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 | ||
0.946 ± 0.018 | 123 | 1127 | cccbdb |
Formula | Name | Mode | Symmetry | Frequency | Count | |||
---|---|---|---|---|---|---|---|---|
Theory | Experiment | ratio | molecules | vibrations | ||||
H2 | Hydrogen diatomic | 1 | Σg | 4504 | 4161 | 0.924 | 1 | 1 |
LiH | Lithium Hydride | 1 | Σ | 1415 | 1360 | 0.961 | 2 | 2 |
Na2 | Sodium diatomic | 1 | Σg | 151 | 158 | 1.044 | 3 | 3 |
BH | Boron monohydride | 1 | Σ | 2396 | 2269 | 0.947 | 4 | 4 |
CN | Cyano radical | 1 | Σ | 2156 | 2042 | 0.947 | 5 | 5 |
N2 | Nitrogen diatomic | 1 | Σg | 2433 | 2330 | 0.958 | 6 | 6 |
1 | Σg | 1797 | 1733 | 0.964 | 6 | 7 | ||
PN | Phosphorus mononitride | 1 | Σ | 1381 | 1323 | 0.958 | 7 | 8 |
OH | Hydroxyl radical | 1 | Σ | 3786 | 3570 | 0.943 | 8 | 9 |
CO | Carbon monoxide | 1 | Σ | 2223 | 2143 | 0.964 | 9 | 10 |
SiO | Silicon monoxide | 1 | Σ | 1285 | 1230 | 0.957 | 10 | 11 |
HS | Mercapto radical | 1 | Σ | 2728 | 2599 | 0.953 | 11 | 12 |
CS | carbon monosulfide | 1 | Σ | 1318 | 1272 | 0.965 | 12 | 13 |
SO | Sulfur monoxide | 1 | Σ | 1178 | 1138 | 0.966 | 13 | 14 |
1 | Σ | 1136 | 1054 | 0.928 | 13 | 15 | ||
SiS | silicon monosulfide | 1 | Σ | 768 | 744 | 0.970 | 14 | 16 |
HF | Hydrogen fluoride | 1 | Σ | 4226 | 3961 | 0.937 | 15 | 17 |
CF | Fluoromethylidyne | 1 | Σ | 1371 | 1286 | 0.938 | 16 | 18 |
F2 | Fluorine diatomic | 1 | Σg | 1007 | 894 | 0.887 | 17 | 19 |
AlF | Aluminum monofluoride | 1 | Σ | 848 | 793 | 0.934 | 18 | 20 |
HCl | Hydrogen chloride | 1 | Σ | 3030 | 2886 | 0.953 | 19 | 21 |
ClO | Monochlorine monoxide | 1 | Σ | 832 | 843 | 1.012 | 20 | 22 |
ClF | Chlorine monofluoride | 1 | Σ | 792 | 773 | 0.977 | 21 | 23 |
NaCl | Sodium Chloride | 1 | Σ | 362 | 361 | 0.998 | 22 | 24 |
Cl2 | Chlorine diatomic | 1 | Σg | 568 | 554 | 0.977 | 23 | 25 |
HCN | Hydrogen cyanide | 1 | Σ | 3519 | 3312 | 0.941 | 24 | 26 |
2 | Σ | 2181 | 2089 | 0.958 | 24 | 27 | ||
3 | Π | 787 | 712 | 0.904 | 24 | 28 | ||
HNC | hydrogen isocyanide | 1 | Σ | 3915 | 3653 | 0.933 | 25 | 29 |
2 | Σ | 2111 | 2029 | 0.961 | 25 | 30 | ||
3 | Π | 550 | 477 | 0.867 | 25 | 31 | ||
HCP | Phosphaethyne | 1 | Σ | 3412 | 3217 | 0.943 | 26 | 32 |
2 | Σ | 1334 | 1278 | 0.958 | 26 | 33 | ||
3 | Π | 748 | 674 | 0.901 | 26 | 34 | ||
H2O | Water | 1 | A1 | 3891 | 3657 | 0.940 | 27 | 35 |
2 | A1 | 1717 | 1595 | 0.929 | 27 | 36 | ||
3 | B2 | 4001 | 3756 | 0.939 | 27 | 37 | ||
HNO | Nitrosyl hydride | 1 | A' | 2996 | 2684 | 0.896 | 28 | 38 |
2 | A' | 1675 | 1565 | 0.935 | 28 | 39 | ||
3 | A' | 1596 | 1501 | 0.941 | 28 | 40 | ||
CO2 | Carbon dioxide | 1 | Σg | 1400 | 1333 | 0.952 | 29 | 41 |
2 | Σu | 2463 | 2349 | 0.954 | 29 | 42 | ||
3 | Πu | 708 | 667 | 0.942 | 29 | 43 | ||
N2O | Nitrous oxide | 1 | Σ | 2378 | 2224 | 0.935 | 30 | 44 |
2 | Σ | 1340 | 1285 | 0.959 | 30 | 45 | ||
3 | Π | 635 | 589 | 0.928 | 30 | 46 | ||
H2S | Hydrogen sulfide | 1 | A1 | 2754 | 2615 | 0.949 | 31 | 47 |
2 | A1 | 1247 | 1183 | 0.948 | 31 | 48 | ||
3 | B2 | 2770 | 2626 | 0.948 | 31 | 49 | ||
HBS | hydrogen boron sulfide | 1 | Σ | 2884 | 2736 | 0.949 | 32 | 50 |
2 | Σ | 1202 | 1172 | 0.975 | 32 | 51 | ||
OCS | Carbonyl sulfide | 1 | Σ | 2169 | 2062 | 0.951 | 33 | 52 |
2 | Σ | 880 | 859 | 0.976 | 33 | 53 | ||
3 | Π | 551 | 520 | 0.944 | 33 | 54 | ||
SO2 | Sulfur dioxide | 1 | A1 | 1216 | 1151 | 0.947 | 34 | 55 |
2 | A1 | 535 | 518 | 0.967 | 34 | 56 | ||
3 | B2 | 1435 | 1362 | 0.949 | 34 | 57 | ||
SSO | Disulfur monoxide | 1 | A' | 1240 | 1166 | 0.941 | 35 | 58 |
2 | A' | 716 | 679 | 0.949 | 35 | 59 | ||
3 | A' | 391 | 380 | 0.972 | 35 | 60 | ||
HOF | Hypofluorous acid | 1 | A' | 3829 | 3578 | 0.934 | 36 | 61 |
2 | A' | 1447 | 1362 | 0.942 | 36 | 62 | ||
3 | A' | 982 | 893 | 0.910 | 36 | 63 | ||
CF2 | Difluoromethylene | 1 | A1 | 1306 | 1225 | 0.938 | 37 | 64 |
2 | A1 | 686 | 667 | 0.972 | 37 | 65 | ||
3 | B2 | 1218 | 1114 | 0.915 | 37 | 66 | ||
FNO | Nitrosyl fluoride | 1 | A' | 1879 | 1844 | 0.981 | 38 | 67 |
2 | A' | 865 | 766 | 0.886 | 38 | 68 | ||
3 | A' | 616 | 520 | 0.844 | 38 | 69 | ||
F2O | Difluorine monoxide | 1 | A1 | 1006 | 928 | 0.922 | 39 | 70 |
2 | A1 | 494 | 461 | 0.934 | 39 | 71 | ||
3 | B2 | 951 | 831 | 0.874 | 39 | 72 | ||
HOCl | hypochlorous acid | 1 | A' | 3855 | 3609 | 0.936 | 40 | 73 |
2 | A' | 1313 | 1239 | 0.944 | 40 | 74 | ||
3 | A' | 751 | 724 | 0.965 | 40 | 75 | ||
ClCN | chlorocyanogen | 1 | Σ | 2333 | 2216 | 0.950 | 41 | 76 |
2 | Σ | 754 | 744 | 0.987 | 41 | 77 | ||
3 | Π | 404 | 378 | 0.935 | 41 | 78 | ||
ClNO | Nitrosyl chloride | 1 | A' | 1879 | 1800 | 0.958 | 42 | 79 |
2 | A' | 633 | 596 | 0.942 | 42 | 80 | ||
3 | A' | 357 | 332 | 0.929 | 42 | 81 | ||
OClO | Chlorine dioxide | 1 | A1 | 1000 | 946 | 0.946 | 43 | 82 |
2 | A1 | 463 | 448 | 0.967 | 43 | 83 | ||
3 | B2 | 1183 | 1110 | 0.939 | 43 | 84 | ||
C2H2 | Acetylene | 1 | Σg | 3579 | 3374 | 0.943 | 44 | 85 |
2 | Σg | 2064 | 1974 | 0.957 | 44 | 86 | ||
3 | Σu | 3479 | 3289 | 0.945 | 44 | 87 | ||
4 | Πg | 550 | 612 | 1.112 | 44 | 88 | ||
5 | Πu | 790 | 730 | 0.924 | 44 | 89 | ||
NH3 | Ammonia | 1 | A1 | 3520 | 3337 | 0.948 | 45 | 90 |
2 | A1 | 1152 | 950 | 0.825 | 45 | 91 | ||
3 | E | 3648 | 3444 | 0.944 | 45 | 92 | ||
4 | E | 1719 | 1627 | 0.947 | 45 | 93 | ||
PH3 | Phosphine | 1 | A1 | 2461 | 2323 | 0.944 | 46 | 94 |
2 | A1 | 1051 | 992 | 0.944 | 46 | 95 | ||
3 | E | 2468 | 2328 | 0.943 | 46 | 96 | ||
4 | E | 1172 | 1118 | 0.954 | 46 | 97 | ||
H2CO | Formaldehyde | 1 | A1 | 2981 | 2782 | 0.933 | 47 | 98 |
2 | A1 | 1841 | 1746 | 0.948 | 47 | 99 | ||
3 | A1 | 1570 | 1500 | 0.955 | 47 | 100 | ||
4 | B1 | 1215 | 1167 | 0.960 | 47 | 101 | ||
5 | B2 | 3045 | 2843 | 0.934 | 47 | 102 | ||
6 | B2 | 1297 | 1249 | 0.963 | 47 | 103 | ||
H2O2 | Hydrogen peroxide | 1 | A | 3852 | 3599 | 0.934 | 48 | 104 |
2 | A | 1479 | 1402 | 0.948 | 48 | 105 | ||
3 | A | 959 | 877 | 0.915 | 48 | 106 | ||
4 | A | 394 | 371 | 0.941 | 48 | 107 | ||
5 | B | 3852 | 3608 | 0.937 | 48 | 108 | ||
6 | B | 1378 | 1266 | 0.919 | 48 | 109 | ||
H2CS | Thioformaldehyde | 1 | A1 | 3138 | 2971 | 0.947 | 49 | 110 |
2 | A1 | 1518 | 1456 | 0.959 | 49 | 111 | ||
3 | A1 | 1101 | 1059 | 0.962 | 49 | 112 | ||
4 | B1 | 1033 | 990 | 0.958 | 49 | 113 | ||
5 | B2 | 3230 | 3025 | 0.937 | 49 | 114 | ||
6 | B2 | 1012 | 991 | 0.979 | 49 | 115 | ||
CF2O | Carbonic difluoride | 1 | A1 | 2039 | 1928 | 0.946 | 50 | 116 |
2 | A1 | 1021 | 965 | 0.945 | 50 | 117 | ||
3 | A1 | 599 | 584 | 0.974 | 50 | 118 | ||
4 | B1 | 823 | 774 | 0.940 | 50 | 119 | ||
5 | B2 | 1353 | 1249 | 0.923 | 50 | 120 | ||
6 | B2 | 639 | 626 | 0.979 | 50 | 121 | ||
BF3 | Borane, trifluoro- | 1 | A1' | 915 | 888 | 0.970 | 51 | 122 |
2 | A2" | 721 | 691 | 0.958 | 51 | 123 | ||
3 | E' | 1528 | 1449 | 0.948 | 51 | 124 | ||
4 | E' | 501 | 480 | 0.958 | 51 | 125 | ||
NF3 | Nitrogen trifluoride | 1 | A1 | 686 | 1032 | 1.503 | 52 | 126 |
2 | A1 | 1109 | 647 | 0.583 | 52 | 127 | ||
3 | E | 521 | 907 | 1.742 | 52 | 128 | ||
4 | E | 1036 | 492 | 0.475 | 52 | 129 | ||
AlF3 | Aluminum trifluoride | 1 | A1' | 720 | 690 | 0.959 | 53 | 130 |
2 | A2" | 310 | 297 | 0.959 | 53 | 131 | ||
3 | E' | 1001 | 935 | 0.934 | 53 | 132 | ||
4 | E' | 246 | 263 | 1.067 | 53 | 133 | ||
PF3 | Phosphorus trifluoride | 1 | A1 | 919 | 892 | 0.971 | 54 | 134 |
2 | A1 | 491 | 487 | 0.992 | 54 | 135 | ||
3 | E | 901 | 860 | 0.955 | 54 | 136 | ||
4 | E | 345 | 344 | 0.997 | 54 | 137 | ||
ClNO2 | Nitryl chloride | 1 | A1 | 1378 | 1267 | 0.919 | 55 | 138 |
2 | A1 | 829 | 793 | 0.956 | 55 | 139 | ||
3 | A1 | 423 | 364 | 0.860 | 55 | 140 | ||
4 | B1 | 698 | 652 | 0.933 | 55 | 141 | ||
5 | B2 | 1814 | 1684 | 0.928 | 55 | 142 | ||
6 | B2 | 430 | 408 | 0.949 | 55 | 143 | ||
ClF3 | Chlorine trifluoride | 1 | A1 | 791 | 752 | 0.951 | 56 | 144 |
2 | A1 | 570 | 529 | 0.927 | 56 | 145 | ||
3 | A1 | 352 | 328 | 0.931 | 56 | 146 | ||
4 | B1 | 335 | 328 | 0.980 | 56 | 147 | ||
5 | B2 | 757 | 702 | 0.928 | 56 | 148 | ||
6 | B2 | 453 | 442 | 0.976 | 56 | 149 | ||
CCl2O | Phosgene | 1 | A1 | 1919 | 1827 | 0.952 | 57 | 150 |
2 | A1 | 591 | 567 | 0.960 | 57 | 151 | ||
3 | A1 | 306 | 285 | 0.930 | 57 | 152 | ||
4 | B1 | 602 | 580 | 0.963 | 57 | 153 | ||
5 | B2 | 892 | 849 | 0.952 | 57 | 154 | ||
6 | B2 | 456 | 440 | 0.966 | 57 | 155 | ||
PCl3 | Phosphorus trichloride | 1 | A1 | 531 | 504 | 0.949 | 58 | 156 |
2 | A1 | 265 | 252 | 0.951 | 58 | 157 | ||
3 | E | 527 | 482 | 0.914 | 58 | 158 | ||
4 | E | 190 | 198 | 1.041 | 58 | 159 | ||
CH4 | Methane | 1 | A1 | 3085 | 2917 | 0.946 | 59 | 160 |
2 | E | 1595 | 1534 | 0.962 | 59 | 161 | ||
3 | T2 | 3210 | 3019 | 0.941 | 59 | 162 | ||
4 | T2 | 1375 | 1306 | 0.950 | 59 | 163 | ||
CH2NH | Methanimine | 1 | A' | 3500 | 3263 | 0.932 | 60 | 164 |
2 | A' | 3202 | 3024 | 0.945 | 60 | 165 | ||
3 | A' | 3103 | 2914 | 0.939 | 60 | 166 | ||
4 | A' | 1722 | 1638 | 0.951 | 60 | 167 | ||
5 | A' | 1511 | 1452 | 0.961 | 60 | 168 | ||
6 | A' | 1398 | 1344 | 0.962 | 60 | 169 | ||
7 | A' | 1086 | 1058 | 0.974 | 60 | 170 | ||
8 | A" | 1184 | 1127 | 0.952 | 60 | 171 | ||
9 | A" | 1101 | 1061 | 0.964 | 60 | 172 | ||
NH2OH | hydroxylamine | 1 | A' | 3899 | 3650 | 0.936 | 61 | 173 |
2 | A' | 3497 | 3294 | 0.942 | 61 | 174 | ||
3 | A' | 1708 | 1605 | 0.940 | 61 | 175 | ||
4 | A' | 1456 | 1353 | 0.930 | 61 | 176 | ||
5 | A' | 1200 | 1115 | 0.929 | 61 | 177 | ||
6 | A' | 986 | 895 | 0.908 | 61 | 178 | ||
7 | A" | 3583 | 3359 | 0.937 | 61 | 179 | ||
8 | A" | 1367 | 1295 | 0.947 | 61 | 180 | ||
9 | A" | 401 | 386 | 0.963 | 61 | 181 | ||
CH2CO | Ketene | 1 | A1 | 3250 | 3070 | 0.945 | 62 | 182 |
2 | A1 | 2265 | 2152 | 0.950 | 62 | 183 | ||
3 | A1 | 1442 | 1388 | 0.962 | 62 | 184 | ||
4 | A1 | 1184 | 1118 | 0.944 | 62 | 185 | ||
5 | B1 | 618 | 588 | 0.952 | 62 | 186 | ||
6 | B1 | 567 | 528 | 0.931 | 62 | 187 | ||
7 | B2 | 3357 | 3166 | 0.943 | 62 | 188 | ||
8 | B2 | 1018 | 977 | 0.960 | 62 | 189 | ||
9 | B2 | 455 | 433 | 0.951 | 62 | 190 | ||
HCOOH | Formic acid | 1 | A' | 3823 | 3570 | 0.934 | 63 | 191 |
2 | A' | 3125 | 2943 | 0.942 | 63 | 192 | ||
3 | A' | 1886 | 1770 | 0.939 | 63 | 193 | ||
4 | A' | 1446 | 1387 | 0.959 | 63 | 194 | ||
5 | A' | 1356 | 1229 | 0.906 | 63 | 195 | ||
6 | A' | 1171 | 1105 | 0.944 | 63 | 196 | ||
7 | A' | 641 | 625 | 0.974 | 63 | 197 | ||
8 | A" | 1093 | 1033 | 0.945 | 63 | 198 | ||
9 | A" | 691 | 638 | 0.923 | 63 | 199 | ||
HNO3 | Nitric acid | 1 | A' | 3807 | 3550 | 0.932 | 64 | 200 |
2 | A' | 1842 | 1708 | 0.927 | 64 | 201 | ||
3 | A' | 1431 | 1331 | 0.930 | 64 | 202 | ||
4 | A' | 1390 | 1325 | 0.953 | 64 | 203 | ||
5 | A' | 987 | 879 | 0.890 | 64 | 204 | ||
6 | A' | 703 | 647 | 0.920 | 64 | 205 | ||
7 | A' | 613 | 579 | 0.945 | 64 | 206 | ||
8 | A" | 818 | 762 | 0.932 | 64 | 207 | ||
9 | A" | 514 | 456 | 0.887 | 64 | 208 | ||
CH3F | Methyl fluoride | 1 | A1 | 3097 | 2930 | 0.946 | 65 | 209 |
2 | A1 | 1528 | 1464 | 0.958 | 65 | 210 | ||
3 | A1 | 1078 | 1049 | 0.973 | 65 | 211 | ||
4 | E | 3189 | 3006 | 0.943 | 65 | 212 | ||
5 | E | 1529 | 1467 | 0.959 | 65 | 213 | ||
6 | E | 1221 | 1182 | 0.968 | 65 | 214 | ||
CH2F2 | Methane, difluoro- | 1 | A1 | 3099 | 2948 | 0.951 | 66 | 215 |
2 | A1 | 1582 | 1508 | 0.953 | 66 | 216 | ||
3 | A1 | 1173 | 1111 | 0.947 | 66 | 217 | ||
4 | A1 | 544 | 529 | 0.972 | 66 | 218 | ||
5 | A2 | 1317 | 1262 | 0.958 | 66 | 219 | ||
6 | B1 | 3164 | 3014 | 0.953 | 66 | 220 | ||
7 | B1 | 1225 | 1178 | 0.962 | 66 | 221 | ||
8 | B2 | 1528 | 1435 | 0.939 | 66 | 222 | ||
9 | B2 | 1192 | 1090 | 0.914 | 66 | 223 | ||
CHF3 | Methane, trifluoro- | 1 | A1 | 3174 | 3036 | 0.957 | 67 | 224 |
2 | A1 | 1192 | 1117 | 0.937 | 67 | 225 | ||
3 | A1 | 724 | 700 | 0.967 | 67 | 226 | ||
4 | E | 1466 | 1372 | 0.936 | 67 | 227 | ||
5 | E | 1248 | 1152 | 0.923 | 67 | 228 | ||
6 | E | 521 | 507 | 0.972 | 67 | 229 | ||
SiH3F | monofluorosilane | 1 | A1 | 2305 | 2206 | 0.957 | 68 | 230 |
2 | A1 | 1030 | 990 | 0.961 | 68 | 231 | ||
3 | A1 | 900 | 872 | 0.969 | 68 | 232 | ||
4 | E | 2308 | 2196 | 0.951 | 68 | 233 | ||
6 | E | 993 | 956 | 0.962 | 68 | 234 | ||
8 | E | 745 | 728 | 0.977 | 68 | 235 | ||
CH3Cl | Methyl chloride | 1 | A1 | 3125 | 2966 | 0.949 | 69 | 236 |
2 | A1 | 1417 | 1355 | 0.956 | 69 | 237 | ||
3 | A1 | 764 | 732 | 0.959 | 69 | 238 | ||
4 | E | 3231 | 3042 | 0.941 | 69 | 239 | ||
5 | E | 1515 | 1455 | 0.960 | 69 | 240 | ||
6 | E | 1053 | 1015 | 0.964 | 69 | 241 | ||
SiH3Cl | chlorosilane | 1 | A1 | 2308 | 2201 | 0.954 | 70 | 242 |
2 | A1 | 980 | 949 | 0.968 | 70 | 243 | ||
3 | A1 | 558 | 551 | 0.987 | 70 | 244 | ||
4 | E | 2320 | 2195 | 0.946 | 70 | 245 | ||
5 | E | 985 | 954 | 0.968 | 70 | 246 | ||
6 | E | 679 | 664 | 0.978 | 70 | 247 | ||
CH2Cl2 | Methylene chloride | 1 | A1 | 3175 | 2999 | 0.944 | 71 | 248 |
2 | A1 | 1498 | 1467 | 0.979 | 71 | 249 | ||
3 | A1 | 739 | 717 | 0.970 | 71 | 250 | ||
4 | A1 | 290 | 282 | 0.972 | 71 | 251 | ||
5 | A2 | 1204 | 1153 | 0.958 | 71 | 252 | ||
6 | B1 | 3255 | 3040 | 0.934 | 71 | 253 | ||
7 | B1 | 923 | 898 | 0.973 | 71 | 254 | ||
8 | B2 | 1325 | 1268 | 0.957 | 71 | 255 | ||
9 | B2 | 806 | 758 | 0.941 | 71 | 256 | ||
SiH2Cl2 | dichlorosilane | 1 | A1 | 2333 | 2224 | 0.953 | 72 | 257 |
2 | A1 | 985 | 954 | 0.969 | 72 | 258 | ||
3 | A1 | 536 | 527 | 0.984 | 72 | 259 | ||
4 | A1 | 188 | 188 | 0.998 | 72 | 260 | ||
5 | A2 | 733 | 710 | 0.969 | 72 | 261 | ||
6 | B1 | 2348 | 2237 | 0.953 | 72 | 262 | ||
7 | B1 | 613 | 602 | 0.982 | 72 | 263 | ||
8 | B2 | 904 | 876 | 0.969 | 72 | 264 | ||
9 | B2 | 600 | 590 | 0.983 | 72 | 265 | ||
CHCl3 | Chloroform | 1 | A1 | 3230 | 3034 | 0.939 | 73 | 266 |
2 | A1 | 692 | 680 | 0.983 | 73 | 267 | ||
3 | A1 | 376 | 366 | 0.972 | 73 | 268 | ||
4 | E | 1274 | 1220 | 0.958 | 73 | 269 | ||
5 | E | 822 | 774 | 0.941 | 73 | 270 | ||
6 | E | 267 | 260 | 0.973 | 73 | 271 | ||
CF2Cl2 | difluorodichloromethane | 1 | A1 | 1189 | 1101 | 0.926 | 74 | 272 |
2 | A1 | 689 | 667 | 0.967 | 74 | 273 | ||
3 | A1 | 471 | 458 | 0.973 | 74 | 274 | ||
4 | A1 | 266 | 262 | 0.985 | 74 | 275 | ||
5 | A2 | 330 | 322 | 0.975 | 74 | 276 | ||
6 | B1 | 948 | 902 | 0.951 | 74 | 277 | ||
7 | B1 | 449 | 437 | 0.973 | 74 | 278 | ||
8 | B2 | 1277 | 1159 | 0.908 | 74 | 279 | ||
9 | B2 | 444 | 446 | 1.005 | 74 | 280 | ||
SiHCl3 | Trichlorosilane | 1 | A1 | 2366 | 2261 | 0.956 | 75 | 281 |
2 | A1 | 503 | 499 | 0.992 | 75 | 282 | ||
3 | A1 | 255 | 254 | 0.997 | 75 | 283 | ||
4 | E | 828 | 811 | 0.979 | 75 | 284 | ||
5 | E | 614 | 600 | 0.977 | 75 | 285 | ||
6 | E | 175 | 176 | 1.004 | 75 | 286 | ||
C2H4 | Ethylene | 1 | Ag | 3208 | 3026 | 0.943 | 76 | 287 |
2 | Ag | 1706 | 1623 | 0.951 | 76 | 288 | ||
3 | Ag | 1396 | 1342 | 0.961 | 76 | 289 | ||
4 | Au | 1073 | 1023 | 0.953 | 76 | 290 | ||
5 | B1u | 3189 | 2989 | 0.937 | 76 | 291 | ||
6 | B1u | 1494 | 1444 | 0.966 | 76 | 292 | ||
7 | B2g | 971 | 940 | 0.968 | 76 | 293 | ||
8 | B2u | 3295 | 3105 | 0.942 | 76 | 294 | ||
9 | B2u | 833 | 826 | 0.992 | 76 | 295 | ||
10 | B3g | 3270 | 3086 | 0.944 | 76 | 296 | ||
11 | B3g | 1256 | 1217 | 0.969 | 76 | 297 | ||
12 | B3u | 993 | 949 | 0.956 | 76 | 298 | ||
N2H4 | Hydrazine | 1 | A | 3619 | 3398 | 0.939 | 77 | 299 |
2 | A | 3523 | 3329 | 0.945 | 77 | 300 | ||
3 | A | 1723 | 1642 | 0.953 | 77 | 301 | ||
4 | A | 1380 | 1275 | 0.924 | 77 | 302 | ||
5 | A | 1159 | 1076 | 0.929 | 77 | 303 | ||
6 | A | 897 | 780 | 0.870 | 77 | 304 | ||
7 | A | 414 | 377 | 0.910 | 77 | 305 | ||
8 | B | 3624 | 3350 | 0.924 | 77 | 306 | ||
9 | B | 3512 | 3314 | 0.944 | 77 | 307 | ||
10 | B | 1711 | 1628 | 0.951 | 77 | 308 | ||
11 | B | 1339 | 1275 | 0.952 | 77 | 309 | ||
12 | B | 1076 | 966 | 0.898 | 77 | 310 | ||
CH3CN | Acetonitrile | 1 | A1 | 3112 | 2954 | 0.949 | 78 | 311 |
2 | A1 | 2377 | 2267 | 0.954 | 78 | 312 | ||
3 | A1 | 1442 | 1385 | 0.961 | 78 | 313 | ||
4 | A1 | 935 | 920 | 0.984 | 78 | 314 | ||
5 | E | 3198 | 3009 | 0.941 | 78 | 315 | ||
6 | E | 1507 | 1448 | 0.961 | 78 | 316 | ||
7 | E | 1079 | 1041 | 0.965 | 78 | 317 | ||
8 | E | 385 | 362 | 0.941 | 78 | 318 | ||
CH3OH | Methyl alcohol | 1 | A' | 3919 | 3681 | 0.939 | 79 | 319 |
2 | A' | 3176 | 3000 | 0.945 | 79 | 320 | ||
3 | A' | 3054 | 2844 | 0.931 | 79 | 321 | ||
4 | A' | 1550 | 1477 | 0.953 | 79 | 322 | ||
5 | A' | 1520 | 1455 | 0.957 | 79 | 323 | ||
6 | A' | 1421 | 1345 | 0.947 | 79 | 324 | ||
7 | A' | 1119 | 1060 | 0.948 | 79 | 325 | ||
8 | A' | 1087 | 1033 | 0.950 | 79 | 326 | ||
9 | A" | 3110 | 2960 | 0.952 | 79 | 327 | ||
10 | A" | 1534 | 1477 | 0.963 | 79 | 328 | ||
11 | A" | 1202 | 1165 | 0.969 | 79 | 329 | ||
12 | A" | 325 | 200 | 0.616 | 79 | 330 | ||
CHONH2 | formamide | 1 | A' | 3818 | 3564 | 0.933 | 80 | 331 |
2 | A' | 3675 | 3439 | 0.936 | 80 | 332 | ||
3 | A' | 3027 | 2854 | 0.943 | 80 | 333 | ||
4 | A' | 1867 | 1754 | 0.939 | 80 | 334 | ||
5 | A' | 1642 | 1577 | 0.961 | 80 | 335 | ||
6 | A' | 1460 | 1390 | 0.952 | 80 | 336 | ||
7 | A' | 1296 | 1258 | 0.971 | 80 | 337 | ||
8 | A' | 1073 | 1046 | 0.975 | 80 | 338 | ||
9 | A' | 569 | 581 | 1.021 | 80 | 339 | ||
10 | A" | 1086 | 1021 | 0.940 | 80 | 340 | ||
11 | A" | 645 | 603 | 0.934 | 80 | 341 | ||
12 | A" | 138i | 289 | -2.098 | 80 | 342 | ||
CH3SH | Methanethiol | 1 | A' | 3207 | 3000 | 0.935 | 81 | 343 |
2 | A' | 3112 | 2931 | 0.942 | 81 | 344 | ||
3 | A' | 2749 | 2597 | 0.945 | 81 | 345 | ||
4 | A' | 1521 | 1475 | 0.970 | 81 | 346 | ||
5 | A' | 1396 | 1335 | 0.956 | 81 | 347 | ||
6 | A' | 1121 | 1074 | 0.958 | 81 | 348 | ||
7 | A' | 814 | 803 | 0.987 | 81 | 349 | ||
8 | A' | 738 | 708 | 0.959 | 81 | 350 | ||
9 | A" | 3208 | 3000 | 0.935 | 81 | 351 | ||
10 | A" | 1509 | 1430 | 0.947 | 81 | 352 | ||
11 | A" | 995 | 976 | 0.981 | 81 | 353 | ||
CH2CHF | Ethene, fluoro- | 1 | A' | 3327 | 3115 | 0.936 | 82 | 354 |
2 | A' | 3256 | 3080 | 0.946 | 82 | 355 | ||
3 | A' | 3223 | 3052 | 0.947 | 82 | 356 | ||
4 | A' | 1751 | 1654 | 0.945 | 82 | 357 | ||
5 | A' | 1446 | 1380 | 0.954 | 82 | 358 | ||
6 | A' | 1362 | 1306 | 0.959 | 82 | 359 | ||
7 | A' | 1210 | 1156 | 0.955 | 82 | 360 | ||
8 | A' | 965 | 929 | 0.962 | 82 | 361 | ||
9 | A' | 485 | 483 | 0.996 | 82 | 362 | ||
10 | A" | 994 | 940 | 0.945 | 82 | 363 | ||
11 | A" | 898 | 863 | 0.961 | 82 | 364 | ||
12 | A" | 748 | 711 | 0.951 | 82 | 365 | ||
CH2CF2 | Ethene, 1,1-difluoro- | 1 | A1 | 3251 | 3070 | 0.944 | 83 | 366 |
2 | A1 | 1832 | 1728 | 0.943 | 83 | 367 | ||
3 | A1 | 1434 | 1360 | 0.948 | 83 | 368 | ||
4 | A1 | 970 | 926 | 0.954 | 83 | 369 | ||
5 | A1 | 565 | 550 | 0.974 | 83 | 370 | ||
6 | A2 | 746 | 714 | 0.957 | 83 | 371 | ||
7 | B1 | 843 | 803 | 0.952 | 83 | 372 | ||
8 | B1 | 662 | 611 | 0.923 | 83 | 373 | ||
9 | B2 | 3358 | 3154 | 0.939 | 83 | 374 | ||
10 | B2 | 1403 | 1302 | 0.928 | 83 | 375 | ||
11 | B2 | 991 | 955 | 0.964 | 83 | 376 | ||
12 | B2 | 442 | 438 | 0.991 | 83 | 377 | ||
C2H3Cl | Ethene, chloro- | 1 | A' | 3311 | 3121 | 0.943 | 84 | 378 |
2 | A' | 3274 | 3086 | 0.943 | 84 | 379 | ||
3 | A' | 3212 | 3030 | 0.943 | 84 | 380 | ||
4 | A' | 1693 | 1608 | 0.950 | 84 | 381 | ||
5 | A' | 1429 | 1368 | 0.957 | 84 | 382 | ||
6 | A' | 1324 | 1279 | 0.966 | 84 | 383 | ||
7 | A' | 1058 | 1030 | 0.973 | 84 | 384 | ||
8 | A' | 742 | 720 | 0.971 | 84 | 385 | ||
9 | A' | 399 | 395 | 0.989 | 84 | 386 | ||
10 | A" | 995 | 941 | 0.946 | 84 | 387 | ||
11 | A" | 943 | 896 | 0.950 | 84 | 388 | ||
12 | A" | 640 | 620 | 0.968 | 84 | 389 | ||
CH2CCl2 | Ethene, 1,1-dichloro- | 1 | A1 | 3225 | 3035 | 0.941 | 85 | 390 |
2 | A1 | 1700 | 1627 | 0.957 | 85 | 391 | ||
3 | A1 | 1429 | 1400 | 0.979 | 85 | 392 | ||
4 | A1 | 620 | 603 | 0.972 | 85 | 393 | ||
5 | A1 | 302 | 299 | 0.990 | 85 | 394 | ||
6 | A2 | 716 | 686 | 0.959 | 85 | 395 | ||
7 | B1 | 927 | 875 | 0.944 | 85 | 396 | ||
8 | B1 | 473 | 460 | 0.973 | 85 | 397 | ||
9 | B2 | 3328 | 3130 | 0.941 | 85 | 398 | ||
10 | B2 | 1133 | 1095 | 0.966 | 85 | 399 | ||
11 | B2 | 829 | 800 | 0.965 | 85 | 400 | ||
12 | B2 | 377 | 372 | 0.986 | 85 | 401 | ||
CHClCHCl | Ethene, 1,2-dichloro-, (Z)- | 1 | A1 | 3286 | 3077 | 0.936 | 86 | 402 |
2 | A1 | 1693 | 1587 | 0.938 | 86 | 403 | ||
3 | A1 | 1230 | 1179 | 0.959 | 86 | 404 | ||
4 | A1 | 740 | 711 | 0.961 | 86 | 405 | ||
5 | A1 | 170 | 173 | 1.015 | 86 | 406 | ||
6 | A2 | 926 | 876 | 0.945 | 86 | 407 | ||
7 | A2 | 420 | 406 | 0.967 | 86 | 408 | ||
8 | B1 | 735 | 697 | 0.949 | 86 | 409 | ||
9 | B2 | 3264 | 3072 | 0.941 | 86 | 410 | ||
10 | B2 | 1343 | 1303 | 0.970 | 86 | 411 | ||
11 | B2 | 883 | 857 | 0.970 | 86 | 412 | ||
12 | B2 | 582 | 571 | 0.982 | 86 | 413 | ||
CH3CCH | propyne | 1 | A1 | 3532 | 3334 | 0.944 | 87 | 414 |
2 | A1 | 3095 | 2918 | 0.943 | 87 | 415 | ||
3 | A1 | 2248 | 2124 | 0.945 | 87 | 416 | ||
4 | A1 | 1446 | 1382 | 0.956 | 87 | 417 | ||
5 | A1 | 949 | 931 | 0.981 | 87 | 418 | ||
6 | E | 3171 | 3008 | 0.949 | 87 | 419 | ||
7 | E | 1514 | 1452 | 0.959 | 87 | 420 | ||
8 | E | 1073 | 1053 | 0.981 | 87 | 421 | ||
9 | E | 627 | 633 | 1.010 | 87 | 422 | ||
10 | E | 328 | 328 | 1.000 | 87 | 423 | ||
CH3NH2 | methyl amine | 1 | A' | 3553 | 3361 | 0.946 | 88 | 424 |
2 | A' | 3130 | 2961 | 0.946 | 88 | 425 | ||
3 | A' | 3045 | 2820 | 0.926 | 88 | 426 | ||
4 | A' | 1701 | 1623 | 0.954 | 88 | 427 | ||
5 | A' | 1536 | 1473 | 0.959 | 88 | 428 | ||
6 | A' | 1493 | 1430 | 0.958 | 88 | 429 | ||
7 | A' | 1211 | 1130 | 0.933 | 88 | 430 | ||
8 | A' | 1088 | 1044 | 0.959 | 88 | 431 | ||
9 | A' | 898 | 780 | 0.868 | 88 | 432 | ||
10 | A" | 3634 | 3427 | 0.943 | 88 | 433 | ||
11 | A" | 3168 | 2985 | 0.942 | 88 | 434 | ||
12 | A" | 1553 | 1485 | 0.956 | 88 | 435 | ||
13 | A" | 1382 | 1335 | 0.966 | 88 | 436 | ||
14 | A" | 992 | 88 | 437 | ||||
15 | A" | 321 | 268 | 0.836 | 88 | 438 | ||
C3H3N | acrylonitrile | 1 | A' | 3308 | 3125 | 0.945 | 89 | 439 |
2 | A' | 3248 | 3078 | 0.948 | 89 | 440 | ||
3 | A' | 3211 | 3042 | 0.947 | 89 | 441 | ||
4 | A' | 2359 | 2239 | 0.949 | 89 | 442 | ||
5 | A' | 1702 | 1615 | 0.949 | 89 | 443 | ||
6 | A' | 1465 | 1416 | 0.967 | 89 | 444 | ||
7 | A' | 1337 | 1282 | 0.959 | 89 | 445 | ||
8 | A' | 1120 | 1096 | 0.978 | 89 | 446 | ||
9 | A' | 883 | 869 | 0.984 | 89 | 447 | ||
10 | A' | 575 | 570 | 0.992 | 89 | 448 | ||
11 | A' | 237 | 242 | 1.020 | 89 | 449 | ||
12 | A" | 1023 | 972 | 0.950 | 89 | 450 | ||
13 | A" | 1001 | 954 | 0.953 | 89 | 451 | ||
14 | A" | 715 | 683 | 0.955 | 89 | 452 | ||
15 | A" | 356 | 362 | 1.016 | 89 | 453 | ||
CH3PH2 | Methyl phosphine | 1 | A' | 3200 | 3000 | 0.937 | 90 | 454 |
2 | A' | 3102 | 2938 | 0.947 | 90 | 455 | ||
3 | A' | 2448 | 2297 | 0.938 | 90 | 456 | ||
4 | A' | 1509 | 1450 | 0.961 | 90 | 457 | ||
5 | A' | 1364 | 1238 | 0.907 | 90 | 458 | ||
6 | A' | 1151 | 1086 | 0.944 | 90 | 459 | ||
7 | A' | 1020 | 977 | 0.958 | 90 | 460 | ||
8 | A' | 753 | 740 | 0.982 | 90 | 461 | ||
9 | A' | 700 | 677 | 0.967 | 90 | 462 | ||
10 | A" | 3186 | 2992 | 0.939 | 90 | 463 | ||
11 | A" | 2453 | 2312 | 0.942 | 90 | 464 | ||
12 | A" | 1513 | 1450 | 0.959 | 90 | 465 | ||
13 | A" | 1057 | 1017 | 0.962 | 90 | 466 | ||
15 | A" | 236 | 207 | 0.876 | 90 | 467 | ||
CH3CHO | Acetaldehyde | 1 | A' | 3207 | 3014 | 0.940 | 91 | 468 |
2 | A' | 3087 | 2923 | 0.947 | 91 | 469 | ||
3 | A' | 2971 | 2716 | 0.914 | 91 | 470 | ||
4 | A' | 1857 | 1743 | 0.939 | 91 | 471 | ||
5 | A' | 1496 | 1433 | 0.958 | 91 | 472 | ||
6 | A' | 1459 | 1395 | 0.956 | 91 | 473 | ||
7 | A' | 1411 | 1352 | 0.958 | 91 | 474 | ||
8 | A' | 1148 | 1114 | 0.971 | 91 | 475 | ||
9 | A' | 908 | 867 | 0.955 | 91 | 476 | ||
10 | A' | 506 | 509 | 1.006 | 91 | 477 | ||
11 | A" | 3159 | 2964 | 0.938 | 91 | 478 | ||
12 | A" | 1504 | 1431 | 0.951 | 91 | 479 | ||
13 | A" | 1157 | 1102 | 0.953 | 91 | 480 | ||
14 | A" | 790 | 764 | 0.967 | 91 | 481 | ||
15 | A" | 163 | 150 | 0.918 | 91 | 482 | ||
C2H4O | Ethylene oxide | 1 | A1 | 3160 | 3006 | 0.951 | 92 | 483 |
2 | A1 | 1573 | 1467 | 0.933 | 92 | 484 | ||
3 | A1 | 1331 | 1267 | 0.952 | 92 | 485 | ||
4 | A1 | 1189 | 1146 | 0.964 | 92 | 486 | ||
5 | A1 | 930 | 857 | 0.921 | 92 | 487 | ||
6 | A2 | 3237 | 3063 | 0.946 | 92 | 488 | ||
7 | A2 | 1195 | 1050 | 0.879 | 92 | 489 | ||
8 | A2 | 1072 | 1020 | 0.952 | 92 | 490 | ||
9 | B1 | 3253 | 3065 | 0.942 | 92 | 491 | ||
10 | B1 | 1197 | 1146 | 0.958 | 92 | 492 | ||
11 | B1 | 829 | 797 | 0.961 | 92 | 493 | ||
12 | B2 | 3150 | 3006 | 0.954 | 92 | 494 | ||
13 | B2 | 1530 | 1459 | 0.953 | 92 | 495 | ||
14 | B2 | 1184 | 1159 | 0.979 | 92 | 496 | ||
15 | B2 | 894 | 824 | 0.921 | 92 | 497 | ||
CH3ONO | Methyl nitrite | 1 | A' | 3227 | 3037 | 0.941 | 93 | 498 |
2 | A' | 3108 | 2950 | 0.949 | 93 | 499 | ||
3 | A' | 1720 | 1613 | 0.938 | 93 | 500 | ||
4 | A' | 1526 | 1454 | 0.953 | 93 | 501 | ||
5 | A' | 1481 | 1408 | 0.951 | 93 | 502 | ||
6 | A' | 1224 | 1239 | 1.012 | 93 | 503 | ||
7 | A' | 1078 | 991 | 0.919 | 93 | 504 | ||
8 | A' | 917 | 838 | 0.914 | 93 | 505 | ||
9 | A' | 760 | 627 | 0.825 | 93 | 506 | ||
10 | A' | 382 | 346 | 0.906 | 93 | 507 | ||
11 | A" | 3191 | 2991 | 0.937 | 93 | 508 | ||
12 | A" | 1512 | 1438 | 0.952 | 93 | 509 | ||
13 | A" | 1190 | 1143 | 0.960 | 93 | 510 | ||
14 | A" | 362 | 93 | 511 | ||||
15 | A" | 232 | 186 | 0.803 | 93 | 512 | ||
C2H4S | Thiirane | 1 | A1 | 3190 | 3014 | 0.945 | 94 | 513 |
2 | A1 | 1523 | 1457 | 0.956 | 94 | 514 | ||
5 | A1 | 662 | 627 | 0.947 | 94 | 515 | ||
11 | B1 | 845 | 824 | 0.976 | 94 | 516 | ||
12 | B2 | 3186 | 3013 | 0.946 | 94 | 517 | ||
14 | B2 | 1103 | 1051 | 0.952 | 94 | 518 | ||
CH3COF | Acetyl fluoride | 1 | A' | 3231 | 3043 | 0.942 | 95 | 519 |
2 | A' | 3112 | 2955 | 0.950 | 95 | 520 | ||
3 | A' | 1963 | 1870 | 0.953 | 95 | 521 | ||
4 | A' | 1499 | 1440 | 0.960 | 95 | 522 | ||
5 | A' | 1437 | 1378 | 0.959 | 95 | 523 | ||
6 | A' | 1274 | 1188 | 0.933 | 95 | 524 | ||
7 | A' | 1037 | 1000 | 0.965 | 95 | 525 | ||
8 | A' | 886 | 826 | 0.933 | 95 | 526 | ||
9 | A' | 616 | 598 | 0.971 | 95 | 527 | ||
10 | A' | 414 | 420 | 1.016 | 95 | 528 | ||
11 | A" | 3189 | 3004 | 0.942 | 95 | 529 | ||
12 | A" | 1505 | 1437 | 0.955 | 95 | 530 | ||
13 | A" | 1093 | 1054 | 0.964 | 95 | 531 | ||
14 | A" | 587 | 567 | 0.967 | 95 | 532 | ||
15 | A" | 142 | 123 | 0.865 | 95 | 533 | ||
CH3COCl | Acetyl Chloride | 1 | A' | 3217 | 3027 | 0.941 | 96 | 534 |
2 | A' | 3109 | 2948 | 0.948 | 96 | 535 | ||
3 | A' | 1926 | 1818 | 0.944 | 96 | 536 | ||
4 | A' | 1494 | 1415 | 0.947 | 96 | 537 | ||
5 | A' | 1422 | 1368 | 0.962 | 96 | 538 | ||
6 | A' | 1143 | 1108 | 0.969 | 96 | 539 | ||
7 | A' | 986 | 956 | 0.970 | 96 | 540 | ||
8 | A' | 627 | 604 | 0.964 | 96 | 541 | ||
9 | A' | 460 | 445 | 0.968 | 96 | 542 | ||
10 | A' | 347 | 348 | 1.003 | 96 | 543 | ||
11 | A" | 3195 | 2990 | 0.936 | 96 | 544 | ||
12 | A" | 1498 | 1431 | 0.955 | 96 | 545 | ||
13 | A" | 1066 | 1032 | 0.968 | 96 | 546 | ||
14 | A" | 530 | 518 | 0.977 | 96 | 547 | ||
15 | A" | 154 | 166 | 1.078 | 96 | 548 | ||
C2H6 | Ethane | 1 | A1g | 3091 | 2954 | 0.956 | 97 | 549 |
2 | A1g | 1458 | 1388 | 0.952 | 97 | 550 | ||
3 | A1g | 1027 | 995 | 0.969 | 97 | 551 | ||
4 | A1u | 314 | 289 | 0.921 | 97 | 552 | ||
5 | A2u | 3090 | 2896 | 0.937 | 97 | 553 | ||
6 | A2u | 1436 | 1379 | 0.960 | 97 | 554 | ||
7 | Eg | 3154 | 2969 | 0.941 | 97 | 555 | ||
8 | Eg | 1537 | 1468 | 0.955 | 97 | 556 | ||
9 | Eg | 1244 | 1190 | 0.957 | 97 | 557 | ||
10 | Eu | 3176 | 2985 | 0.940 | 97 | 558 | ||
11 | Eu | 1540 | 1469 | 0.954 | 97 | 559 | ||
12 | Eu | 832 | 822 | 0.988 | 97 | 560 | ||
CH3COOH | Acetic acid | 1 | A' | 3840 | 3583 | 0.933 | 98 | 561 |
2 | A' | 3228 | 3051 | 0.945 | 98 | 562 | ||
3 | A' | 3111 | 2944 | 0.946 | 98 | 563 | ||
4 | A' | 1899 | 1788 | 0.942 | 98 | 564 | ||
5 | A' | 1503 | 1430 | 0.952 | 98 | 565 | ||
6 | A' | 1452 | 1382 | 0.952 | 98 | 566 | ||
7 | A' | 1384 | 1264 | 0.913 | 98 | 567 | ||
8 | A' | 1252 | 1182 | 0.944 | 98 | 568 | ||
9 | A' | 1024 | 989 | 0.966 | 98 | 569 | ||
10 | A' | 887 | 847 | 0.955 | 98 | 570 | ||
11 | A' | 594 | 657 | 1.106 | 98 | 571 | ||
12 | A' | 421 | 98 | 572 | ||||
13 | A" | 3187 | 2996 | 0.940 | 98 | 573 | ||
14 | A" | 1506 | 1430 | 0.949 | 98 | 574 | ||
15 | A" | 1090 | 1048 | 0.961 | 98 | 575 | ||
16 | A" | 683 | 642 | 0.940 | 98 | 576 | ||
17 | A" | 557 | 534 | 0.959 | 98 | 577 | ||
18 | A" | 95 | 93 | 0.979 | 98 | 578 | ||
CH3OCHO | methyl formate | 1 | A' | 3221 | 3045 | 0.945 | 99 | 579 |
2 | A' | 3117 | 2969 | 0.953 | 99 | 580 | ||
3 | A' | 3109 | 2943 | 0.947 | 99 | 581 | ||
4 | A' | 1864 | 1754 | 0.941 | 99 | 582 | ||
5 | A' | 1531 | 1454 | 0.950 | 99 | 583 | ||
6 | A' | 1504 | 1445 | 0.961 | 99 | 584 | ||
7 | A' | 1437 | 1371 | 0.954 | 99 | 585 | ||
8 | A' | 1277 | 1207 | 0.945 | 99 | 586 | ||
9 | A' | 1224 | 1166 | 0.952 | 99 | 587 | ||
10 | A' | 984 | 925 | 0.940 | 99 | 588 | ||
11 | A' | 794 | 767 | 0.966 | 99 | 589 | ||
12 | A' | 316 | 318 | 1.006 | 99 | 590 | ||
13 | A" | 3193 | 3012 | 0.943 | 99 | 591 | ||
14 | A" | 1518 | 1443 | 0.950 | 99 | 592 | ||
15 | A" | 1208 | 1168 | 0.967 | 99 | 593 | ||
16 | A" | 1082 | 1032 | 0.954 | 99 | 594 | ||
17 | A" | 347 | 332 | 0.958 | 99 | 595 | ||
18 | A" | 157 | 130 | 0.826 | 99 | 596 | ||
CH3CHF2 | Ethane, 1,1-difluoro- | 1 | A' | 3200 | 3015 | 0.942 | 100 | 597 |
2 | A' | 3116 | 2975 | 0.955 | 100 | 598 | ||
3 | A' | 3106 | 2964 | 0.954 | 100 | 599 | ||
4 | A' | 1515 | 1457 | 0.961 | 100 | 600 | ||
5 | A' | 1477 | 1413 | 0.957 | 100 | 601 | ||
6 | A' | 1422 | 1357 | 0.954 | 100 | 602 | ||
7 | A' | 1209 | 1171 | 0.969 | 100 | 603 | ||
8 | A' | 1176 | 1140 | 0.970 | 100 | 604 | ||
9 | A' | 896 | 868 | 0.969 | 100 | 605 | ||
10 | A' | 581 | 569 | 0.979 | 100 | 606 | ||
11 | A' | 473 | 468 | 0.989 | 100 | 607 | ||
12 | A" | 3198 | 100 | 608 | ||||
13 | A" | 1520 | 100 | 609 | ||||
14 | A" | 1450 | 1362 | 0.939 | 100 | 610 | ||
15 | A" | 1219 | 1135 | 0.931 | 100 | 611 | ||
16 | A" | 997 | 942 | 0.945 | 100 | 612 | ||
17 | A" | 380 | 100 | 613 | ||||
18 | A" | 244 | 100 | 614 | ||||
CH3CH2Cl | Ethyl chloride | 1 | A' | 3174 | 2967 | 0.935 | 101 | 615 |
2 | A' | 3142 | 2946 | 0.938 | 101 | 616 | ||
3 | A' | 3094 | 2881 | 0.931 | 101 | 617 | ||
4 | A' | 1533 | 1463 | 0.955 | 101 | 618 | ||
5 | A' | 1523 | 1448 | 0.951 | 101 | 619 | ||
6 | A' | 1444 | 1385 | 0.959 | 101 | 620 | ||
7 | A' | 1348 | 1289 | 0.956 | 101 | 621 | ||
8 | A' | 1109 | 1081 | 0.975 | 101 | 622 | ||
9 | A' | 1009 | 974 | 0.966 | 101 | 623 | ||
10 | A' | 705 | 677 | 0.960 | 101 | 624 | ||
11 | A' | 337 | 336 | 0.998 | 101 | 625 | ||
12 | A" | 3209 | 3014 | 0.939 | 101 | 626 | ||
13 | A" | 3184 | 2986 | 0.938 | 101 | 627 | ||
14 | A" | 1518 | 1448 | 0.954 | 101 | 628 | ||
15 | A" | 1298 | 1251 | 0.964 | 101 | 629 | ||
16 | A" | 1100 | 974 | 0.885 | 101 | 630 | ||
17 | A" | 797 | 786 | 0.986 | 101 | 631 | ||
18 | A" | 267 | 251 | 0.941 | 101 | 632 | ||
C3H6 | Cyclopropane | 1 | A1' | 3201 | 3038 | 0.949 | 102 | 633 |
2 | A1' | 1551 | 1479 | 0.954 | 102 | 634 | ||
3 | A1' | 1238 | 1188 | 0.959 | 102 | 635 | ||
4 | A1" | 1181 | 1126 | 0.953 | 102 | 636 | ||
5 | A2' | 1114 | 1070 | 0.960 | 102 | 637 | ||
6 | A2" | 3293 | 3103 | 0.942 | 102 | 638 | ||
7 | A2" | 864 | 854 | 0.988 | 102 | 639 | ||
8 | E' | 3190 | 3025 | 0.948 | 102 | 640 | ||
9 | E' | 1497 | 1438 | 0.961 | 102 | 641 | ||
10 | E' | 1089 | 1029 | 0.945 | 102 | 642 | ||
11 | E' | 920 | 866 | 0.941 | 102 | 643 | ||
12 | E" | 3274 | 3082 | 0.941 | 102 | 644 | ||
13 | E" | 1234 | 1188 | 0.963 | 102 | 645 | ||
14 | E" | 749 | 739 | 0.987 | 102 | 646 | ||
CH2CHCH3 | Propene | 1 | A' | 3279 | 3090 | 0.942 | 103 | 647 |
2 | A' | 3201 | 3013 | 0.941 | 103 | 648 | ||
3 | A' | 3188 | 2991 | 0.938 | 103 | 649 | ||
4 | A' | 3167 | 2954 | 0.933 | 103 | 650 | ||
5 | A' | 3079 | 2871 | 0.933 | 103 | 651 | ||
6 | A' | 1737 | 1650 | 0.950 | 103 | 652 | ||
7 | A' | 1527 | 1470 | 0.962 | 103 | 653 | ||
8 | A' | 1478 | 1420 | 0.961 | 103 | 654 | ||
9 | A' | 1437 | 1378 | 0.959 | 103 | 655 | ||
10 | A' | 1344 | 1297 | 0.965 | 103 | 656 | ||
11 | A' | 1210 | 1171 | 0.968 | 103 | 657 | ||
12 | A' | 956 | 963 | 1.007 | 103 | 658 | ||
13 | A' | 943 | 920 | 0.976 | 103 | 659 | ||
14 | A' | 424 | 428 | 1.009 | 103 | 660 | ||
15 | A" | 3142 | 2954 | 0.940 | 103 | 661 | ||
16 | A" | 1515 | 1443 | 0.953 | 103 | 662 | ||
17 | A" | 1087 | 1045 | 0.961 | 103 | 663 | ||
18 | A" | 1043 | 991 | 0.950 | 103 | 664 | ||
19 | A" | 956 | 912 | 0.954 | 103 | 665 | ||
20 | A" | 595 | 578 | 0.972 | 103 | 666 | ||
21 | A" | 203 | 174 | 0.858 | 103 | 667 | ||
CH3CH2OH | Ethanol | 1 | A' | 3912 | 3653 | 0.934 | 104 | 668 |
2 | A' | 3178 | 2984 | 0.939 | 104 | 669 | ||
3 | A' | 3096 | 2939 | 0.950 | 104 | 670 | ||
4 | A' | 3041 | 2900 | 0.954 | 104 | 671 | ||
5 | A' | 1569 | 1490 | 0.950 | 104 | 672 | ||
6 | A' | 1534 | 1464 | 0.954 | 104 | 673 | ||
7 | A' | 1498 | 1412 | 0.942 | 104 | 674 | ||
8 | A' | 1430 | 1371 | 0.959 | 104 | 675 | ||
9 | A' | 1309 | 1256 | 0.959 | 104 | 676 | ||
10 | A' | 1151 | 1091 | 0.948 | 104 | 677 | ||
11 | A' | 1065 | 1028 | 0.965 | 104 | 678 | ||
12 | A' | 926 | 888 | 0.958 | 104 | 679 | ||
13 | A' | 418 | 417 | 0.997 | 104 | 680 | ||
14 | A" | 3183 | 2991 | 0.940 | 104 | 681 | ||
15 | A" | 3073 | 2910 | 0.947 | 104 | 682 | ||
16 | A" | 1515 | 1446 | 0.954 | 104 | 683 | ||
17 | A" | 1324 | 1275 | 0.963 | 104 | 684 | ||
18 | A" | 1209 | 1161 | 0.960 | 104 | 685 | ||
19 | A" | 828 | 812 | 0.980 | 104 | 686 | ||
20 | A" | 298 | 251 | 0.843 | 104 | 687 | ||
21 | A" | 249 | 200 | 0.803 | 104 | 688 | ||
CH3OCH3 | Dimethyl ether | 1 | A1 | 3176 | 2996 | 0.943 | 105 | 689 |
2 | A1 | 3039 | 2817 | 0.927 | 105 | 690 | ||
3 | A1 | 1556 | 1464 | 0.941 | 105 | 691 | ||
4 | A1 | 1528 | 1452 | 0.950 | 105 | 692 | ||
5 | A1 | 1305 | 1244 | 0.953 | 105 | 693 | ||
6 | A1 | 985 | 928 | 0.942 | 105 | 694 | ||
7 | A1 | 430 | 418 | 0.972 | 105 | 695 | ||
8 | A2 | 3088 | 2952 | 0.956 | 105 | 696 | ||
9 | A2 | 1518 | 1464 | 0.964 | 105 | 697 | ||
10 | A2 | 1192 | 1150 | 0.965 | 105 | 698 | ||
11 | A2 | 216 | 203 | 0.940 | 105 | 699 | ||
12 | B1 | 3085 | 2925 | 0.948 | 105 | 700 | ||
13 | B1 | 1529 | 1464 | 0.958 | 105 | 701 | ||
14 | B1 | 1228 | 1179 | 0.960 | 105 | 702 | ||
15 | B1 | 267 | 242 | 0.907 | 105 | 703 | ||
16 | B2 | 3174 | 2996 | 0.944 | 105 | 704 | ||
17 | B2 | 3029 | 2817 | 0.930 | 105 | 705 | ||
18 | B2 | 1536 | 1464 | 0.953 | 105 | 706 | ||
19 | B2 | 1494 | 1452 | 0.972 | 105 | 707 | ||
20 | B2 | 1245 | 1227 | 0.986 | 105 | 708 | ||
21 | B2 | 1154 | 1102 | 0.955 | 105 | 709 | ||
CH3CH2SH | ethanethiol | 1 | A' | 3173 | 2966 | 0.935 | 106 | 710 |
1 | A | 3187 | 2980 | 0.935 | 106 | 711 | ||
2 | A | 3167 | 2967 | 0.937 | 106 | 712 | ||
2 | A' | 3119 | 2872 | 0.921 | 106 | 713 | ||
3 | A' | 3093 | 2872 | 0.929 | 106 | 714 | ||
3 | A | 3159 | 2930 | 0.927 | 106 | 715 | ||
4 | A | 3118 | 2902 | 0.931 | 106 | 716 | ||
4 | A' | 2746 | 2580 | 0.940 | 106 | 717 | ||
5 | A' | 1536 | 1453 | 0.946 | 106 | 718 | ||
5 | A | 3087 | 2875 | 0.931 | 106 | 719 | ||
6 | A | 2740 | 2591 | 0.945 | 106 | 720 | ||
6 | A' | 1524 | 1453 | 0.954 | 106 | 721 | ||
7 | A' | 1444 | 1385 | 0.959 | 106 | 722 | ||
7 | A | 1531 | 1462 | 0.955 | 106 | 723 | ||
8 | A | 1524 | 1452 | 0.952 | 106 | 724 | ||
8 | A' | 1332 | 1309 | 0.983 | 106 | 725 | ||
9 | A' | 1134 | 1097 | 0.967 | 106 | 726 | ||
9 | A | 1512 | 1437 | 0.951 | 106 | 727 | ||
10 | A | 1443 | 1377 | 0.954 | 106 | 728 | ||
10 | A' | 1017 | 978 | 0.962 | 106 | 729 | ||
11 | A' | 882 | 870 | 0.986 | 106 | 730 | ||
11 | A | 1339 | 1269 | 0.948 | 106 | 731 | ||
12 | A | 1304 | 1246 | 0.955 | 106 | 732 | ||
12 | A' | 702 | 660 | 0.940 | 106 | 733 | ||
13 | A' | 307 | 332 | 1.081 | 106 | 734 | ||
13 | A | 1145 | 1093 | 0.955 | 106 | 735 | ||
14 | A | 1089 | 1051 | 0.965 | 106 | 736 | ||
14 | A" | 3186 | 2966 | 0.931 | 106 | 737 | ||
15 | A" | 3165 | 2930 | 0.926 | 106 | 738 | ||
15 | A | 1010 | 970 | 0.960 | 106 | 739 | ||
16 | A | 889 | 867 | 0.975 | 106 | 740 | ||
16 | A" | 1526 | 1453 | 0.952 | 106 | 741 | ||
17 | A" | 1292 | 1269 | 0.983 | 106 | 742 | ||
17 | A | 748 | 735 | 0.982 | 106 | 743 | ||
18 | A | 688 | 658 | 0.957 | 106 | 744 | ||
18 | A" | 1066 | 1049 | 0.984 | 106 | 745 | ||
19 | A" | 800 | 745 | 0.931 | 106 | 746 | ||
19 | A | 333 | 319 | 0.957 | 106 | 747 | ||
20 | A | 264 | 106 | 748 | ||||
21 | A | 216 | 106 | 749 | ||||
CH3SCH3 | Dimethyl sulfide | 1 | A1 | 3196 | 2997 | 0.938 | 107 | 750 |
2 | A1 | 3091 | 2925 | 0.946 | 107 | 751 | ||
3 | A1 | 1521 | 1447 | 0.951 | 107 | 752 | ||
4 | A1 | 1406 | 1337 | 0.951 | 107 | 753 | ||
5 | A1 | 1075 | 1030 | 0.958 | 107 | 754 | ||
6 | A1 | 724 | 695 | 0.960 | 107 | 755 | ||
7 | A1 | 269 | 280 | 1.040 | 107 | 756 | ||
8 | A2 | 3182 | 2970 | 0.933 | 107 | 757 | ||
9 | A2 | 1498 | 1427 | 0.953 | 107 | 758 | ||
10 | A2 | 976 | 946 | 0.969 | 107 | 759 | ||
11 | A2 | 187 | 175 | 0.938 | 107 | 760 | ||
12 | B1 | 3176 | 2970 | 0.935 | 107 | 761 | ||
13 | B1 | 1508 | 1439 | 0.954 | 107 | 762 | ||
14 | B1 | 1012 | 973 | 0.962 | 107 | 763 | ||
15 | B1 | 194 | 183 | 0.945 | 107 | 764 | ||
16 | B2 | 3196 | 2999 | 0.938 | 107 | 765 | ||
17 | B2 | 3093 | 2919 | 0.944 | 107 | 766 | ||
18 | B2 | 1513 | 1442 | 0.953 | 107 | 767 | ||
19 | B2 | 1381 | 1315 | 0.952 | 107 | 768 | ||
20 | B2 | 934 | 903 | 0.967 | 107 | 769 | ||
21 | B2 | 779 | 742 | 0.953 | 107 | 770 | ||
CH2CCHCH3 | 1,2-Butadiene | 1 | A' | 3197 | 3061 | 0.958 | 108 | 771 |
2 | A' | 3185 | 3010 | 0.945 | 108 | 772 | ||
3 | A' | 3180 | 2965 | 0.932 | 108 | 773 | ||
4 | A' | 3084 | 2905 | 0.942 | 108 | 774 | ||
5 | A' | 2091 | 1970 | 0.942 | 108 | 775 | ||
6 | A' | 1535 | 1453 | 0.946 | 108 | 776 | ||
7 | A' | 1503 | 1437 | 0.956 | 108 | 777 | ||
8 | A' | 1441 | 1389 | 0.964 | 108 | 778 | ||
9 | A' | 1388 | 1330 | 0.958 | 108 | 779 | ||
10 | A' | 1166 | 1132 | 0.971 | 108 | 780 | ||
11 | A' | 1111 | 1074 | 0.966 | 108 | 781 | ||
12 | A' | 896 | 876 | 0.978 | 108 | 782 | ||
13 | A' | 889 | 859 | 0.966 | 108 | 783 | ||
14 | A' | 573 | 555 | 0.968 | 108 | 784 | ||
15 | A' | 211 | 210 | 0.997 | 108 | 785 | ||
16 | A" | 3266 | 3061 | 0.937 | 108 | 786 | ||
17 | A" | 3148 | 2965 | 0.942 | 108 | 787 | ||
18 | A" | 1517 | 1453 | 0.958 | 108 | 788 | ||
19 | A" | 1079 | 1110 | 1.029 | 108 | 789 | ||
20 | A" | 1042 | 1011 | 0.970 | 108 | 790 | ||
21 | A" | 908 | 842 | 0.927 | 108 | 791 | ||
22 | A" | 544 | 523 | 0.961 | 108 | 792 | ||
23 | A" | 347 | 322 | 0.929 | 108 | 793 | ||
C4H6 | Cyclobutene | 1 | A1 | 3268 | 3060 | 0.936 | 109 | 794 |
2 | A1 | 3104 | 2935 | 0.946 | 109 | 795 | ||
3 | A1 | 1651 | 1570 | 0.951 | 109 | 796 | ||
4 | A1 | 1526 | 1450 | 0.950 | 109 | 797 | ||
5 | A1 | 1255 | 1276 | 1.017 | 109 | 798 | ||
6 | A1 | 1154 | 1186 | 1.027 | 109 | 799 | ||
7 | A1 | 1024 | 1113 | 1.087 | 109 | 800 | ||
8 | A1 | 923 | 886 | 0.960 | 109 | 801 | ||
9 | A2 | 3142 | 2955 | 0.940 | 109 | 802 | ||
10 | A2 | 1201 | 1276 | 1.062 | 109 | 803 | ||
11 | A2 | 1053 | 1081 | 1.027 | 109 | 804 | ||
12 | A2 | 950 | 850 | 0.894 | 109 | 805 | ||
13 | A2 | 310 | 325 | 1.049 | 109 | 806 | ||
14 | B1 | 3157 | 2955 | 0.936 | 109 | 807 | ||
15 | B1 | 1123 | 1074 | 0.957 | 109 | 808 | ||
16 | B1 | 886 | 846 | 0.955 | 109 | 809 | ||
17 | B1 | 666 | 635 | 0.954 | 109 | 810 | ||
18 | B2 | 3236 | 3047 | 0.942 | 109 | 811 | ||
19 | B2 | 3097 | 2916 | 0.941 | 109 | 812 | ||
20 | B2 | 1503 | 1427 | 0.949 | 109 | 813 | ||
21 | B2 | 1347 | 1294 | 0.960 | 109 | 814 | ||
22 | B2 | 1261 | 1214 | 0.963 | 109 | 815 | ||
23 | B2 | 923 | 888 | 0.962 | 109 | 816 | ||
24 | B2 | 871 | 740 | 0.849 | 109 | 817 | ||
C4H6 | Methylenecyclopropane | 1 | A1 | 3183 | 3010 | 0.946 | 110 | 818 |
2 | A1 | 3173 | 3002 | 0.946 | 110 | 819 | ||
3 | A1 | 1876 | 1743 | 0.929 | 110 | 820 | ||
4 | A1 | 1514 | 1437 | 0.949 | 110 | 821 | ||
5 | A1 | 1471 | 1410 | 0.959 | 110 | 822 | ||
6 | A1 | 1090 | 1036 | 0.951 | 110 | 823 | ||
7 | A1 | 1069 | 1002 | 0.937 | 110 | 824 | ||
8 | A1 | 764 | 723 | 0.946 | 110 | 825 | ||
9 | A2 | 3250 | 3051 | 0.939 | 110 | 826 | ||
10 | A2 | 1194 | 1144 | 0.958 | 110 | 827 | ||
11 | A2 | 974 | 937 | 0.962 | 110 | 828 | ||
12 | A2 | 632 | 616 | 0.975 | 110 | 829 | ||
13 | B1 | 3262 | 3071 | 0.941 | 110 | 830 | ||
14 | B1 | 1120 | 1072 | 0.957 | 110 | 831 | ||
15 | B1 | 941 | 889 | 0.945 | 110 | 832 | ||
16 | B1 | 767 | 748 | 0.975 | 110 | 833 | ||
17 | B1 | 304 | 360 | 1.184 | 110 | 834 | ||
18 | B2 | 3269 | 3086 | 0.944 | 110 | 835 | ||
19 | B2 | 3169 | 2999 | 0.946 | 110 | 836 | ||
20 | B2 | 1476 | 1353 | 0.916 | 110 | 837 | ||
21 | B2 | 1170 | 1174 | 1.003 | 110 | 838 | ||
22 | B2 | 1104 | 1125 | 1.019 | 110 | 839 | ||
23 | B2 | 928 | 792 | 0.853 | 110 | 840 | ||
24 | B2 | 360 | 290 | 0.806 | 110 | 841 | ||
C4H6 | Bicyclo[1.1.0]butane | 1 | A1 | 3317 | 3131 | 0.944 | 111 | 842 |
2 | A1 | 3228 | 3044 | 0.943 | 111 | 843 | ||
3 | A1 | 3126 | 2935 | 0.939 | 111 | 844 | ||
4 | A1 | 1559 | 1501 | 0.963 | 111 | 845 | ||
5 | A1 | 1325 | 1266 | 0.956 | 111 | 846 | ||
6 | A1 | 1130 | 1081 | 0.957 | 111 | 847 | ||
7 | A1 | 905 | 839 | 0.927 | 111 | 848 | ||
8 | A1 | 710 | 657 | 0.925 | 111 | 849 | ||
9 | A1 | 435 | 423 | 0.972 | 111 | 850 | ||
10 | A2 | 1204 | 1172 | 0.974 | 111 | 851 | ||
11 | A2 | 1109 | 1063 | 0.958 | 111 | 852 | ||
12 | A2 | 948 | 909 | 0.959 | 111 | 853 | ||
13 | A2 | 880 | 838 | 0.953 | 111 | 854 | ||
14 | B1 | 3303 | 3120 | 0.944 | 111 | 855 | ||
15 | B1 | 1201 | 1110 | 0.924 | 111 | 856 | ||
16 | B1 | 1160 | 1092 | 0.941 | 111 | 857 | ||
17 | B1 | 1030 | 980 | 0.952 | 111 | 858 | ||
18 | B1 | 781 | 737 | 0.944 | 111 | 859 | ||
19 | B2 | 3229 | 3044 | 0.943 | 111 | 860 | ||
20 | B2 | 3130 | 2969 | 0.949 | 111 | 861 | ||
21 | B2 | 1518 | 1485 | 0.978 | 111 | 862 | ||
22 | B2 | 1347 | 1261 | 0.936 | 111 | 863 | ||
23 | B2 | 1121 | 1081 | 0.964 | 111 | 864 | ||
24 | B2 | 961 | 935 | 0.973 | 111 | 865 | ||
CH3CH2NH2 | Ethylamine | 1 | A' | 3537 | 3345 | 0.946 | 112 | 866 |
2 | A' | 3157 | 2985 | 0.946 | 112 | 867 | ||
3 | A' | 3095 | 2840 | 0.917 | 112 | 868 | ||
4 | A' | 3076 | 2860 | 0.930 | 112 | 869 | ||
5 | A' | 1699 | 1622 | 0.955 | 112 | 870 | ||
6 | A' | 1541 | 1487 | 0.965 | 112 | 871 | ||
7 | A' | 1523 | 1465 | 0.962 | 112 | 872 | ||
8 | A' | 1441 | 1378 | 0.956 | 112 | 873 | ||
9 | A' | 1408 | 1397 | 0.993 | 112 | 874 | ||
10 | A' | 1184 | 1016 | 0.858 | 112 | 875 | ||
11 | A' | 1101 | 1086 | 0.987 | 112 | 876 | ||
12 | A' | 934 | 892 | 0.955 | 112 | 877 | ||
13 | A' | 896 | 773 | 0.862 | 112 | 878 | ||
14 | A' | 405 | 403 | 0.995 | 112 | 879 | ||
15 | A" | 3619 | 3412 | 0.943 | 112 | 880 | ||
16 | A" | 3159 | 2924 | 0.926 | 112 | 881 | ||
17 | A" | 3131 | 2906 | 0.928 | 112 | 882 | ||
18 | A" | 1528 | 1455 | 0.952 | 112 | 883 | ||
19 | A" | 1418 | 1238 | 0.873 | 112 | 884 | ||
20 | A" | 1295 | 1293 | 0.998 | 112 | 885 | ||
21 | A" | 1023 | 1117 | 1.092 | 112 | 886 | ||
22 | A" | 785 | 816 | 1.039 | 112 | 887 | ||
23 | A" | 301 | 259 | 0.861 | 112 | 888 | ||
24 | A" | 257 | 218 | 0.849 | 112 | 889 | ||
CH3CH2CHO | Propanal | 1 | A' | 3182 | 2981 | 0.937 | 113 | 890 |
2 | A' | 3103 | 2904 | 0.936 | 113 | 891 | ||
3 | A' | 3077 | 2895 | 0.941 | 113 | 892 | ||
4 | A' | 2968 | 2809 | 0.947 | 113 | 893 | ||
5 | A' | 1852 | 1743 | 0.941 | 113 | 894 | ||
6 | A' | 1531 | 1460 | 0.954 | 113 | 895 | ||
7 | A' | 1493 | 1416 | 0.949 | 113 | 896 | ||
8 | A' | 1456 | 1390 | 0.955 | 113 | 897 | ||
9 | A' | 1440 | 1376 | 0.956 | 113 | 898 | ||
10 | A' | 1398 | 1335 | 0.955 | 113 | 899 | ||
11 | A' | 1134 | 1093 | 0.964 | 113 | 900 | ||
12 | A' | 1019 | 993 | 0.974 | 113 | 901 | ||
13 | A' | 879 | 848 | 0.965 | 113 | 902 | ||
14 | A' | 677 | 668 | 0.987 | 113 | 903 | ||
15 | A' | 261 | 271 | 1.037 | 113 | 904 | ||
16 | A" | 3187 | 2992 | 0.939 | 113 | 905 | ||
17 | A" | 3111 | 2942 | 0.946 | 113 | 906 | ||
18 | A" | 1526 | 1451 | 0.951 | 113 | 907 | ||
19 | A" | 1304 | 1250 | 0.959 | 113 | 908 | ||
20 | A" | 1170 | 1118 | 0.955 | 113 | 909 | ||
21 | A" | 915 | 892 | 0.975 | 113 | 910 | ||
22 | A" | 688 | 660 | 0.960 | 113 | 911 | ||
23 | A" | 239 | 220 | 0.922 | 113 | 912 | ||
24 | A" | 142 | 135 | 0.952 | 113 | 913 | ||
C3H6S | Thietane | 1 | A' | 3195 | 2994 | 0.937 | 114 | 914 |
2 | A' | 3165 | 2972 | 0.939 | 114 | 915 | ||
3 | A' | 3127 | 2946 | 0.942 | 114 | 916 | ||
4 | A' | 3111 | 2903 | 0.933 | 114 | 917 | ||
5 | A' | 1540 | 1470 | 0.955 | 114 | 918 | ||
6 | A' | 1512 | 1452 | 0.960 | 114 | 919 | ||
7 | A' | 1286 | 1224 | 0.952 | 114 | 920 | ||
8 | A' | 1230 | 1183 | 0.962 | 114 | 921 | ||
9 | A' | 1008 | 975 | 0.967 | 114 | 922 | ||
10 | A' | 968 | 933 | 0.964 | 114 | 923 | ||
11 | A' | 878 | 845 | 0.963 | 114 | 924 | ||
12 | A' | 723 | 700 | 0.968 | 114 | 925 | ||
13 | A' | 546 | 529 | 0.969 | 114 | 926 | ||
14 | A' | 163 | 114 | 927 | ||||
15 | A" | 3191 | 2994 | 0.938 | 114 | 928 | ||
16 | A" | 3126 | 2950 | 0.944 | 114 | 929 | ||
17 | A" | 1514 | 1454 | 0.960 | 114 | 930 | ||
18 | A" | 1337 | 1281 | 0.958 | 114 | 931 | ||
19 | A" | 1279 | 1229 | 0.961 | 114 | 932 | ||
20 | A" | 1216 | 1165 | 0.958 | 114 | 933 | ||
21 | A" | 1053 | 1011 | 0.960 | 114 | 934 | ||
22 | A" | 1009 | 986 | 0.978 | 114 | 935 | ||
23 | A" | 836 | 823 | 0.984 | 114 | 936 | ||
24 | A" | 709 | 677 | 0.954 | 114 | 937 | ||
C3H8 | Propane | 1 | A1 | 3162 | 2977 | 0.941 | 115 | 938 |
2 | A1 | 3085 | 2962 | 0.960 | 115 | 939 | ||
3 | A1 | 3082 | 2887 | 0.937 | 115 | 940 | ||
4 | A1 | 1547 | 1476 | 0.954 | 115 | 941 | ||
5 | A1 | 1525 | 1462 | 0.959 | 115 | 942 | ||
6 | A1 | 1453 | 1392 | 0.958 | 115 | 943 | ||
7 | A1 | 1200 | 1158 | 0.965 | 115 | 944 | ||
8 | A1 | 898 | 869 | 0.968 | 115 | 945 | ||
9 | A1 | 368 | 369 | 1.003 | 115 | 946 | ||
10 | A2 | 3153 | 2967 | 0.941 | 115 | 947 | ||
11 | A2 | 1524 | 1451 | 0.952 | 115 | 948 | ||
12 | A2 | 1339 | 1278 | 0.954 | 115 | 949 | ||
13 | A2 | 920 | 940 | 1.022 | 115 | 950 | ||
14 | A2 | 225 | 216 | 0.958 | 115 | 951 | ||
15 | B1 | 3162 | 2973 | 0.940 | 115 | 952 | ||
16 | B1 | 3118 | 2968 | 0.952 | 115 | 953 | ||
17 | B1 | 1541 | 1472 | 0.955 | 115 | 954 | ||
18 | B1 | 1238 | 1192 | 0.963 | 115 | 955 | ||
19 | B1 | 758 | 748 | 0.986 | 115 | 956 | ||
20 | B1 | 281 | 268 | 0.955 | 115 | 957 | ||
21 | B2 | 3160 | 2968 | 0.939 | 115 | 958 | ||
22 | B2 | 3080 | 2887 | 0.937 | 115 | 959 | ||
23 | B2 | 1532 | 1464 | 0.956 | 115 | 960 | ||
24 | B2 | 1440 | 1378 | 0.957 | 115 | 961 | ||
25 | B2 | 1394 | 1338 | 0.960 | 115 | 962 | ||
26 | B2 | 1088 | 1054 | 0.968 | 115 | 963 | ||
27 | B2 | 944 | 922 | 0.977 | 115 | 964 | ||
C3H7N | Cyclopropylamine | 1 | A' | 3548 | 3348 | 0.944 | 116 | 965 |
2 | A' | 3294 | 3100 | 0.941 | 116 | 966 | ||
3 | A' | 3198 | 3032 | 0.948 | 116 | 967 | ||
4 | A' | 3145 | 2975 | 0.946 | 116 | 968 | ||
5 | A' | 1694 | 1617 | 0.955 | 116 | 969 | ||
6 | A' | 1539 | 1456 | 0.946 | 116 | 970 | ||
7 | A' | 1444 | 1374 | 0.952 | 116 | 971 | ||
8 | A' | 1265 | 1214 | 0.960 | 116 | 972 | ||
9 | A' | 1202 | 1168 | 0.972 | 116 | 973 | ||
10 | A' | 1087 | 1150 | 1.058 | 116 | 974 | ||
11 | A' | 1041 | 1020 | 0.979 | 116 | 975 | ||
12 | A' | 894 | 989 | 1.106 | 116 | 976 | ||
13 | A' | 840 | 805 | 0.958 | 116 | 977 | ||
14 | A' | 784 | 762 | 0.972 | 116 | 978 | ||
15 | A' | 408 | 408 | 1.000 | 116 | 979 | ||
16 | A" | 3631 | 3412 | 0.940 | 116 | 980 | ||
17 | A" | 3282 | 3100 | 0.945 | 116 | 981 | ||
18 | A" | 3191 | 3023 | 0.947 | 116 | 982 | ||
19 | A" | 1479 | 1424 | 0.963 | 116 | 983 | ||
20 | A" | 1302 | 1104 | 0.848 | 116 | 984 | ||
21 | A" | 1220 | 1045 | 0.857 | 116 | 985 | ||
22 | A" | 1161 | 1026 | 0.884 | 116 | 986 | ||
23 | A" | 1101 | 940 | 0.854 | 116 | 987 | ||
24 | A" | 935 | 884 | 0.945 | 116 | 988 | ||
25 | A" | 858 | 830 | 0.968 | 116 | 989 | ||
26 | A" | 404 | 396 | 0.979 | 116 | 990 | ||
27 | A" | 279 | 254 | 0.911 | 116 | 991 | ||
CH3CHClCH3 | Propane, 2-chloro- | 1 | A' | 3191 | 3005 | 0.942 | 117 | 992 |
2 | A' | 3171 | 2955 | 0.932 | 117 | 993 | ||
3 | A' | 3143 | 2927 | 0.931 | 117 | 994 | ||
4 | A' | 3090 | 2878 | 0.931 | 117 | 995 | ||
5 | A' | 1537 | 1472 | 0.958 | 117 | 996 | ||
6 | A' | 1524 | 1454 | 0.954 | 117 | 997 | ||
7 | A' | 1451 | 1390 | 0.958 | 117 | 998 | ||
8 | A' | 1320 | 1270 | 0.962 | 117 | 999 | ||
9 | A' | 1210 | 1163 | 0.961 | 117 | 1000 | ||
10 | A' | 1103 | 1065 | 0.966 | 117 | 1001 | ||
11 | A' | 923 | 888 | 0.962 | 117 | 1002 | ||
12 | A' | 659 | 633 | 0.960 | 117 | 1003 | ||
13 | A' | 426 | 418 | 0.982 | 117 | 1004 | ||
14 | A' | 341 | 336 | 0.986 | 117 | 1005 | ||
15 | A' | 279 | 253 | 0.905 | 117 | 1006 | ||
16 | A" | 3186 | 2997 | 0.941 | 117 | 1007 | ||
17 | A" | 3165 | 2985 | 0.943 | 117 | 1008 | ||
18 | A" | 3086 | 2947 | 0.955 | 117 | 1009 | ||
19 | A" | 1517 | 1472 | 0.971 | 117 | 1010 | ||
20 | A" | 1513 | 1454 | 0.961 | 117 | 1011 | ||
21 | A" | 1438 | 1377 | 0.957 | 117 | 1012 | ||
22 | A" | 1386 | 1334 | 0.963 | 117 | 1013 | ||
23 | A" | 1174 | 1123 | 0.956 | 117 | 1014 | ||
24 | A" | 972 | 972 | 1.000 | 117 | 1015 | ||
25 | A" | 953 | 936 | 0.982 | 117 | 1016 | ||
26 | A" | 328 | 317 | 0.966 | 117 | 1017 | ||
27 | A" | 249 | 276 | 1.109 | 117 | 1018 | ||
CH2C(CH3)CH3 | 1-Propene, 2-methyl- | 1 | A1 | 3191 | 2989 | 0.937 | 118 | 1019 |
2 | A1 | 3174 | 2941 | 0.927 | 118 | 1020 | ||
3 | A1 | 3076 | 2911 | 0.946 | 118 | 1021 | ||
4 | A1 | 1755 | 1661 | 0.947 | 118 | 1022 | ||
5 | A1 | 1533 | 1470 | 0.959 | 118 | 1023 | ||
6 | A1 | 1476 | 1416 | 0.959 | 118 | 1024 | ||
7 | A1 | 1441 | 1366 | 0.948 | 118 | 1025 | ||
8 | A1 | 1102 | 1064 | 0.966 | 118 | 1026 | ||
9 | A1 | 830 | 801 | 0.965 | 118 | 1027 | ||
10 | A1 | 374 | 383 | 1.023 | 118 | 1028 | ||
11 | A2 | 3132 | 2970 | 0.948 | 118 | 1029 | ||
12 | A2 | 1505 | 1459 | 0.970 | 118 | 1030 | ||
13 | A2 | 1037 | 1076 | 1.037 | 118 | 1031 | ||
14 | A2 | 719 | 118 | 1032 | ||||
15 | A2 | 172 | 193 | 1.123 | 118 | 1033 | ||
16 | B1 | 3135 | 2945 | 0.939 | 118 | 1034 | ||
17 | B1 | 1522 | 1444 | 0.949 | 118 | 1035 | ||
18 | B1 | 1121 | 1079 | 0.962 | 118 | 1036 | ||
19 | B1 | 941 | 890 | 0.946 | 118 | 1037 | ||
20 | B1 | 436 | 429 | 0.984 | 118 | 1038 | ||
21 | B1 | 211 | 196 | 0.929 | 118 | 1039 | ||
22 | B2 | 3275 | 3086 | 0.942 | 118 | 1040 | ||
23 | B2 | 3171 | 2980 | 0.940 | 118 | 1041 | ||
24 | B2 | 3072 | 2893 | 0.942 | 118 | 1042 | ||
25 | B2 | 1519 | 1458 | 0.960 | 118 | 1043 | ||
26 | B2 | 1445 | 1381 | 0.956 | 118 | 1044 | ||
27 | B2 | 1326 | 1282 | 0.967 | 118 | 1045 | ||
28 | B2 | 1004 | 1043 | 1.038 | 118 | 1046 | ||
29 | B2 | 980 | 974 | 0.994 | 118 | 1047 | ||
30 | B2 | 434 | 430 | 0.992 | 118 | 1048 | ||
CH3CHCHCH3 | 2-Butene, (Z)- | 1 | A1 | 3208 | 3033 | 0.945 | 119 | 1049 |
2 | A1 | 3190 | 2965 | 0.929 | 119 | 1050 | ||
3 | A1 | 3084 | 2878 | 0.933 | 119 | 1051 | ||
4 | A1 | 1768 | 1669 | 0.944 | 119 | 1052 | ||
5 | A1 | 1531 | 1448 | 0.946 | 119 | 1053 | ||
6 | A1 | 1453 | 1397 | 0.962 | 119 | 1054 | ||
7 | A1 | 1310 | 1261 | 0.962 | 119 | 1055 | ||
8 | A1 | 1040 | 986 | 0.948 | 119 | 1056 | ||
9 | A1 | 883 | 880 | 0.997 | 119 | 1057 | ||
10 | A1 | 297 | 290 | 0.977 | 119 | 1058 | ||
11 | A2 | 3139 | 2988 | 0.952 | 119 | 1059 | ||
12 | A2 | 1515 | 1464 | 0.966 | 119 | 1060 | ||
13 | A2 | 1074 | 1037 | 0.965 | 119 | 1061 | ||
14 | A2 | 1021 | 880 | 0.862 | 119 | 1062 | ||
15 | A2 | 394 | 396 | 1.005 | 119 | 1063 | ||
17 | B1 | 3139 | 2965 | 0.945 | 119 | 1064 | ||
18 | B1 | 1521 | 1448 | 0.952 | 119 | 1065 | ||
19 | B1 | 1085 | 986 | 0.909 | 119 | 1066 | ||
20 | B1 | 712 | 673 | 0.945 | 119 | 1067 | ||
22 | B2 | 3187 | 3033 | 0.952 | 119 | 1068 | ||
23 | B2 | 3172 | 2965 | 0.935 | 119 | 1069 | ||
24 | B2 | 3081 | 2900 | 0.941 | 119 | 1070 | ||
25 | B2 | 1522 | 1448 | 0.951 | 119 | 1071 | ||
26 | B2 | 1466 | 1420 | 0.968 | 119 | 1072 | ||
27 | B2 | 1415 | 1397 | 0.987 | 119 | 1073 | ||
28 | B2 | 1174 | 1135 | 0.967 | 119 | 1074 | ||
29 | B2 | 1000 | 986 | 0.986 | 119 | 1075 | ||
30 | B2 | 567 | 583 | 1.029 | 119 | 1076 | ||
N(CH3)3 | Trimethylamine | 1 | A1 | 3122 | 2953 | 0.946 | 120 | 1077 |
2 | A1 | 3003 | 2775 | 0.924 | 120 | 1078 | ||
3 | A1 | 1539 | 1459 | 0.948 | 120 | 1079 | ||
4 | A1 | 1517 | 1444 | 0.952 | 120 | 1080 | ||
5 | A1 | 1242 | 1186 | 0.955 | 120 | 1081 | ||
6 | A1 | 862 | 828 | 0.961 | 120 | 1082 | ||
7 | A1 | 373 | 367 | 0.983 | 120 | 1083 | ||
8 | A2 | 3162 | 2977 | 0.942 | 120 | 1084 | ||
9 | A2 | 1524 | 1453 | 0.953 | 120 | 1085 | ||
10 | A2 | 1086 | 1046 | 0.964 | 120 | 1086 | ||
11 | A2 | 252 | 255 | 1.013 | 120 | 1087 | ||
12 | E | 3167 | 2981 | 0.941 | 120 | 1088 | ||
13 | E | 3118 | 2953 | 0.947 | 120 | 1089 | ||
14 | E | 2993 | 2776 | 0.928 | 120 | 1090 | ||
15 | E | 1545 | 1471 | 0.952 | 120 | 1091 | ||
16 | E | 1517 | 1444 | 0.952 | 120 | 1092 | ||
17 | E | 1473 | 1409 | 0.957 | 120 | 1093 | ||
18 | E | 1342 | 1275 | 0.950 | 120 | 1094 | ||
19 | E | 1142 | 1103 | 0.966 | 120 | 1095 | ||
20 | E | 1089 | 1043 | 0.958 | 120 | 1096 | ||
21 | E | 428 | 424 | 0.989 | 120 | 1097 | ||
22 | E | 284 | 281 | 0.991 | 120 | 1098 | ||
CH3CH(CH3)CH3 | Isobutane | 1 | A1 | 3156 | 2965 | 0.940 | 121 | 1099 |
2 | A1 | 3079 | 2904 | 0.943 | 121 | 1100 | ||
3 | A1 | 3070 | 2880 | 0.938 | 121 | 1101 | ||
4 | A1 | 1547 | 1477 | 0.955 | 121 | 1102 | ||
5 | A1 | 1460 | 1394 | 0.955 | 121 | 1103 | ||
6 | A1 | 1235 | 1177 | 0.953 | 121 | 1104 | ||
7 | A1 | 821 | 797 | 0.971 | 121 | 1105 | ||
8 | A1 | 433 | 426 | 0.984 | 121 | 1106 | ||
9 | A2 | 3154 | 121 | 1107 | ||||
10 | A2 | 1516 | 121 | 1108 | ||||
11 | A2 | 969 | 121 | 1109 | ||||
12 | A2 | 216 | 198 | 0.915 | 121 | 1110 | ||
13 | E | 3158 | 2962 | 0.938 | 121 | 1111 | ||
14 | E | 3147 | 2951 | 0.938 | 121 | 1112 | ||
15 | E | 3073 | 2887 | 0.939 | 121 | 1113 | ||
16 | E | 1540 | 1468 | 0.953 | 121 | 1114 | ||
17 | E | 1521 | 1459 | 0.959 | 121 | 1115 | ||
18 | E | 1435 | 1371 | 0.955 | 121 | 1116 | ||
19 | E | 1389 | 1330 | 0.958 | 121 | 1117 | ||
20 | E | 1220 | 1166 | 0.956 | 121 | 1118 | ||
21 | E | 1000 | 961 | 0.961 | 121 | 1119 | ||
22 | E | 937 | 918 | 0.980 | 121 | 1120 | ||
23 | E | 365 | 367 | 1.005 | 121 | 1121 | ||
24 | E | 268 | 280 | 1.043 | 121 | 1122 |
900 | |||||||||||||||||||||||||||||||||||||||||||
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600 | |||||||||||||||||||||||||||||||||||||||||||
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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 |