||
4 | A' | 1417 | 1387 | 0.979 | 75 | 212 | ||
5 | A' | 1324 | 1229 | 0.928 | 75 | 213 | ||
6 | A' | 1164 | 1105 | 0.950 | 75 | 214 | ||
7 | A' | 645 | 625 | 0.969 | 75 | 215 | ||
8 | A" | 1077 | 1033 | 0.959 | 75 | 216 | ||
9 | A" | 682 | 638 | 0.936 | 75 | 217 | ||
HNO3 | Nitric acid | 1 | A' | 3793 | 3550 | 0.936 | 76 | 218 |
2 | A' | 1829 | 1708 | 0.934 | 76 | 219 | ||
3 | A' | 1426 | 1331 | 0.934 | 76 | 220 | ||
4 | A' | 1363 | 1325 | 0.972 | 76 | 221 | ||
5 | A' | 989 | 879 | 0.889 | 76 | 222 | ||
6 | A' | 707 | 647 | 0.914 | 76 | 223 | ||
7 | A' | 623 | 579 | 0.930 | 76 | 224 | ||
8 | A" | 827 | 762 | 0.922 | 76 | 225 | ||
9 | A" | 505 | 456 | 0.903 | 76 | 226 | ||
CH3F | Methyl fluoride | 1 | A1 | 3067 | 2930 | 0.955 | 77 | 227 |
2 | A1 | 1500 | 1464 | 0.976 | 77 | 228 | ||
3 | A1 | 1116 | 1049 | 0.940 | 77 | 229 | ||
4 | E | 3150 | 3006 | 0.954 | 77 | 230 | ||
5 | E | 1509 | 1467 | 0.972 | 77 | 231 | ||
6 | E | 1209 | 1182 | 0.978 | 77 | 232 | ||
CH2F2 | Methane, difluoro- | 1 | A1 | 3090 | 2948 | 0.954 | 78 | 233 |
2 | A1 | 1553 | 1508 | 0.971 | 78 | 234 | ||
3 | A1 | 1161 | 1111 | 0.957 | 78 | 235 | ||
4 | A1 | 541 | 529 | 0.977 | 78 | 236 | ||
5 | A2 | 1296 | 1262 | 0.974 | 78 | 237 | ||
6 | B1 | 3163 | 3014 | 0.953 | 78 | 238 | ||
7 | B1 | 1200 | 1178 | 0.982 | 78 | 239 | ||
8 | B2 | 1485 | 1435 | 0.966 | 78 | 240 | ||
9 | B2 | 1154 | 1090 | 0.944 | 78 | 241 | ||
CHF3 | Methane, trifluoro- | 1 | A1 | 3178 | 3036 | 0.955 | 79 | 242 |
2 | A1 | 1177 | 1117 | 0.949 | 79 | 243 | ||
3 | A1 | 715 | 700 | 0.979 | 79 | 244 | ||
4 | E | 1425 | 1372 | 0.963 | 79 | 245 | ||
5 | E | 1212 | 1152 | 0.950 | 79 | 246 | ||
6 | E | 517 | 507 | 0.981 | 79 | 247 | ||
SiH3F | monofluorosilane | 1 | A1 | 2309 | 2206 | 0.955 | 80 | 248 |
2 | A1 | 1003 | 990 | 0.987 | 80 | 249 | ||
3 | A1 | 890 | 872 | 0.980 | 80 | 250 | ||
4 | E | 2314 | 2196 | 0.949 | 80 | 251 | ||
5 | E | 975 | 956 | 0.980 | 80 | 252 | ||
6 | E | 735 | 728 | 0.991 | 80 | 253 | ||
CH3Cl | Methyl chloride | 1 | A1 | 3105 | 2966 | 0.955 | 81 | 254 |
2 | A1 | 1386 | 1355 | 0.978 | 81 | 255 | ||
3 | A1 | 757 | 732 | 0.968 | 81 | 256 | ||
4 | E | 3203 | 3042 | 0.950 | 81 | 257 | ||
5 | E | 1493 | 1455 | 0.975 | 81 | 258 | ||
6 | E | 1035 | 1015 | 0.981 | 81 | 259 | ||
SiH3Cl | chlorosilane | 1 | A1 | 2304 | 2201 | 0.955 | 82 | 260 |
2 | A1 | 958 | 949 | 0.991 | 82 | 261 | ||
3 | A1 | 549 | 551 | 1.004 | 82 | 262 | ||
4 | E | 2316 | 2195 | 0.948 | 82 | 263 | ||
5 | E | 965 | 954 | 0.988 | 82 | 264 | ||
6 | E | 664 | 664 | 1.000 | 82 | 265 | ||
CH2Cl2 | Methylene chloride | 1 | A1 | 3149 | 2999 | 0.952 | 83 | 266 |
2 | A1 | 1475 | 1467 | 0.995 | 83 | 267 | ||
3 | A1 | 734 | 717 | 0.977 | 83 | 268 | ||
4 | A1 | 284 | 282 | 0.992 | 83 | 269 | ||
5 | A2 | 1187 | 1153 | 0.971 | 83 | 270 | ||
6 | B1 | 3226 | 3040 | 0.942 | 83 | 271 | ||
7 | B1 | 908 | 898 | 0.989 | 83 | 272 | ||
8 | B2 | 1298 | 1268 | 0.977 | 83 | 273 | ||
9 | B2 | 777 | 758 | 0.976 | 83 | 274 | ||
SiH2Cl2 | dichlorosilane | 1 | A1 | 2258 | 2224 | 0.985 | 84 | 275 |
2 | A1 | 961 | 954 | 0.993 | 84 | 276 | ||
3 | A1 | 533 | 527 | 0.988 | 84 | 277 | ||
4 | A1 | 180 | 188 | 1.045 | 84 | 278 | ||
5 | A2 | 719 | 710 | 0.988 | 84 | 279 | ||
6 | B1 | 2274 | 2237 | 0.984 | 84 | 280 | ||
7 | B1 | 600 | 602 | 1.004 | 84 | 281 | ||
8 | B2 | 885 | 876 | 0.989 | 84 | 282 | ||
9 | B2 | 592 | 590 | 0.996 | 84 | 283 | ||
CHCl3 | Chloroform | 1 | A1 | 3204 | 3034 | 0.947 | 85 | 284 |
2 | A1 | 682 | 680 | 0.997 | 85 | 285 | ||
3 | A1 | 371 | 366 | 0.986 | 85 | 286 | ||
4 | E | 1253 | 1220 | 0.973 | 85 | 287 | ||
5 | E | 791 | 774 | 0.978 | 85 | 288 | ||
6 | E | 262 | 260 | 0.992 | 85 | 289 | ||
CF2Cl2 | difluorodichloromethane | 1 | A1 | 1155 | 1101 | 0.953 | 86 | 290 |
2 | A1 | 684 | 667 | 0.976 | 86 | 291 | ||
3 | A1 | 464 | 458 | 0.987 | 86 | 292 | ||
4 | A1 | 261 | 262 | 1.003 | 86 | 293 | ||
5 | A2 | 325 | 322 | 0.990 | 86 | 294 | ||
6 | B1 | 912 | 902 | 0.989 | 86 | 295 | ||
7 | B1 | 443 | 437 | 0.987 | 86 | 296 | ||
8 | B2 | 1230 | 1159 | 0.942 | 86 | 297 | ||
9 | B2 | 437 | 446 | 1.020 | 86 | 298 | ||
SiHCl3 | Trichlorosilane | 1 | A1 | 2327 | 2261 | 0.972 | 87 | 299 |
2 | A1 | 495 | 499 | 1.009 | 87 | 300 | ||
3 | A1 | 245 | 254 | 1.036 | 87 | 301 | ||
4 | E | 806 | 811 | 1.007 | 87 | 302 | ||
5 | E | 598 | 600 | 1.004 | 87 | 303 | ||
6 | E | 169 | 176 | 1.044 | 87 | 304 | ||
C2H4 | Ethylene | 1 | Ag | 3176 | 3026 | 0.953 | 88 | 305 |
2 | Ag | 1718 | 1623 | 0.944 | 88 | 306 | ||
3 | Ag | 1388 | 1342 | 0.967 | 88 | 307 | ||
4 | Au | 1071 | 1023 | 0.955 | 88 | 308 | ||
5 | B1u | 3160 | 2989 | 0.946 | 88 | 309 | ||
6 | B1u | 1474 | 1444 | 0.979 | 88 | 310 | ||
7 | B2g | 1003 | 940 | 0.937 | 88 | 311 | ||
8 | B2u | 3262 | 3105 | 0.952 | 88 | 312 | ||
9 | B2u | 829 | 826 | 0.996 | 88 | 313 | ||
10 | B3g | 3236 | 3086 | 0.954 | 88 | 314 | ||
11 | B3g | 1243 | 1217 | 0.979 | 88 | 315 | ||
12 | B3u | 990 | 949 | 0.959 | 88 | 316 | ||
N2H4 | Hydrazine | 1 | A | 3598 | 3398 | 0.944 | 89 | 317 |
2 | A | 3497 | 3329 | 0.952 | 89 | 318 | ||
3 | A | 1691 | 1642 | 0.971 | 89 | 319 | ||
4 | A | 1342 | 1275 | 0.950 | 89 | 320 | ||
5 | A | 1145 | 1076 | 0.940 | 89 | 321 | ||
6 | A | 845 | 780 | 0.923 | 89 | 322 | ||
7 | A | 454 | 377 | 0.831 | 89 | 323 | ||
8 | B | 3604 | 3350 | 0.929 | 89 | 324 | ||
9 | B | 3489 | 3314 | 0.950 | 89 | 325 | ||
10 | B | 1677 | 1628 | 0.971 | 89 | 326 | ||
11 | B | 1310 | 1275 | 0.973 | 89 | 327 | ||
12 | B | 1000 | 966 | 0.966 | 89 | 328 | ||
CH3CN | Acetonitrile | 1 | A1 | 3089 | 2954 | 0.956 | 90 | 329 |
2 | A1 | 2431 | 2267 | 0.933 | 90 | 330 | ||
3 | A1 | 1408 | 1385 | 0.983 | 90 | 331 | ||
4 | A1 | 942 | 920 | 0.976 | 90 | 332 | ||
5 | E | 3168 | 3009 | 0.950 | 90 | 333 | ||
6 | E | 1480 | 1448 | 0.978 | 90 | 334 | ||
7 | E | 1061 | 1041 | 0.981 | 90 | 335 | ||
8 | E | 386 | 362 | 0.937 | 90 | 336 | ||
CH3OH | Methyl alcohol | 1 | A' | 3908 | 3681 | 0.942 | 91 | 337 |
2 | A' | 3144 | 3000 | 0.954 | 91 | 338 | ||
3 | A' | 3024 | 2844 | 0.941 | 91 | 339 | ||
4 | A' | 1520 | 1477 | 0.972 | 91 | 340 | ||
5 | A' | 1489 | 1455 | 0.977 | 91 | 341 | ||
6 | A' | 1375 | 1345 | 0.979 | 91 | 342 | ||
7 | A' | 1120 | 1060 | 0.947 | 91 | 343 | ||
8 | A' | 1072 | 1033 | 0.964 | 91 | 344 | ||
9 | A" | 3077 | 2960 | 0.962 | 91 | 345 | ||
10 | A" | 1509 | 1477 | 0.979 | 91 | 346 | ||
11 | A" | 1183 | 1165 | 0.985 | 91 | 347 | ||
12 | A" | 258 | 200 | 0.774 | 91 | 348 | ||
CHONH2 | formamide | 1 | A' | 3763 | 3564 | 0.947 | 92 | 349 |
2 | A' | 3616 | 3439 | 0.951 | 92 | 350 | ||
3 | A' | 3036 | 2854 | 0.940 | 92 | 351 | ||
4 | A' | 1853 | 1754 | 0.947 | 92 | 352 | ||
5 | A' | 1614 | 1577 | 0.977 | 92 | 353 | ||
6 | A' | 1437 | 1390 | 0.967 | 92 | 354 | ||
7 | A' | 1279 | 1258 | 0.984 | 92 | 355 | ||
8 | A' | 1062 | 1046 | 0.984 | 92 | 356 | ||
9 | A' | 573 | 581 | 1.014 | 92 | 357 | ||
10 | A" | 1061 | 1021 | 0.962 | 92 | 358 | ||
11 | A" | 650 | 603 | 0.927 | 92 | 359 | ||
12 | A" | 216 | 289 | 1.334 | 92 | 360 | ||
CH3SH | Methanethiol | 1 | A' | 3177 | 3000 | 0.944 | 93 | 361 |
2 | A' | 3089 | 2931 | 0.949 | 93 | 362 | ||
3 | A' | 2719 | 2597 | 0.955 | 93 | 363 | ||
4 | A' | 1495 | 1475 | 0.987 | 93 | 364 | ||
5 | A' | 1359 | 1335 | 0.983 | 93 | 365 | ||
6 | A' | 1098 | 1074 | 0.979 | 93 | 366 | ||
7 | A' | 801 | 803 | 1.002 | 93 | 367 | ||
8 | A' | 731 | 708 | 0.969 | 93 | 368 | ||
9 | A" | 3179 | 3000 | 0.944 | 93 | 369 | ||
10 | A" | 1482 | 1430 | 0.965 | 93 | 370 | ||
11 | A" | 975 | 976 | 1.001 | 93 | 371 | ||
CH2CHF | Ethene, fluoro- | 1 | A' | 3298 | 3115 | 0.945 | 94 | 372 |
2 | A' | 3228 | 3080 | 0.954 | 94 | 373 | ||
3 | A' | 3197 | 3052 | 0.955 | 94 | 374 | ||
4 | A' | 1752 | 1654 | 0.944 | 94 | 375 | ||
5 | A' | 1419 | 1380 | 0.972 | 94 | 376 | ||
6 | A' | 1341 | 1306 | 0.974 | 94 | 377 | ||
7 | A' | 1201 | 1156 | 0.962 | 94 | 378 | ||
8 | A' | 956 | 929 | 0.972 | 94 | 379 | ||
9 | A' | 489 | 483 | 0.987 | 94 | 380 | ||
10 | A" | 990 | 940 | 0.950 | 94 | 381 | ||
11 | A" | 918 | 863 | 0.940 | 94 | 382 | ||
12 | A" | 745 | 711 | 0.954 | 94 | 383 | ||
CH2CF2 | Ethene, 1,1-difluoro- | 1 | A1 | 3210 | 3070 | 0.956 | 95 | 384 |
2 | A1 | 1816 | 1728 | 0.952 | 95 | 385 | ||
3 | A1 | 1414 | 1360 | 0.962 | 95 | 386 | ||
4 | A1 | 970 | 926 | 0.955 | 95 | 387 | ||
5 | A1 | 561 | 550 | 0.980 | 95 | 388 | ||
6 | A2 | 734 | 714 | 0.973 | 95 | 389 | ||
7 | B1 | 857 | 803 | 0.937 | 95 | 390 | ||
8 | B1 | 653 | 611 | 0.935 | 95 | 391 | ||
9 | B2 | 3316 | 3154 | 0.951 | 95 | 392 | ||
10 | B2 | 1365 | 1302 | 0.954 | 95 | 393 | ||
11 | B2 | 972 | 955 | 0.982 | 95 | 394 | ||
12 | B2 | 445 | 438 | 0.984 | 95 | 395 | ||
C2H3Cl | Ethene, chloro- | 1 | A' | 3257 | 3121 | 0.958 | 96 | 396 |
2 | A' | 3208 | 3086 | 0.962 | 96 | 397 | ||
3 | A' | 3160 | 3030 | 0.959 | 96 | 398 | ||
4 | A' | 1698 | 1608 | 0.947 | 96 | 399 | ||
5 | A' | 1409 | 1368 | 0.971 | 96 | 400 | ||
6 | A' | 1305 | 1279 | 0.980 | 96 | 401 | ||
7 | A' | 1042 | 1030 | 0.989 | 96 | 402 | ||
8 | A' | 722 | 720 | 0.997 | 96 | 403 | ||
9 | A' | 395 | 395 | 0.999 | 96 | 404 | ||
10 | A" | 983 | 941 | 0.957 | 96 | 405 | ||
11 | A" | 947 | 896 | 0.946 | 96 | 406 | ||
12 | A" | 633 | 620 | 0.980 | 96 | 407 | ||
CH2CCl2 | Ethene, 1,1-dichloro- | 1 | A1 | 3178 | 3035 | 0.955 | 97 | 408 |
2 | A1 | 1698 | 1627 | 0.958 | 97 | 409 | ||
3 | A1 | 1409 | 1400 | 0.993 | 97 | 410 | ||
4 | A1 | 623 | 603 | 0.969 | 97 | 411 | ||
5 | A1 | 296 | 299 | 1.010 | 97 | 412 | ||
6 | A2 | 714 | 686 | 0.961 | 97 | 413 | ||
7 | B1 | 932 | 875 | 0.939 | 97 | 414 | ||
8 | B1 | 474 | 460 | 0.971 | 97 | 415 | ||
9 | B2 | 3278 | 3130 | 0.955 | 97 | 416 | ||
10 | B2 | 1111 | 1095 | 0.985 | 97 | 417 | ||
11 | B2 | 801 | 800 | 0.999 | 97 | 418 | ||
12 | B2 | 382 | 372 | 0.975 | 97 | 419 | ||
CHClCHCl | Ethene, 1,2-dichloro-, (Z)- | 1 | A1 | 3245 | 3077 | 0.948 | 98 | 420 |
2 | A1 | 1686 | 1587 | 0.941 | 98 | 421 | ||
3 | A1 | 1214 | 1179 | 0.971 | 98 | 422 | ||
4 | A1 | 747 | 711 | 0.952 | 98 | 423 | ||
5 | A1 | 174 | 173 | 0.995 | 98 | 424 | ||
6 | A2 | 949 | 876 | 0.923 | 98 | 425 | ||
7 | A2 | 422 | 406 | 0.961 | 98 | 426 | ||
8 | B1 | 738 | 697 | 0.944 | 98 | 427 | ||
9 | B2 | 3224 | 3072 | 0.953 | 98 | 428 | ||
10 | B2 | 1324 | 1303 | 0.984 | 98 | 429 | ||
11 | B2 | 880 | 857 | 0.974 | 98 | 430 | ||
12 | B2 | 583 | 571 | 0.979 | 98 | 431 | ||
B2Cl4 | Diboron tetrachloride | 1 | A1 | 1163 | 1122 | 0.965 | 99 | 432 |
2 | A1 | 410 | 401 | 0.979 | 99 | 433 | ||
3 | A1 | 169 | 176 | 1.043 | 99 | 434 | ||
5 | B2 | 742 | 728 | 0.981 | 99 | 435 | ||
6 | B2 | 286 | 289 | 1.012 | 99 | 436 | ||
7 | E | 930 | 917 | 0.986 | 99 | 437 | ||
8 | E | 495 | 512 | 1.034 | 99 | 438 | ||
9 | E | 91 | 104 | 1.139 | 99 | 439 | ||
CH3CCH | propyne | 1 | A1 | 3493 | 3334 | 0.954 | 100 | 440 |
2 | A1 | 3073 | 2918 | 0.950 | 100 | 441 | ||
3 | A1 | 2269 | 2124 | 0.936 | 100 | 442 | ||
4 | A1 | 1411 | 1382 | 0.979 | 100 | 443 | ||
5 | A1 | 954 | 931 | 0.976 | 100 | 444 | ||
6 | E | 3142 | 3008 | 0.957 | 100 | 445 | ||
7 | E | 1484 | 1452 | 0.979 | 100 | 446 | ||
8 | E | 1056 | 1053 | 0.997 | 100 | 447 | ||
9 | E | 708 | 633 | 0.894 | 100 | 448 | ||
10 | E | 353 | 328 | 0.929 | 100 | 449 | ||
CH3NH2 | methyl amine | 1 | A' | 3536 | 3361 | 0.950 | 101 | 450 |
2 | A' | 3101 | 2961 | 0.955 | 101 | 451 | ||
3 | A' | 3019 | 2820 | 0.934 | 101 | 452 | ||
4 | A' | 1660 | 1623 | 0.978 | 101 | 453 | ||
5 | A' | 1506 | 1473 | 0.978 | 101 | 454 | ||
6 | A' | 1459 | 1430 | 0.980 | 101 | 455 | ||
7 | A' | 1179 | 1130 | 0.959 | 101 | 456 | ||
8 | A' | 1087 | 1044 | 0.961 | 101 | 457 | ||
9 | A' | 852 | 780 | 0.916 | 101 | 458 | ||
10 | A" | 3617 | 3427 | 0.947 | 101 | 459 | ||
11 | A" | 3135 | 2985 | 0.952 | 101 | 460 | ||
12 | A" | 1526 | 1485 | 0.973 | 101 | 461 | ||
13 | A" | 1348 | 1335 | 0.990 | 101 | 462 | ||
14 | A" | 976 | 101 | 463 | ||||
15 | A" | 306 | 268 | 0.876 | 101 | 464 | ||
C3H3N | acrylonitrile | 1 | A' | 3256 | 3125 | 0.960 | 102 | 465 |
2 | A' | 3192 | 3078 | 0.964 | 102 | 466 | ||
3 | A' | 3161 | 3042 | 0.962 | 102 | 467 | ||
4 | A' | 2396 | 2239 | 0.935 | 102 | 468 | ||
5 | A' | 1708 | 1615 | 0.946 | 102 | 469 | ||
6 | A' | 1449 | 1416 | 0.977 | 102 | 470 | ||
7 | A' | 1319 | 1282 | 0.972 | 102 | 471 | ||
8 | A' | 1111 | 1096 | 0.986 | 102 | 472 | ||
9 | A' | 884 | 869 | 0.984 | 102 | 473 | ||
10 | A' | 585 | 570 | 0.975 | 102 | 474 | ||
11 | A' | 234 | 242 | 1.033 | 102 | 475 | ||
12 | A" | 1019 | 972 | 0.954 | 102 | 476 | ||
13 | A" | 1009 | 954 | 0.945 | 102 | 477 | ||
14 | A" | 715 | 683 | 0.955 | 102 | 478 | ||
15 | A" | 344 | 362 | 1.053 | 102 | 479 | ||
CH2N4 | 1H-Tetrazole | 1 | A' | 3669 | 3447 | 0.939 | 103 | 480 |
2 | A' | 3299 | 3102 | 0.940 | 103 | 481 | ||
3 | A' | 1548 | 1441 | 0.931 | 103 | 482 | ||
4 | A' | 1487 | 1384 | 0.931 | 103 | 483 | ||
5 | A' | 1357 | 1259 | 0.928 | 103 | 484 | ||
6 | A' | 1296 | 1159 | 0.894 | 103 | 485 | ||
7 | A' | 1162 | 1084 | 0.933 | 103 | 486 | ||
8 | A' | 1097 | 1015 | 0.925 | 103 | 487 | ||
9 | A' | 1087 | 1002 | 0.922 | 103 | 488 | ||
10 | A' | 1031 | 969 | 0.940 | 103 | 489 | ||
11 | A' | 998 | 925 | 0.927 | 103 | 490 | ||
12 | A" | 900 | 906 | 1.006 | 103 | 491 | ||
13 | A" | 760 | 663 | 0.873 | 103 | 492 | ||
14 | A" | 703 | 658 | 0.936 | 103 | 493 | ||
15 | A" | 604 | 578 | 0.957 | 103 | 494 | ||
CH3PH2 | Methyl phosphine | 1 | A' | 3154 | 3000 | 0.951 | 104 | 495 |
2 | A' | 3063 | 2938 | 0.959 | 104 | 496 | ||
3 | A' | 2438 | 2297 | 0.942 | 104 | 497 | ||
4 | A' | 1477 | 1450 | 0.982 | 104 | 498 | ||
5 | A' | 1321 | 1238 | 0.937 | 104 | 499 | ||
6 | A' | 1124 | 1086 | 0.966 | 104 | 500 | ||
7 | A' | 985 | 977 | 0.992 | 104 | 501 | ||
8 | A' | 733 | 740 | 1.010 | 104 | 502 | ||
9 | A' | 681 | 677 | 0.994 | 104 | 503 | ||
10 | A" | 3146 | 2992 | 0.951 | 104 | 504 | ||
11 | A" | 2441 | 2312 | 0.947 | 104 | 505 | ||
12 | A" | 1477 | 1450 | 0.982 | 104 | 506 | ||
13 | A" | 1032 | 1017 | 0.985 | 104 | 507 | ||
15 | A" | 212 | 207 | 0.975 | 104 | 508 | ||
CH3CHO | Acetaldehyde | 1 | A' | 3180 | 3014 | 0.948 | 105 | 509 |
2 | A' | 3062 | 2923 | 0.954 | 105 | 510 | ||
3 | A' | 2945 | 2716 | 0.922 | 105 | 511 | ||
4 | A' | 1872 | 1743 | 0.931 | 105 | 512 | ||
5 | A' | 1466 | 1433 | 0.978 | 105 | 513 | ||
6 | A' | 1435 | 1395 | 0.972 | 105 | 514 | ||
7 | A' | 1379 | 1352 | 0.980 | 105 | 515 | ||
8 | A' | 1138 | 1114 | 0.979 | 105 | 516 | ||
9 | A' | 901 | 867 | 0.962 | 105 | 517 | ||
10 | A' | 514 | 509 | 0.990 | 105 | 518 | ||
11 | A" | 3126 | 2964 | 0.948 | 105 | 519 | ||
12 | A" | 1474 | 1431 | 0.971 | 105 | 520 | ||
13 | A" | 1146 | 1102 | 0.962 | 105 | 521 | ||
14 | A" | 776 | 764 | 0.985 | 105 | 522 | ||
15 | A" | 161 | 150 | 0.930 | 105 | 523 | ||
C2H4O | Ethylene oxide | 1 | A1 | 3134 | 3006 | 0.959 | 106 | 524 |
2 | A1 | 1555 | 1467 | 0.943 | 106 | 525 | ||
3 | A1 | 1334 | 1267 | 0.950 | 106 | 526 | ||
4 | A1 | 1170 | 1146 | 0.980 | 106 | 527 | ||
5 | A1 | 935 | 857 | 0.917 | 106 | 528 | ||
6 | A2 | 3214 | 3063 | 0.953 | 106 | 529 | ||
7 | A2 | 1174 | 1050 | 0.894 | 106 | 530 | ||
8 | A2 | 1062 | 1020 | 0.961 | 106 | 531 | ||
9 | B1 | 3228 | 3065 | 0.949 | 106 | 532 | ||
10 | B1 | 1190 | 1146 | 0.963 | 106 | 533 | ||
11 | B1 | 819 | 797 | 0.973 | 106 | 534 | ||
12 | B2 | 3127 | 3006 | 0.961 | 106 | 535 | ||
13 | B2 | 1510 | 1459 | 0.966 | 106 | 536 | ||
14 | B2 | 1164 | 1159 | 0.996 | 106 | 537 | ||
15 | B2 | 927 | 824 | 0.889 | 106 | 538 | ||
CH3ONO | Methyl nitrite | 1 | A' | 3192 | 3037 | 0.951 | 107 | 539 |
2 | A' | 3069 | 2950 | 0.961 | 107 | 540 | ||
3 | A' | 1757 | 1613 | 0.918 | 107 | 541 | ||
4 | A' | 1497 | 1454 | 0.971 | 107 | 542 | ||
5 | A' | 1452 | 1408 | 0.969 | 107 | 543 | ||
6 | A' | 1208 | 1239 | 1.025 | 107 | 544 | ||
7 | A' | 1074 | 991 | 0.923 | 107 | 545 | ||
8 | A' | 919 | 838 | 0.912 | 107 | 546 | ||
9 | A' | 769 | 627 | 0.815 | 107 | 547 | ||
10 | A' | 382 | 346 | 0.905 | 107 | 548 | ||
11 | A" | 3143 | 2991 | 0.951 | 107 | 549 | ||
12 | A" | 1489 | 1438 | 0.966 | 107 | 550 | ||
13 | A" | 1168 | 1143 | 0.978 | 107 | 551 | ||
14 | A" | 371 | 107 | 552 | ||||
15 | A" | 221 | 186 | 0.841 | 107 | 553 | ||
C2H4S | Thiirane | 1 | A1 | 3141 | 3014 | 0.959 | 108 | 554 |
2 | A1 | 1501 | 1457 | 0.971 | 108 | 555 | ||
5 | A1 | 659 | 627 | 0.951 | 108 | 556 | ||
11 | B1 | 830 | 824 | 0.994 | 108 | 557 | ||
12 | B2 | 3140 | 3013 | 0.960 | 108 | 558 | ||
14 | B2 | 1080 | 1051 | 0.973 | 108 | 559 | ||
CH3COF | Acetyl fluoride | 1 | A' | 3184 | 3043 | 0.956 | 109 | 560 |
2 | A' | 3068 | 2955 | 0.963 | 109 | 561 | ||
3 | A' | 1972 | 1870 | 0.948 | 109 | 562 | ||
4 | A' | 1467 | 1440 | 0.982 | 109 | 563 | ||
5 | A' | 1402 | 1378 | 0.983 | 109 | 564 | ||
6 | A' | 1239 | 1188 | 0.959 | 109 | 565 | ||
7 | A' | 1012 | 1000 | 0.988 | 109 | 566 | ||
8 | A' | 876 | 826 | 0.943 | 109 | 567 | ||
9 | A' | 616 | 598 | 0.970 | 109 | 568 | ||
10 | A' | 416 | 420 | 1.010 | 109 | 569 | ||
11 | A" | 3138 | 3004 | 0.957 | 109 | 570 | ||
12 | A" | 1469 | 1437 | 0.978 | 109 | 571 | ||
13 | A" | 1069 | 1054 | 0.986 | 109 | 572 | ||
14 | A" | 571 | 567 | 0.993 | 109 | 573 | ||
15 | A" | 65i | 123 | -1.894 | 109 | 574 | ||
CH3COCl | Acetyl Chloride | 1 | A' | 3182 | 3027 | 0.951 | 110 | 575 |
2 | A' | 3072 | 2948 | 0.960 | 110 | 576 | ||
3 | A' | 1946 | 1818 | 0.934 | 110 | 577 | ||
4 | A' | 1466 | 1415 | 0.965 | 110 | 578 | ||
5 | A' | 1393 | 1368 | 0.982 | 110 | 579 | ||
6 | A' | 1127 | 1108 | 0.983 | 110 | 580 | ||
7 | A' | 977 | 956 | 0.979 | 110 | 581 | ||
8 | A' | 619 | 604 | 0.976 | 110 | 582 | ||
9 | A' | 456 | 445 | 0.976 | 110 | 583 | ||
10 | A' | 346 | 348 | 1.006 | 110 | 584 | ||
11 | A" | 3149 | 2990 | 0.949 | 110 | 585 | ||
12 | A" | 1473 | 1431 | 0.971 | 110 | 586 | ||
13 | A" | 1050 | 1032 | 0.983 | 110 | 587 | ||
14 | A" | 526 | 518 | 0.984 | 110 | 588 | ||
15 | A" | 140 | 166 | 1.187 | 110 | 589 | ||
C2H6 | Ethane | 1 | A1g | 3067 | 2954 | 0.963 | 111 | 590 |
2 | A1g | 1425 | 1388 | 0.974 | 111 | 591 | ||
3 | A1g | 1020 | 995 | 0.975 | 111 | 592 | ||
4 | A1u | 308 | 289 | 0.937 | 111 | 593 | ||
5 | A2u | 3069 | 2896 | 0.944 | 111 | 594 | ||
6 | A2u | 1406 | 1379 | 0.981 | 111 | 595 | ||
7 | Eg | 3123 | 2969 | 0.951 | 111 | 596 | ||
8 | Eg | 1508 | 1468 | 0.973 | 111 | 597 | ||
9 | Eg | 1221 | 1190 | 0.974 | 111 | 598 | ||
10 | Eu | 3146 | 2985 | 0.949 | 111 | 599 | ||
11 | Eu | 1511 | 1469 | 0.972 | 111 | 600 | ||
12 | Eu | 823 | 822 | 0.999 | 111 | 601 | ||
C3H5 | Allyl radical | 1 | A1 | 3263 | 3114 | 0.954 | 112 | 602 |
2 | A1 | 3164 | 3048 | 0.963 | 112 | 603 | ||
4 | A1 | 1529 | 1488 | 0.973 | 112 | 604 | ||
5 | A1 | 1286 | 1245 | 0.968 | 112 | 605 | ||
6 | A1 | 1049 | 1066 | 1.016 | 112 | 606 | ||
7 | A1 | 432 | 427 | 0.989 | 112 | 607 | ||
9 | A2 | 567 | 549 | 0.968 | 112 | 608 | ||
10 | B1 | 1024 | 968 | 0.945 | 112 | 609 | ||
11 | B1 | 839 | 802 | 0.956 | 112 | 610 | ||
12 | B1 | 544 | 518 | 0.953 | 112 | 611 | ||
13 | B2 | 3261 | 3105 | 0.952 | 112 | 612 | ||
14 | B2 | 3156 | 3016 | 0.956 | 112 | 613 | ||
15 | B2 | 1503 | 1463 | 0.973 | 112 | 614 | ||
16 | B2 | 1415 | 1389 | 0.981 | 112 | 615 | ||
17 | B2 | 1163 | 1182 | 1.016 | 112 | 616 | ||
CH3COOH | Acetic acid | 1 | A' | 3813 | 3583 | 0.940 | 113 | 617 |
2 | A' | 3182 | 3051 | 0.959 | 113 | 618 | ||
3 | A' | 3067 | 2944 | 0.960 | 113 | 619 | ||
4 | A' | 1887 | 1788 | 0.947 | 113 | 620 | ||
5 | A' | 1470 | 1430 | 0.973 | 113 | 621 | ||
6 | A' | 1420 | 1382 | 0.973 | 113 | 622 | ||
7 | A' | 1350 | 1264 | 0.936 | 113 | 623 | ||
8 | A' | 1228 | 1182 | 0.962 | 113 | 624 | ||
9 | A' | 1002 | 989 | 0.987 | 113 | 625 | ||
10 | A' | 887 | 847 | 0.955 | 113 | 626 | ||
11 | A' | 600 | 657 | 1.096 | 113 | 627 | ||
12 | A' | 423 | 113 | 628 | ||||
13 | A" | 3137 | 2996 | 0.955 | 113 | 629 | ||
14 | A" | 1472 | 1430 | 0.972 | 113 | 630 | ||
15 | A" | 1067 | 1048 | 0.982 | 113 | 631 | ||
16 | A" | 665 | 642 | 0.965 | 113 | 632 | ||
17 | A" | 542 | 534 | 0.986 | 113 | 633 | ||
18 | A" | 120i | 93 | -0.776 | 113 | 634 | ||
CH3OCHO | methyl formate | 1 | A' | 3195 | 3045 | 0.953 | 114 | 635 |
2 | A' | 3125 | 2969 | 0.950 | 114 | 636 | ||
3 | A' | 3077 | 2943 | 0.956 | 114 | 637 | ||
4 | A' | 1858 | 1754 | 0.944 | 114 | 638 | ||
5 | A' | 1506 | 1454 | 0.966 | 114 | 639 | ||
6 | A' | 1481 | 1445 | 0.976 | 114 | 640 | ||
7 | A' | 1418 | 1371 | 0.967 | 114 | 641 | ||
8 | A' | 1271 | 1207 | 0.950 | 114 | 642 | ||
9 | A' | 1210 | 1166 | 0.964 | 114 | 643 | ||
10 | A' | 986 | 925 | 0.938 | 114 | 644 | ||
11 | A' | 795 | 767 | 0.965 | 114 | 645 | ||
12 | A' | 324 | 318 | 0.981 | 114 | 646 | ||
13 | A" | 3150 | 3012 | 0.956 | 114 | 647 | ||
14 | A" | 1502 | 1443 | 0.961 | 114 | 648 | ||
15 | A" | 1188 | 1168 | 0.983 | 114 | 649 | ||
16 | A" | 1060 | 1032 | 0.973 | 114 | 650 | ||
17 | A" | 338 | 332 | 0.983 | 114 | 651 | ||
18 | A" | 198 | 130 | 0.657 | 114 | 652 | ||
C3H3NO | Oxazole | 1 | A' | 3289 | 3170 | 0.964 | 115 | 653 |
2 | A' | 3274 | 3144 | 0.960 | 115 | 654 | ||
3 | A' | 3254 | 3141 | 0.965 | 115 | 655 | ||
4 | A' | 1618 | 1537 | 0.950 | 115 | 656 | ||
5 | A' | 1564 | 1504 | 0.961 | 115 | 657 | ||
6 | A' | 1387 | 1324 | 0.955 | 115 | 658 | ||
7 | A' | 1285 | 1252 | 0.974 | 115 | 659 | ||
8 | A' | 1206 | 1139 | 0.944 | 115 | 660 | ||
9 | A' | 1149 | 1086 | 0.945 | 115 | 661 | ||
10 | A' | 1124 | 1078 | 0.959 | 115 | 662 | ||
11 | A' | 1100 | 1046 | 0.951 | 115 | 663 | ||
12 | A' | 941 | 899 | 0.955 | 115 | 664 | ||
13 | A' | 923 | 854 | 0.925 | 115 | 665 | ||
14 | A" | 905 | 907 | 1.002 | 115 | 666 | ||
15 | A" | 884 | 830 | 0.939 | 115 | 667 | ||
16 | A" | 780 | 750 | 0.962 | 115 | 668 | ||
17 | A" | 674 | 647 | 0.960 | 115 | 669 | ||
18 | A" | 637 | 607 | 0.953 | 115 | 670 | ||
CH3CHF2 | Ethane, 1,1-difluoro- | 1 | A' | 3171 | 3015 | 0.951 | 116 | 671 |
2 | A' | 3106 | 2975 | 0.958 | 116 | 672 | ||
3 | A' | 3085 | 2964 | 0.961 | 116 | 673 | ||
4 | A' | 1488 | 1457 | 0.979 | 116 | 674 | ||
5 | A' | 1451 | 1413 | 0.974 | 116 | 675 | ||
6 | A' | 1394 | 1357 | 0.974 | 116 | 676 | ||
7 | A' | 1186 | 1171 | 0.987 | 116 | 677 | ||
8 | A' | 1163 | 1140 | 0.981 | 116 | 678 | ||
9 | A' | 891 | 868 | 0.975 | 116 | 679 | ||
10 | A' | 577 | 569 | 0.986 | 116 | 680 | ||
11 | A' | 475 | 468 | 0.986 | 116 | 681 | ||
12 | A" | 3173 | 116 | 682 | ||||
13 | A" | 1491 | 116 | 683 | ||||
14 | A" | 1406 | 1362 | 0.969 | 116 | 684 | ||
15 | A" | 1184 | 1135 | 0.959 | 116 | 685 | ||
16 | A" | 974 | 942 | 0.968 | 116 | 686 | ||
17 | A" | 388 | 116 | 687 | ||||
18 | A" | 235 | 116 | 688 | ||||
CH3CH2Cl | Ethyl chloride | 1 | A' | 3130 | 2967 | 0.948 | 117 | 689 |
2 | A' | 3101 | 2946 | 0.950 | 117 | 690 | ||
3 | A' | 3055 | 2881 | 0.943 | 117 | 691 | ||
4 | A' | 1506 | 1463 | 0.972 | 117 | 692 | ||
5 | A' | 1499 | 1448 | 0.966 | 117 | 693 | ||
6 | A' | 1415 | 1385 | 0.979 | 117 | 694 | ||
7 | A' | 1316 | 1289 | 0.979 | 117 | 695 | ||
8 | A' | 1098 | 1081 | 0.984 | 117 | 696 | ||
9 | A' | 996 | 974 | 0.978 | 117 | 697 | ||
10 | A' | 697 | 677 | 0.971 | 117 | 698 | ||
11 | A' | 333 | 336 | 1.010 | 117 | 699 | ||
12 | A" | 3168 | 3014 | 0.951 | 117 | 700 | ||
13 | A" | 3142 | 2986 | 0.950 | 117 | 701 | ||
14 | A" | 1485 | 1448 | 0.975 | 117 | 702 | ||
15 | A" | 1279 | 1251 | 0.978 | 117 | 703 | ||
16 | A" | 1077 | 974 | 0.904 | 117 | 704 | ||
17 | A" | 792 | 786 | 0.992 | 117 | 705 | ||
18 | A" | 247 | 251 | 1.014 | 117 | 706 | ||
C3H6 | Cyclopropane | 1 | A1' | 3175 | 3038 | 0.957 | 118 | 707 |
2 | A1' | 1531 | 1479 | 0.966 | 118 | 708 | ||
3 | A1' | 1242 | 1188 | 0.957 | 118 | 709 | ||
4 | A1" | 1159 | 1126 | 0.971 | 118 | 710 | ||
5 | A2' | 1092 | 1070 | 0.980 | 118 | 711 | ||
6 | A2" | 3267 | 3103 | 0.950 | 118 | 712 | ||
7 | A2" | 864 | 854 | 0.989 | 118 | 713 | ||
8 | E' | 3168 | 3025 | 0.955 | 118 | 714 | ||
9 | E' | 1475 | 1438 | 0.975 | 118 | 715 | ||
10 | E' | 1058 | 1029 | 0.972 | 118 | 716 | ||
11 | E' | 925 | 866 | 0.936 | 118 | 717 | ||
12 | E" | 3248 | 3082 | 0.949 | 118 | 718 | ||
13 | E" | 1213 | 1188 | 0.980 | 118 | 719 | ||
14 | E" | 747 | 739 | 0.990 | 118 | 720 | ||
CH2CHCH3 | Propene | 1 | A' | 3249 | 3090 | 0.951 | 119 | 721 |
2 | A' | 3170 | 3013 | 0.951 | 119 | 722 | ||
3 | A' | 3160 | 2991 | 0.947 | 119 | 723 | ||
4 | A' | 3139 | 2954 | 0.941 | 119 | 724 | ||
5 | A' | 3056 | 2871 | 0.939 | 119 | 725 | ||
6 | A' | 1742 | 1650 | 0.947 | 119 | 726 | ||
7 | A' | 1497 | 1470 | 0.982 | 119 | 727 | ||
8 | A' | 1453 | 1420 | 0.977 | 119 | 728 | ||
9 | A' | 1408 | 1378 | 0.979 | 119 | 729 | ||
10 | A' | 1332 | 1297 | 0.974 | 119 | 730 | ||
11 | A' | 1196 | 1171 | 0.979 | 119 | 731 | ||
12 | A' | 948 | 963 | 1.016 | 119 | 732 | ||
13 | A' | 938 | 920 | 0.981 | 119 | 733 | ||
14 | A' | 430 | 428 | 0.995 | 119 | 734 | ||
15 | A" | 3111 | 2954 | 0.950 | 119 | 735 | ||
16 | A" | 1484 | 1443 | 0.973 | 119 | 736 | ||
17 | A" | 1079 | 1045 | 0.968 | 119 | 737 | ||
18 | A" | 1036 | 991 | 0.957 | 119 | 738 | ||
19 | A" | 965 | 912 | 0.945 | 119 | 739 | ||
20 | A" | 594 | 578 | 0.973 | 119 | 740 | ||
21 | A" | 201 | 174 | 0.867 | 119 | 741 | ||
CH3CH2OH | Ethanol | 1 | A' | 3900 | 3653 | 0.937 | 120 | 742 |
2 | A' | 3148 | 2984 | 0.948 | 120 | 743 | ||
3 | A' | 3072 | 2939 | 0.957 | 120 | 744 | ||
4 | A' | 3023 | 2900 | 0.959 | 120 | 745 | ||
5 | A' | 1539 | 1490 | 0.968 | 120 | 746 | ||
6 | A' | 1505 | 1464 | 0.972 | 120 | 747 | ||
7 | A' | 1463 | 1412 | 0.965 | 120 | 748 | ||
8 | A' | 1401 | 1371 | 0.979 | 120 | 749 | ||
9 | A' | 1276 | 1256 | 0.985 | 120 | 750 | ||
10 | A' | 1139 | 1091 | 0.958 | 120 | 751 | ||
11 | A' | 1053 | 1028 | 0.976 | 120 | 752 | ||
12 | A' | 920 | 888 | 0.965 | 120 | 753 | ||
13 | A' | 422 | 417 | 0.988 | 120 | 754 | ||
14 | A" | 3150 | 2991 | 0.950 | 120 | 755 | ||
15 | A" | 3054 | 2910 | 0.953 | 120 | 756 | ||
16 | A" | 1487 | 1446 | 0.973 | 120 | 757 | ||
17 | A" | 1309 | 1275 | 0.974 | 120 | 758 | ||
18 | A" | 1187 | 1161 | 0.978 | 120 | 759 | ||
19 | A" | 818 | 812 | 0.992 | 120 | 760 | ||
20 | A" | 312 | 251 | 0.805 | 120 | 761 | ||
21 | A" | 252 | 200 | 0.792 | 120 | 762 | ||
CH3OCH3 | Dimethyl ether | 1 | A1 | 3149 | 2996 | 0.951 | 121 | 763 |
2 | A1 | 3011 | 2817 | 0.936 | 121 | 764 | ||
3 | A1 | 1526 | 1464 | 0.959 | 121 | 765 | ||
4 | A1 | 1499 | 1452 | 0.968 | 121 | 766 | ||
5 | A1 | 1282 | 1244 | 0.971 | 121 | 767 | ||
6 | A1 | 988 | 928 | 0.939 | 121 | 768 | ||
7 | A1 | 428 | 418 | 0.978 | 121 | 769 | ||
8 | A2 | 3058 | 2952 | 0.965 | 121 | 770 | ||
9 | A2 | 1493 | 1464 | 0.980 | 121 | 771 | ||
10 | A2 | 1177 | 1150 | 0.977 | 121 | 772 | ||
11 | A2 | 201 | 203 | 1.010 | 121 | 773 | ||
12 | B1 | 3052 | 2925 | 0.958 | 121 | 774 | ||
13 | B1 | 1503 | 1464 | 0.974 | 121 | 775 | ||
14 | B1 | 1208 | 1179 | 0.976 | 121 | 776 | ||
15 | B1 | 260 | 242 | 0.930 | 121 | 777 | ||
16 | B2 | 3148 | 2996 | 0.952 | 121 | 778 | ||
17 | B2 | 3003 | 2817 | 0.938 | 121 | 779 | ||
18 | B2 | 1507 | 1464 | 0.971 | 121 | 780 | ||
19 | B2 | 1466 | 1452 | 0.991 | 121 | 781 | ||
20 | B2 | 1242 | 1227 | 0.988 | 121 | 782 | ||
21 | B2 | 1143 | 1102 | 0.964 | 121 | 783 | ||
CH3CH2SH | ethanethiol | 1 | A' | 3129 | 2966 | 0.948 | 122 | 784 |
1 | A | 3143 | 2980 | 0.948 | 122 | 785 | ||
2 | A | 3125 | 2967 | 0.949 | 122 | 786 | ||
2 | A' | 3085 | 2872 | 0.931 | 122 | 787 | ||
3 | A' | 3055 | 2872 | 0.940 | 122 | 788 | ||
3 | A | 3116 | 2930 | 0.940 | 122 | 789 | ||
4 | A | 3080 | 2902 | 0.942 | 122 | 790 | ||
4 | A' | 2675 | 2580 | 0.965 | 122 | 791 | ||
5 | A' | 1508 | 1453 | 0.963 | 122 | 792 | ||
5 | A | 3050 | 2875 | 0.943 | 122 | 793 | ||
6 | A | 2734 | 2591 | 0.948 | 122 | 794 | ||
6 | A' | 1498 | 1453 | 0.970 | 122 | 795 | ||
7 | A' | 1415 | 1385 | 0.979 | 122 | 796 | ||
7 | A | 1504 | 1462 | 0.972 | 122 | 797 | ||
8 | A | 1494 | 1452 | 0.972 | 122 | 798 | ||
8 | A' | 1299 | 1309 | 1.008 | 122 | 799 | ||
9 | A' | 1120 | 1097 | 0.980 | 122 | 800 | ||
9 | A | 1484 | 1437 | 0.968 | 122 | 801 | ||
10 | A | 1414 | 1377 | 0.974 | 122 | 802 | ||
10 | A' | 1009 | 978 | 0.970 | 122 | 803 | ||
11 | A' | 870 | 870 | 1.000 | 122 | 804 | ||
11 | A | 1306 | 1269 | 0.972 | 122 | 805 | ||
12 | A | 1281 | 1246 | 0.972 | 122 | 806 | ||
12 | A' | 708 | 660 | 0.932 | 122 | 807 | ||
13 | A' | 308 | 332 | 1.079 | 122 | 808 | ||
13 | A | 1122 | 1093 | 0.974 | 122 | 809 | ||
14 | A | 1075 | 1051 | 0.977 | 122 | 810 | ||
14 | A" | 3148 | 2966 | 0.942 | 122 | 811 | ||
15 | A" | 3125 | 2930 | 0.938 | 122 | 812 | ||
15 | A | 998 | 970 | 0.972 | 122 | 813 | ||
16 | A | 860 | 867 | 1.008 | 122 | 814 | ||
16 | A" | 1494 | 1453 | 0.973 | 122 | 815 | ||
17 | A" | 1273 | 1269 | 0.997 | 122 | 816 | ||
17 | A | 733 | 735 | 1.003 | 122 | 817 | ||
18 | A | 676 | 658 | 0.974 | 122 | 818 | ||
18 | A" | 1047 | 1049 | 1.002 | 122 | 819 | ||
19 | A" | 796 | 745 | 0.936 | 122 | 820 | ||
19 | A | 333 | 319 | 0.959 | 122 | 821 | ||
20 | A | 257 | 122 | 822 | ||||
21 | A | 166 | 122 | 823 | ||||
CH3SCH3 | Dimethyl sulfide | 1 | A1 | 3167 | 2997 | 0.946 | 123 | 824 |
2 | A1 | 3063 | 2925 | 0.955 | 123 | 825 | ||
3 | A1 | 1492 | 1447 | 0.970 | 123 | 826 | ||
4 | A1 | 1366 | 1337 | 0.979 | 123 | 827 | ||
5 | A1 | 1052 | 1030 | 0.979 | 123 | 828 | ||
6 | A1 | 719 | 695 | 0.966 | 123 | 829 | ||
7 | A1 | 266 | 280 | 1.053 | 123 | 830 | ||
8 | A2 | 3148 | 2970 | 0.943 | 123 | 831 | ||
9 | A2 | 1468 | 1427 | 0.972 | 123 | 832 | ||
10 | A2 | 955 | 946 | 0.991 | 123 | 833 | ||
11 | A2 | 178 | 175 | 0.984 | 123 | 834 | ||
12 | B1 | 3140 | 2970 | 0.946 | 123 | 835 | ||
13 | B1 | 1478 | 1439 | 0.974 | 123 | 836 | ||
14 | B1 | 989 | 973 | 0.983 | 123 | 837 | ||
15 | B1 | 190 | 183 | 0.963 | 123 | 838 | ||
16 | B2 | 3168 | 2999 | 0.947 | 123 | 839 | ||
17 | B2 | 3067 | 2919 | 0.952 | 123 | 840 | ||
18 | B2 | 1484 | 1442 | 0.971 | 123 | 841 | ||
19 | B2 | 1340 | 1315 | 0.981 | 123 | 842 | ||
20 | B2 | 915 | 903 | 0.986 | 123 | 843 | ||
21 | B2 | 770 | 742 | 0.964 | 123 | 844 | ||
CHCCH2CH3 | 1-Butyne | 1 | A' | 3485 | 3332 | 0.956 | 124 | 845 |
2 | A' | 3149 | 2988 | 0.949 | 124 | 846 | ||
3 | A' | 3075 | 124 | 847 | ||||
4 | A' | 3072 | 124 | 848 | ||||
5 | A' | 2263 | 2116 | 0.935 | 124 | 849 | ||
6 | A' | 1511 | 1470 | 0.973 | 124 | 850 | ||
7 | A' | 1483 | 1446 | 0.975 | 124 | 851 | ||
8 | A' | 1420 | 1385 | 0.975 | 124 | 852 | ||
9 | A' | 1359 | 1322 | 0.973 | 124 | 853 | ||
10 | A' | 1102 | 1070 | 0.971 | 124 | 854 | ||
11 | A' | 1039 | 1008 | 0.970 | 124 | 855 | ||
12 | A' | 862 | 840 | 0.975 | 124 | 856 | ||
13 | A' | 715 | 634 | 0.886 | 124 | 857 | ||
14 | A' | 532 | 509 | 0.957 | 124 | 858 | ||
15 | A' | 208 | 197 | 0.943 | 124 | 859 | ||
16 | A" | 3156 | 2988 | 0.947 | 124 | 860 | ||
17 | A" | 3107 | 2939 | 0.946 | 124 | 861 | ||
18 | A" | 1507 | 1462 | 0.970 | 124 | 862 | ||
19 | A" | 1298 | 1261 | 0.972 | 124 | 863 | ||
20 | A" | 1115 | 1090 | 0.978 | 124 | 864 | ||
21 | A" | 795 | 782 | 0.983 | 124 | 865 | ||
22 | A" | 717 | 630 | 0.879 | 124 | 866 | ||
23 | A" | 378 | 344 | 0.909 | 124 | 867 | ||
24 | A" | 252 | 213 | 0.844 | 124 | 868 | ||
CH2CCHCH3 | 1,2-Butadiene | 1 | A' | 3153 | 3061 | 0.971 | 125 | 869 |
2 | A' | 3139 | 3010 | 0.959 | 125 | 870 | ||
3 | A' | 3134 | 2965 | 0.946 | 125 | 871 | ||
4 | A' | 3054 | 2905 | 0.951 | 125 | 872 | ||
5 | A' | 2091 | 1970 | 0.942 | 125 | 873 | ||
6 | A' | 1513 | 1453 | 0.961 | 125 | 874 | ||
7 | A' | 1480 | 1437 | 0.971 | 125 | 875 | ||
8 | A' | 1408 | 1389 | 0.987 | 125 | 876 | ||
9 | A' | 1362 | 1330 | 0.977 | 125 | 877 | ||
10 | A' | 1157 | 1132 | 0.978 | 125 | 878 | ||
11 | A' | 1098 | 1074 | 0.978 | 125 | 879 | ||
12 | A' | 895 | 876 | 0.979 | 125 | 880 | ||
13 | A' | 890 | 859 | 0.966 | 125 | 881 | ||
14 | A' | 582 | 555 | 0.954 | 125 | 882 | ||
15 | A' | 209 | 210 | 1.003 | 125 | 883 | ||
16 | A" | 3214 | 3061 | 0.952 | 125 | 884 | ||
17 | A" | 3115 | 2965 | 0.952 | 125 | 885 | ||
18 | A" | 1489 | 1453 | 0.976 | 125 | 886 | ||
19 | A" | 1066 | 1110 | 1.041 | 125 | 887 | ||
20 | A" | 1025 | 1011 | 0.986 | 125 | 888 | ||
21 | A" | 901 | 842 | 0.934 | 125 | 889 | ||
22 | A" | 541 | 523 | 0.967 | 125 | 890 | ||
23 | A" | 345 | 322 | 0.933 | 125 | 891 | ||
C4H6 | Cyclobutene | 1 | A1 | 3200 | 3060 | 0.956 | 126 | 892 |
2 | A1 | 3068 | 2935 | 0.957 | 126 | 893 | ||
3 | A1 | 1661 | 1570 | 0.945 | 126 | 894 | ||
4 | A1 | 1490 | 1450 | 0.973 | 126 | 895 | ||
5 | A1 | 1230 | 1276 | 1.037 | 126 | 896 | ||
6 | A1 | 1147 | 1186 | 1.034 | 126 | 897 | ||
7 | A1 | 1010 | 1113 | 1.102 | 126 | 898 | ||
8 | A1 | 917 | 886 | 0.966 | 126 | 899 | ||
9 | A2 | 3108 | 2955 | 0.951 | 126 | 900 | ||
10 | A2 | 1181 | 1276 | 1.080 | 126 | 901 | ||
11 | A2 | 1041 | 1081 | 1.038 | 126 | 902 | ||
12 | A2 | 947 | 850 | 0.897 | 126 | 903 | ||
13 | A2 | 301 | 325 | 1.081 | 126 | 904 | ||
14 | B1 | 3121 | 2955 | 0.947 | 126 | 905 | ||
15 | B1 | 1107 | 1074 | 0.970 | 126 | 906 | ||
16 | B1 | 865 | 846 | 0.978 | 126 | 907 | ||
17 | B1 | 632 | 635 | 1.005 | 126 | 908 | ||
18 | B2 | 3167 | 3047 | 0.962 | 126 | 909 | ||
19 | B2 | 3064 | 2916 | 0.952 | 126 | 910 | ||
20 | B2 | 1466 | 1427 | 0.973 | 126 | 911 | ||
21 | B2 | 1332 | 1294 | 0.971 | 126 | 912 | ||
22 | B2 | 1243 | 1214 | 0.976 | 126 | 913 | ||
23 | B2 | 916 | 888 | 0.970 | 126 | 914 | ||
24 | B2 | 854 | 740 | 0.866 | 126 | 915 | ||
C4H6 | Methylenecyclopropane | 1 | A1 | 3146 | 3010 | 0.957 | 127 | 916 |
2 | A1 | 3130 | 3002 | 0.959 | 127 | 917 | ||
3 | A1 | 1871 | 1743 | 0.931 | 127 | 918 | ||
4 | A1 | 1491 | 1437 | 0.964 | 127 | 919 | ||
5 | A1 | 1448 | 1410 | 0.974 | 127 | 920 | ||
6 | A1 | 1094 | 1036 | 0.947 | 127 | 921 | ||
7 | A1 | 1034 | 1002 | 0.969 | 127 | 922 | ||
8 | A1 | 773 | 723 | 0.935 | 127 | 923 | ||
9 | A2 | 3208 | 3051 | 0.951 | 127 | 924 | ||
10 | A2 | 1169 | 1144 | 0.979 | 127 | 925 | ||
11 | A2 | 963 | 937 | 0.973 | 127 | 926 | ||
12 | A2 | 624 | 616 | 0.987 | 127 | 927 | ||
13 | B1 | 3219 | 3071 | 0.954 | 127 | 928 | ||
14 | B1 | 1101 | 1072 | 0.974 | 127 | 929 | ||
15 | B1 | 959 | 889 | 0.927 | 127 | 930 | ||
16 | B1 | 748 | 748 | 1.000 | 127 | 931 | ||
17 | B1 | 298 | 360 | 1.206 | 127 | 932 | ||
18 | B2 | 3230 | 3086 | 0.955 | 127 | 933 | ||
19 | B2 | 3129 | 2999 | 0.958 | 127 | 934 | ||
20 | B2 | 1450 | 1353 | 0.933 | 127 | 935 | ||
21 | B2 | 1153 | 1174 | 1.018 | 127 | 936 | ||
22 | B2 | 1071 | 1125 | 1.050 | 127 | 937 | ||
23 | B2 | 921 | 792 | 0.860 | 127 | 938 | ||
24 | B2 | 356 | 290 | 0.814 | 127 | 939 | ||
C4H6 | Bicyclo[1.1.0]butane | 1 | A1 | 3268 | 3131 | 0.958 | 128 | 940 |
2 | A1 | 3186 | 3044 | 0.955 | 128 | 941 | ||
3 | A1 | 3081 | 2935 | 0.953 | 128 | 942 | ||
4 | A1 | 1539 | 1501 | 0.976 | 128 | 943 | ||
5 | A1 | 1328 | 1266 | 0.953 | 128 | 944 | ||
6 | A1 | 1118 | 1081 | 0.967 | 128 | 945 | ||
7 | A1 | 932 | 839 | 0.900 | 128 | 946 | ||
8 | A1 | 709 | 657 | 0.926 | 128 | 947 | ||
9 | A1 | 439 | 423 | 0.963 | 128 | 948 | ||
10 | A2 | 1179 | 1172 | 0.994 | 128 | 949 | ||
11 | A2 | 1079 | 1063 | 0.985 | 128 | 950 | ||
12 | A2 | 940 | 909 | 0.966 | 128 | 951 | ||
13 | A2 | 871 | 838 | 0.962 | 128 | 952 | ||
14 | B1 | 3256 | 3120 | 0.958 | 128 | 953 | ||
15 | B1 | 1182 | 1110 | 0.939 | 128 | 954 | ||
16 | B1 | 1132 | 1092 | 0.964 | 128 | 955 | ||
17 | B1 | 1015 | 980 | 0.966 | 128 | 956 | ||
18 | B1 | 777 | 737 | 0.948 | 128 | 957 | ||
19 | B2 | 3189 | 3044 | 0.954 | 128 | 958 | ||
20 | B2 | 3087 | 2969 | 0.962 | 128 | 959 | ||
21 | B2 | 1495 | 1485 | 0.993 | 128 | 960 | ||
22 | B2 | 1337 | 1261 | 0.944 | 128 | 961 | ||
23 | B2 | 1111 | 1081 | 0.972 | 128 | 962 | ||
24 | B2 | 953 | 935 | 0.982 | 128 | 963 | ||
CH3CH2NH2 | Ethylamine | 1 | A' | 3513 | 3345 | 0.952 | 129 | 964 |
2 | A' | 3121 | 2985 | 0.957 | 129 | 965 | ||
3 | A' | 3071 | 2840 | 0.925 | 129 | 966 | ||
4 | A' | 3048 | 2860 | 0.938 | 129 | 967 | ||
5 | A' | 1656 | 1622 | 0.979 | 129 | 968 | ||
6 | A' | 1511 | 1487 | 0.984 | 129 | 969 | ||
7 | A' | 1493 | 1465 | 0.981 | 129 | 970 | ||
8 | A' | 1417 | 1378 | 0.972 | 129 | 971 | ||
9 | A' | 1388 | 1397 | 1.006 | 129 | 972 | ||
10 | A' | 1162 | 1016 | 0.874 | 129 | 973 | ||
11 | A' | 1092 | 1086 | 0.994 | 129 | 974 | ||
12 | A' | 905 | 892 | 0.985 | 129 | 975 | ||
13 | A' | 861 | 773 | 0.898 | 129 | 976 | ||
14 | A' | 407 | 403 | 0.990 | 129 | 977 | ||
15 | A" | 3596 | 3412 | 0.949 | 129 | 978 | ||
16 | A" | 3130 | 2924 | 0.934 | 129 | 979 | ||
17 | A" | 3101 | 2906 | 0.937 | 129 | 980 | ||
18 | A" | 1501 | 1455 | 0.969 | 129 | 981 | ||
19 | A" | 1392 | 1238 | 0.889 | 129 | 982 | ||
20 | A" | 1276 | 1293 | 1.013 | 129 | 983 | ||
21 | A" | 1011 | 1117 | 1.105 | 129 | 984 | ||
22 | A" | 784 | 816 | 1.041 | 129 | 985 | ||
23 | A" | 298 | 259 | 0.871 | 129 | 986 | ||
24 | A" | 258 | 218 | 0.846 | 129 | 987 | ||
C3H6O | 2-Propen-1-ol | 1 | A | 3911 | 3675 | 0.940 | 130 | 988 |
2 | A | 3248 | 3102 | 0.955 | 130 | 989 | ||
3 | A | 3174 | 3022 | 0.952 | 130 | 990 | ||
4 | A | 3157 | 2995 | 0.949 | 130 | 991 | ||
5 | A | 3057 | 2934 | 0.960 | 130 | 992 | ||
6 | A | 3021 | 2866 | 0.949 | 130 | 993 | ||
7 | A | 1753 | 1654 | 0.944 | 130 | 994 | ||
8 | A | 1522 | 1453 | 0.955 | 130 | 995 | ||
9 | A | 1481 | 1414 | 0.954 | 130 | 996 | ||
10 | A | 1431 | 1384 | 0.967 | 130 | 997 | ||
11 | A | 1320 | 1320 | 1.000 | 130 | 998 | ||
12 | A | 1290 | 1293 | 1.002 | 130 | 999 | ||
13 | A | 1246 | 1191 | 0.956 | 130 | 1000 | ||
14 | A | 1171 | 1132 | 0.967 | 130 | 1001 | ||
15 | A | 1113 | 1110 | 0.997 | 130 | 1002 | ||
16 | A | 1051 | 1038 | 0.988 | 130 | 1003 | ||
17 | A | 992 | 995 | 1.003 | 130 | 1004 | ||
18 | A | 977 | 919 | 0.941 | 130 | 1005 | ||
19 | A | 933 | 885 | 0.948 | 130 | 1006 | ||
20 | A | 671 | 606 | 0.903 | 130 | 1007 | ||
22 | A | 346 | 377 | 1.091 | 130 | 1008 | ||
23 | A | 281 | 277 | 0.987 | 130 | 1009 | ||
24 | A | 129 | 188 | 1.459 | 130 | 1010 | ||
CH3CH2CHO | Propanal | 1 | A' | 3144 | 2981 | 0.948 | 131 | 1011 |
2 | A' | 3069 | 2904 | 0.946 | 131 | 1012 | ||
3 | A' | 3049 | 2895 | 0.950 | 131 | 1013 | ||
4 | A' | 2958 | 2809 | 0.950 | 131 | 1014 | ||
5 | A' | 1864 | 1743 | 0.935 | 131 | 1015 | ||
6 | A' | 1500 | 1460 | 0.973 | 131 | 1016 | ||
7 | A' | 1458 | 1416 | 0.971 | 131 | 1017 | ||
8 | A' | 1426 | 1390 | 0.975 | 131 | 1018 | ||
9 | A' | 1410 | 1376 | 0.976 | 131 | 1019 | ||
10 | A' | 1375 | 1335 | 0.971 | 131 | 1020 | ||
11 | A' | 1120 | 1093 | 0.976 | 131 | 1021 | ||
12 | A' | 1007 | 993 | 0.986 | 131 | 1022 | ||
13 | A' | 876 | 848 | 0.968 | 131 | 1023 | ||
14 | A' | 675 | 668 | 0.989 | 131 | 1024 | ||
15 | A' | 259 | 271 | 1.044 | 131 | 1025 | ||
16 | A" | 3144 | 2992 | 0.952 | 131 | 1026 | ||
17 | A" | 3076 | 2942 | 0.957 | 131 | 1027 | ||
18 | A" | 1495 | 1451 | 0.971 | 131 | 1028 | ||
19 | A" | 1284 | 1250 | 0.974 | 131 | 1029 | ||
20 | A" | 1155 | 1118 | 0.968 | 131 | 1030 | ||
21 | A" | 908 | 892 | 0.982 | 131 | 1031 | ||
22 | A" | 675 | 660 | 0.978 | 131 | 1032 | ||
23 | A" | 234 | 220 | 0.939 | 131 | 1033 | ||
24 | A" | 140 | 135 | 0.961 | 131 | 1034 | ||
C3H6S | Thietane | 1 | A' | 3154 | 2994 | 0.949 | 132 | 1035 |
2 | A' | 3124 | 2972 | 0.951 | 132 | 1036 | ||
3 | A' | 3085 | 2946 | 0.955 | 132 | 1037 | ||
4 | A' | 3072 | 2903 | 0.945 | 132 | 1038 | ||
5 | A' | 1511 | 1470 | 0.973 | 132 | 1039 | ||
6 | A' | 1485 | 1452 | 0.978 | 132 | 1040 | ||
7 | A' | 1254 | 1224 | 0.976 | 132 | 1041 | ||
8 | A' | 1211 | 1183 | 0.977 | 132 | 1042 | ||
9 | A' | 988 | 975 | 0.987 | 132 | 1043 | ||
10 | A' | 956 | 933 | 0.976 | 132 | 1044 | ||
11 | A' | 866 | 845 | 0.975 | 132 | 1045 | ||
12 | A' | 715 | 700 | 0.979 | 132 | 1046 | ||
13 | A' | 532 | 529 | 0.995 | 132 | 1047 | ||
14 | A' | 154 | 132 | 1048 | ||||
15 | A" | 3150 | 2994 | 0.950 | 132 | 1049 | ||
16 | A" | 3086 | 2950 | 0.956 | 132 | 1050 | ||
17 | A" | 1483 | 1454 | 0.980 | 132 | 1051 | ||
18 | A" | 1316 | 1281 | 0.973 | 132 | 1052 | ||
19 | A" | 1257 | 1229 | 0.978 | 132 | 1053 | ||
20 | A" | 1191 | 1165 | 0.978 | 132 | 1054 | ||
21 | A" | 1029 | 1011 | 0.983 | 132 | 1055 | ||
22 | A" | 1001 | 986 | 0.985 | 132 | 1056 | ||
23 | A" | 816 | 823 | 1.009 | 132 | 1057 | ||
24 | A" | 709 | 677 | 0.955 | 132 | 1058 | ||
C3H8 | Propane | 1 | A1 | 3134 | 2977 | 0.950 | 133 | 1059 |
2 | A1 | 3062 | 2962 | 0.967 | 133 | 1060 | ||
3 | A1 | 3056 | 2887 | 0.945 | 133 | 1061 | ||
4 | A1 | 1517 | 1476 | 0.973 | 133 | 1062 | ||
5 | A1 | 1495 | 1462 | 0.978 | 133 | 1063 | ||
6 | A1 | 1423 | 1392 | 0.979 | 133 | 1064 | ||
7 | A1 | 1182 | 1158 | 0.980 | 133 | 1065 | ||
8 | A1 | 892 | 869 | 0.974 | 133 | 1066 | ||
9 | A1 | 371 | 369 | 0.994 | 133 | 1067 | ||
10 | A2 | 3119 | 2967 | 0.951 | 133 | 1068 | ||
11 | A2 | 1494 | 1451 | 0.972 | 133 | 1069 | ||
12 | A2 | 1319 | 1278 | 0.969 | 133 | 1070 | ||
13 | A2 | 914 | 940 | 1.029 | 133 | 1071 | ||
14 | A2 | 217 | 216 | 0.996 | 133 | 1072 | ||
15 | B1 | 3129 | 2973 | 0.950 | 133 | 1073 | ||
16 | B1 | 3087 | 2968 | 0.961 | 133 | 1074 | ||
17 | B1 | 1512 | 1472 | 0.974 | 133 | 1075 | ||
18 | B1 | 1216 | 1192 | 0.980 | 133 | 1076 | ||
19 | B1 | 754 | 748 | 0.993 | 133 | 1077 | ||
20 | B1 | 278 | 268 | 0.964 | 133 | 1078 | ||
21 | B2 | 3132 | 2968 | 0.948 | 133 | 1079 | ||
22 | B2 | 3055 | 2887 | 0.945 | 133 | 1080 | ||
23 | B2 | 1500 | 1464 | 0.976 | 133 | 1081 | ||
24 | B2 | 1408 | 1378 | 0.979 | 133 | 1082 | ||
25 | B2 | 1368 | 1338 | 0.978 | 133 | 1083 | ||
26 | B2 | 1078 | 1054 | 0.978 | 133 | 1084 | ||
27 | B2 | 935 | 922 | 0.986 | 133 | 1085 | ||
C3H7N | Cyclopropylamine | 1 | A' | 3528 | 3348 | 0.949 | 134 | 1086 |
2 | A' | 3252 | 3100 | 0.953 | 134 | 1087 | ||
3 | A' | 3157 | 3032 | 0.961 | 134 | 1088 | ||
4 | A' | 3108 | 2975 | 0.957 | 134 | 1089 | ||
5 | A' | 1654 | 1617 | 0.978 | 134 | 1090 | ||
6 | A' | 1517 | 1456 | 0.960 | 134 | 1091 | ||
7 | A' | 1420 | 1374 | 0.968 | 134 | 1092 | ||
8 | A' | 1258 | 1214 | 0.965 | 134 | 1093 | ||
9 | A' | 1189 | 1168 | 0.983 | 134 | 1094 | ||
10 | A' | 1060 | 1150 | 1.085 | 134 | 1095 | ||
11 | A' | 1024 | 1020 | 0.996 | 134 | 1096 | ||
12 | A' | 857 | 989 | 1.155 | 134 | 1097 | ||
13 | A' | 820 | 805 | 0.981 | 134 | 1098 | ||
14 | A' | 774 | 762 | 0.984 | 134 | 1099 | ||
15 | A' | 413 | 408 | 0.988 | 134 | 1100 | ||
16 | A" | 3610 | 3412 | 0.945 | 134 | 1101 | ||
17 | A" | 3240 | 3100 | 0.957 | 134 | 1102 | ||
18 | A" | 3152 | 3023 | 0.959 | 134 | 1103 | ||
19 | A" | 1457 | 1424 | 0.977 | 134 | 1104 | ||
20 | A" | 1270 | 1104 | 0.869 | 134 | 1105 | ||
21 | A" | 1197 | 1045 | 0.873 | 134 | 1106 | ||
22 | A" | 1133 | 1026 | 0.906 | 134 | 1107 | ||
23 | A" | 1069 | 940 | 0.879 | 134 | 1108 | ||
24 | A" | 929 | 884 | 0.952 | 134 | 1109 | ||
25 | A" | 847 | 830 | 0.980 | 134 | 1110 | ||
26 | A" | 405 | 396 | 0.978 | 134 | 1111 | ||
27 | A" | 270 | 254 | 0.941 | 134 | 1112 | ||
CH3CHClCH3 | Propane, 2-chloro- | 1 | A' | 3159 | 3005 | 0.951 | 135 | 1113 |
2 | A' | 3142 | 2955 | 0.941 | 135 | 1114 | ||
3 | A' | 3116 | 2927 | 0.939 | 135 | 1115 | ||
4 | A' | 3065 | 2878 | 0.939 | 135 | 1116 | ||
5 | A' | 1510 | 1472 | 0.975 | 135 | 1117 | ||
6 | A' | 1496 | 1454 | 0.972 | 135 | 1118 | ||
7 | A' | 1423 | 1390 | 0.977 | 135 | 1119 | ||
8 | A' | 1296 | 1270 | 0.980 | 135 | 1120 | ||
9 | A' | 1192 | 1163 | 0.975 | 135 | 1121 | ||
10 | A' | 1088 | 1065 | 0.979 | 135 | 1122 | ||
11 | A' | 914 | 888 | 0.972 | 135 | 1123 | ||
12 | A' | 648 | 633 | 0.977 | 135 | 1124 | ||
13 | A' | 428 | 418 | 0.978 | 135 | 1125 | ||
14 | A' | 343 | 336 | 0.981 | 135 | 1126 | ||
15 | A' | 278 | 253 | 0.909 | 135 | 1127 | ||
16 | A" | 3156 | 2997 | 0.950 | 135 | 1128 | ||
17 | A" | 3133 | 2985 | 0.953 | 135 | 1129 | ||
18 | A" | 3062 | 2947 | 0.962 | 135 | 1130 | ||
19 | A" | 1489 | 1472 | 0.989 | 135 | 1131 | ||
20 | A" | 1484 | 1454 | 0.980 | 135 | 1132 | ||
21 | A" | 1410 | 1377 | 0.977 | 135 | 1133 | ||
22 | A" | 1366 | 1334 | 0.976 | 135 | 1134 | ||
23 | A" | 1162 | 1123 | 0.966 | 135 | 1135 | ||
24 | A" | 962 | 972 | 1.011 | 135 | 1136 | ||
25 | A" | 947 | 936 | 0.988 | 135 | 1137 | ||
26 | A" | 327 | 317 | 0.969 | 135 | 1138 | ||
27 | A" | 243 | 276 | 1.135 | 135 | 1139 | ||
CH2C(CH3)CH3 | 1-Propene, 2-methyl- | 1 | A1 | 3152 | 2989 | 0.948 | 136 | 1140 |
2 | A1 | 3148 | 2941 | 0.934 | 136 | 1141 | ||
3 | A1 | 3049 | 2911 | 0.955 | 136 | 1142 | ||
4 | A1 | 1748 | 1661 | 0.950 | 136 | 1143 | ||
5 | A1 | 1506 | 1470 | 0.976 | 136 | 1144 | ||
6 | A1 | 1448 | 1416 | 0.978 | 136 | 1145 | ||
7 | A1 | 1412 | 1366 | 0.968 | 136 | 1146 | ||
8 | A1 | 1089 | 1064 | 0.977 | 136 | 1147 | ||
9 | A1 | 835 | 801 | 0.959 | 136 | 1148 | ||
10 | A1 | 383 | 383 | 0.999 | 136 | 1149 | ||
11 | A2 | 3099 | 2970 | 0.958 | 136 | 1150 | ||
12 | A2 | 1480 | 1459 | 0.986 | 136 | 1151 | ||
13 | A2 | 1024 | 1076 | 1.051 | 136 | 1152 | ||
14 | A2 | 719 | 136 | 1153 | ||||
15 | A2 | 203 | 193 | 0.950 | 136 | 1154 | ||
16 | B1 | 3101 | 2945 | 0.950 | 136 | 1155 | ||
17 | B1 | 1499 | 1444 | 0.964 | 136 | 1156 | ||
18 | B1 | 1112 | 1079 | 0.971 | 136 | 1157 | ||
19 | B1 | 953 | 890 | 0.934 | 136 | 1158 | ||
20 | B1 | 442 | 429 | 0.972 | 136 | 1159 | ||
21 | B1 | 246 | 196 | 0.797 | 136 | 1160 | ||
22 | B2 | 3236 | 3086 | 0.954 | 136 | 1161 | ||
23 | B2 | 3147 | 2980 | 0.947 | 136 | 1162 | ||
24 | B2 | 3046 | 2893 | 0.950 | 136 | 1163 | ||
25 | B2 | 1488 | 1458 | 0.980 | 136 | 1164 | ||
26 | B2 | 1417 | 1381 | 0.975 | 136 | 1165 | ||
27 | B2 | 1310 | 1282 | 0.979 | 136 | 1166 | ||
28 | B2 | 996 | 1043 | 1.047 | 136 | 1167 | ||
29 | B2 | 973 | 974 | 1.001 | 136 | 1168 | ||
30 | B2 | 445 | 430 | 0.966 | 136 | 1169 | ||
CH3CHCHCH3 | 2-Butene, (Z)- | 1 | A1 | 3162 | 3033 | 0.959 | 137 | 1170 |
2 | A1 | 3147 | 2965 | 0.942 | 137 | 1171 | ||
3 | A1 | 3057 | 2878 | 0.941 | 137 | 1172 | ||
4 | A1 | 1761 | 1669 | 0.948 | 137 | 1173 | ||
5 | A1 | 1499 | 1448 | 0.966 | 137 | 1174 | ||
6 | A1 | 1424 | 1397 | 0.981 | 137 | 1175 | ||
7 | A1 | 1295 | 1261 | 0.974 | 137 | 1176 | ||
8 | A1 | 1032 | 986 | 0.956 | 137 | 1177 | ||
9 | A1 | 885 | 880 | 0.994 | 137 | 1178 | ||
10 | A1 | 295 | 290 | 0.983 | 137 | 1179 | ||
11 | A2 | 3107 | 2988 | 0.962 | 137 | 1180 | ||
12 | A2 | 1486 | 1464 | 0.985 | 137 | 1181 | ||
13 | A2 | 1073 | 1037 | 0.967 | 137 | 1182 | ||
14 | A2 | 1017 | 880 | 0.866 | 137 | 1183 | ||
15 | A2 | 400 | 396 | 0.989 | 137 | 1184 | ||
17 | B1 | 3107 | 2965 | 0.954 | 137 | 1185 | ||
18 | B1 | 1491 | 1448 | 0.971 | 137 | 1186 | ||
19 | B1 | 1068 | 986 | 0.923 | 137 | 1187 | ||
20 | B1 | 697 | 673 | 0.966 | 137 | 1188 | ||
22 | B2 | 3144 | 3033 | 0.965 | 137 | 1189 | ||
23 | B2 | 3126 | 2965 | 0.948 | 137 | 1190 | ||
24 | B2 | 3054 | 2900 | 0.950 | 137 | 1191 | ||
25 | B2 | 1493 | 1448 | 0.970 | 137 | 1192 | ||
26 | B2 | 1446 | 1420 | 0.982 | 137 | 1193 | ||
27 | B2 | 1392 | 1397 | 1.003 | 137 | 1194 | ||
28 | B2 | 1159 | 1135 | 0.979 | 137 | 1195 | ||
29 | B2 | 991 | 986 | 0.995 | 137 | 1196 | ||
30 | B2 | 566 | 583 | 1.030 | 137 | 1197 | ||
N(CH3)3 | Trimethylamine | 1 | A1 | 3081 | 2953 | 0.958 | 138 | 1198 |
2 | A1 | 2958 | 2775 | 0.938 | 138 | 1199 | ||
3 | A1 | 1505 | 1459 | 0.969 | 138 | 1200 | ||
4 | A1 | 1485 | 1444 | 0.972 | 138 | 1201 | ||
5 | A1 | 1212 | 1186 | 0.978 | 138 | 1202 | ||
6 | A1 | 866 | 828 | 0.956 | 138 | 1203 | ||
7 | A1 | 368 | 367 | 0.996 | 138 | 1204 | ||
8 | A2 | 3121 | 2977 | 0.954 | 138 | 1205 | ||
9 | A2 | 1490 | 1453 | 0.975 | 138 | 1206 | ||
10 | A2 | 1070 | 1046 | 0.978 | 138 | 1207 | ||
11 | A2 | 214 | 255 | 1.191 | 138 | 1208 | ||
12 | E | 3124 | 2981 | 0.954 | 138 | 1209 | ||
13 | E | 3078 | 2953 | 0.959 | 138 | 1210 | ||
14 | E | 2951 | 2776 | 0.941 | 138 | 1211 | ||
15 | E | 1515 | 1471 | 0.971 | 138 | 1212 | ||
16 | E | 1484 | 1444 | 0.973 | 138 | 1213 | ||
17 | E | 1440 | 1409 | 0.978 | 138 | 1214 | ||
18 | E | 1324 | 1275 | 0.963 | 138 | 1215 | ||
19 | E | 1123 | 1103 | 0.983 | 138 | 1216 | ||
20 | E | 1079 | 1043 | 0.967 | 138 | 1217 | ||
21 | E | 427 | 424 | 0.991 | 138 | 1218 | ||
22 | E | 262 | 281 | 1.074 | 138 | 1219 | ||
CH3CH(CH3)CH3 | Isobutane | 1 | A1 | 3113 | 2965 | 0.952 | 139 | 1220 |
2 | A1 | 3043 | 2904 | 0.954 | 139 | 1221 | ||
3 | A1 | 3033 | 2880 | 0.950 | 139 | 1222 | ||
4 | A1 | 1513 | 1477 | 0.976 | 139 | 1223 | ||
5 | A1 | 1429 | 1394 | 0.976 | 139 | 1224 | ||
6 | A1 | 1214 | 1177 | 0.970 | 139 | 1225 | ||
7 | A1 | 819 | 797 | 0.973 | 139 | 1226 | ||
8 | A1 | 437 | 426 | 0.975 | 139 | 1227 | ||
9 | A2 | 3118 | 139 | 1228 | ||||
10 | A2 | 1483 | 139 | 1229 | ||||
11 | A2 | 955 | 139 | 1230 | ||||
12 | A2 | 181 | 198 | 1.095 | 139 | 1231 | ||
13 | E | 3121 | 2962 | 0.949 | 139 | 1232 | ||
15 | E | 3105 | 2951 | 0.950 | 139 | 1233 | ||
17 | E | 3037 | 2887 | 0.951 | 139 | 1234 | ||
19 | E | 1510 | 1468 | 0.972 | 139 | 1235 | ||
21 | E | 1487 | 1459 | 0.981 | 139 | 1236 | ||
23 | E | 1402 | 1371 | 0.978 | 139 | 1237 | ||
25 | E | 1361 | 1330 | 0.977 | 139 | 1238 | ||
27 | E | 1202 | 1166 | 0.970 | 139 | 1239 | ||
29 | E | 987 | 961 | 0.974 | 139 | 1240 | ||
31 | E | 923 | 918 | 0.995 | 139 | 1241 | ||
33 | E | 364 | 367 | 1.009 | 139 | 1242 | ||
35 | E | 249 | 280 | 1.123 | 139 | 1243 |
800 | |||||||||||||||||||||||||||||||||||||||||||
700 | |||||||||||||||||||||||||||||||||||||||||||
600 | |||||||||||||||||||||||||||||||||||||||||||
500 | |||||||||||||||||||||||||||||||||||||||||||
400 | |||||||||||||||||||||||||||||||||||||||||||
300 | |||||||||||||||||||||||||||||||||||||||||||
200 | |||||||||||||||||||||||||||||||||||||||||||
100 | |||||||||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||||||||
0.70 | 0.75 | 0.80 | 0.85 | 0.90 | 0.95 | 1.00 | 1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | ||||||||||||||||||||||||||||||
Ratio of experimental frequency to calculated frequency |