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Computational Chemistry Comparison and Benchmark DataBase Release 18 (October 2016) 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 | ||
| 0.941 ± 0.031 | 270 | 2689 | cccbdb |
| Formula | Name | Mode | Symmetry | Frequency | Count | |||
|---|---|---|---|---|---|---|---|---|
| Theory | Experiment | ratio | molecules | vibrations | ||||
| H2 | Hydrogen diatomic | 1 | Σg | 4609 | 4401 | 0.955 | 1 | 1 |
| LiH | Lithium Hydride | 1 | Σ | 1416 | 1405 | 0.993 | 2 | 2 |
| Li2 | Lithium diatomic | 1 | Σg | 339 | 351 | 1.038 | 3 | 3 |
| NaH | sodium hydride | 1 | Σ | 1191 | 1172 | 0.984 | 4 | 4 |
| Na2 | Sodium diatomic | 1 | Σg | 158 | 159 | 1.004 | 5 | 5 |
| BeH | beryllium monohydride | 1 | Σ | 2152 | 2061 | 0.958 | 6 | 6 |
| MgH | magnesium monohydride | 1 | Σ | 1545 | 1493 | 0.966 | 7 | 7 |
| BH | Boron monohydride | 1 | Σ | 2488 | 2367 | 0.951 | 8 | 8 |
| AlH | aluminum monohydride | 1 | Σ | 1755 | 1682 | 0.958 | 9 | 9 |
| CH | Methylidyne | 1 | Σ | 2985 | 2861 | 0.958 | 10 | 10 |
| 1 | Σ | 3293 | 3145 | 0.955 | 10 | 11 | ||
| C2 | Carbon diatomic | 1 | Σg | 1893 | 1855 | 0.980 | 11 | 12 |
| SiH | Silylidyne | 1 | Σ | 2137 | 2043 | 0.956 | 12 | 13 |
| Si2 | Silicon diatomic | 1 | Σg | 553 | 511 | 0.924 | 13 | 14 |
| NH | Imidogen | 1 | Σ | 3420 | 3283 | 0.960 | 14 | 15 |
| 1 | Σ | 3451 | 3314 | 0.960 | 14 | 16 | ||
| CN | Cyano radical | 1 | Σ | 2857 | 2069 | 0.724 | 15 | 17 |
| N2 | Nitrogen diatomic | 1 | Σg | 2173 | 2359 | 1.086 | 16 | 18 |
| SiN | Silicon nitride | 1 | Σ | 1478 | 1151 | 0.779 | 17 | 19 |
| PH | phosphorus monohydride | 1 | Σ | 2472 | 2364 | 0.956 | 18 | 20 |
| 1 | Σ | 2497 | 2415 | 0.967 | 18 | 21 | ||
| CP | Carbon monophosphide | 1 | Σ | 1210 | 1240 | 1.024 | 19 | 22 |
| PN | Phosphorus mononitride | 1 | Σ | 1159 | 1337 | 1.154 | 20 | 23 |
| P2 | Phosphorus diatomic | 1 | Σg | 714 | 781 | 1.094 | 21 | 24 |
| OH | Hydroxyl radical | 1 | Σ | 3823 | 3738 | 0.978 | 22 | 25 |
| LiO | lithium oxide | 1 | Σ | 822 | 815 | 0.990 | 23 | 26 |
| BeO | beryllium oxide | 1 | Σ | 1379 | 1457 | 1.057 | 24 | 27 |
| BO | boron monoxide | 1 | Σ | 1903 | 1885 | 0.991 | 25 | 28 |
| CO | Carbon monoxide | 1 | Σ | 2107 | 2170 | 1.030 | 26 | 29 |
| NaO | sodium monoxide | 1 | Σ | 494 | 492 | 0.996 | 27 | 30 |
| MgO | magnesium oxide | 1 | Σ | 997 | 785 | 0.788 | 28 | 31 |
| SiO | Silicon monoxide | 1 | Σ | 1159 | 1242 | 1.071 | 29 | 32 |
| HS | Mercapto radical | 1 | Σ | 2812 | 2696 | 0.959 | 30 | 33 |
| BeS | beryllium sulfide | 1 | Σ | 1020 | 998 | 0.979 | 31 | 34 |
| BS | boron sulfide | 1 | Σ | 1223 | 1180 | 0.965 | 32 | 35 |
| CS | carbon monosulfide | 1 | Σ | 1316 | 1285 | 0.977 | 33 | 36 |
| SO | Sulfur monoxide | 1 | Σ | 1097 | 1151 | 1.049 | 34 | 37 |
| 1 | Σ | 960 | 1069 | 1.113 | 34 | 38 | ||
| MgS | magnesium sulfide | 1 | Σ | 556 | 529 | 0.951 | 35 | 39 |
| AlS | Aluminum sulfide | 1 | Σ | 703 | 617 | 0.878 | 36 | 40 |
| SiS | silicon monosulfide | 1 | Σ | 753 | 750 | 0.996 | 37 | 41 |
| S2 | Sulfur diatomic | 1 | Σg | 695 | 726 | 1.044 | 38 | 42 |
| HF | Hydrogen fluoride | 1 | Σ | 4116 | 4138 | 1.006 | 39 | 43 |
| LiF | lithium fluoride | 1 | Σ | 864 | 911 | 1.053 | 40 | 44 |
| BeF | Beryllium monofluoride | 1 | Σ | 1207 | 1247 | 1.033 | 41 | 45 |
| CF | Fluoromethylidyne | 1 | Σ | 1278 | 1308 | 1.024 | 42 | 46 |
| NF | nitrogen fluoride | 1 | Σ | 1135 | 1141 | 1.005 | 43 | 47 |
| F2 | Fluorine diatomic | 1 | Σg | 963 | 917 | 0.952 | 44 | 48 |
| NaF | sodium fluoride | 1 | Σ | 511 | 536 | 1.049 | 45 | 49 |
| MgF | Magnesium monofluoride | 1 | Σ | 682 | 712 | 1.043 | 46 | 50 |
| AlF | Aluminum monofluoride | 1 | Σ | 765 | 802 | 1.049 | 47 | 51 |
| SiF | silicon monofluoride | 1 | Σ | 816 | 857 | 1.050 | 48 | 52 |
| PF | phosphorus monofluoride | 1 | Σ | 811 | 847 | 1.044 | 49 | 53 |
| SF | Monosulfur monofluoride | 1 | Σ | 817 | 838 | 1.026 | 50 | 54 |
| HCl | Hydrogen chloride | 1 | Σ | 3112 | 2991 | 0.961 | 51 | 55 |
| LiCl | lithium chloride | 1 | Σ | 629 | 643 | 1.023 | 52 | 56 |
| BeCl | beryllium monochloride | 1 | Σ | 881 | 847 | 0.961 | 53 | 57 |
| BCl | boron monochloride | 1 | Σ | 888 | 840 | 0.946 | 54 | 58 |
| CCl | carbon monochloride | 1 | Σ | 906 | 877 | 0.968 | 55 | 59 |
| ClO | Monochlorine monoxide | 1 | Σ | 845 | 854 | 1.010 | 56 | 60 |
| ClF | Chlorine monofluoride | 1 | Σ | 779 | 783 | 1.006 | 57 | 61 |
| NaCl | Sodium Chloride | 1 | Σ | 363 | 365 | 1.006 | 58 | 62 |
| MgCl | magnesium monochloride | 1 | Σ | 465 | 462 | 0.993 | 59 | 63 |
| AlCl | Aluminum monochloride | 1 | Σ | 491 | 482 | 0.982 | 60 | 64 |
| SiCl | Clorosilylidyne | 1 | Σ | 539 | 536 | 0.994 | 61 | 65 |
| PCl | phosphorus chloride | 1 | Σ | 546 | 551 | 1.011 | 62 | 66 |
| SCl | sulfur monochloride | 1 | Σ | 570 | 577 | 1.013 | 63 | 67 |
| Cl2 | Chlorine diatomic | 1 | Σg | 542 | 560 | 1.033 | 64 | 68 |
| BeH2 | beryllium dihydride | 2 | Σu | 2318 | 2159 | 0.932 | 65 | 69 |
| 3 | Πu | 731 | 698 | 0.955 | 65 | 70 | ||
| MgH2 | magnesium dihydride | 2 | Σu | 1658 | 1572 | 0.948 | 66 | 71 |
| 3 | Πu | 456 | 440 | 0.964 | 66 | 72 | ||
| HCN | Hydrogen cyanide | 1 | Σ | 3514 | 3312 | 0.943 | 67 | 73 |
| 2 | Σ | 2029 | 2089 | 1.030 | 67 | 74 | ||
| 3 | Π | 695 | 712 | 1.024 | 67 | 75 | ||
| HCP | HCP | 1 | Σ | 3416 | 3217 | 0.942 | 68 | 76 |
| 2 | Σ | 1247 | 1278 | 1.025 | 68 | 77 | ||
| 3 | Π | 672 | 674 | 1.004 | 68 | 78 | ||
| HBO | Boron hydride oxide | 1 | Σ | 2976 | 2850 | 0.958 | 69 | 79 |
| 2 | Σ | 1803 | 1826 | 1.012 | 69 | 80 | ||
| 3 | Π | 770 | 756 | 0.983 | 69 | 81 | ||
| HO2 | Hydroperoxy radical | 1 | A' | 3700 | 3436 | 0.929 | 70 | 82 |
| 2 | A' | 1446 | 1392 | 0.962 | 70 | 83 | ||
| 3 | A' | 1219 | 1098 | 0.900 | 70 | 84 | ||
| CO2 | Carbon dioxide | 1 | Σg | 1319 | 1333 | 1.011 | 71 | 85 |
| 2 | Σu | 2413 | 2349 | 0.973 | 71 | 86 | ||
| 3 | Πu | 636 | 667 | 1.049 | 71 | 87 | ||
| N2O | Nitrous oxide | 1 | Σ | 2218 | 2282 | 1.029 | 72 | 88 |
| 2 | Σ | 1280 | 1298 | 1.014 | 72 | 89 | ||
| 3 | Π | 551 | 596 | 1.083 | 72 | 90 | ||
| NaOH | sodium hydroxide | 1 | Σ | 4003 | 3637 | 0.909 | 73 | 91 |
| 2 | Σ | 545 | 540 | 0.992 | 73 | 92 | ||
| 3 | Π | 317 | 300 | 0.945 | 73 | 93 | ||
| SiO2 | silicon dioxide | 2 | Σu | 1412 | 1416 | 1.003 | 74 | 94 |
| 3 | Πu | 215 | 273 | 1.268 | 74 | 95 | ||
| HBS | hydrogen boron sulfide | 1 | Σ | 2915 | 2736 | 0.938 | 75 | 96 |
| 2 | Σ | 1217 | 1172 | 0.963 | 75 | 97 | ||
| OCS | Carbonyl sulfide | 1 | Σ | 2082 | 2062 | 0.991 | 76 | 98 |
| 2 | Σ | 899 | 859 | 0.955 | 76 | 99 | ||
| 3 | Π | 483 | 520 | 1.077 | 76 | 100 | ||
| CS2 | Carbon disulfide | 1 | Σg | 683 | 658 | 0.963 | 77 | 101 |
| 2 | Σu | 1629 | 1535 | 0.942 | 77 | 102 | ||
| 3 | Πu | 381 | 397 | 1.041 | 77 | 103 | ||
| ClCN | chlorocyanogen | 1 | Σ | 2141 | 2216 | 1.035 | 78 | 104 |
| 2 | Σ | 753 | 744 | 0.988 | 78 | 105 | ||
| 3 | Π | 326 | 378 | 1.158 | 78 | 106 | ||
| AlH3 | aluminum trihydride | 1 | A1' | 2009 | 1900 | 0.946 | 79 | 107 |
| 2 | A2" | 741 | 698 | 0.941 | 79 | 108 | ||
| 3 | E' | 2016 | 1883 | 0.934 | 79 | 109 | ||
| 4 | E' | 829 | 783 | 0.945 | 79 | 110 | ||
| SiH3 | Silyl radical | 1 | A1 | 2319 | 2136 | 0.921 | 80 | 111 |
| 2 | A1 | 824 | 728 | 0.884 | 80 | 112 | ||
| 3 | E | 2354 | 2185 | 0.928 | 80 | 113 | ||
| 4 | E | 986 | 922 | 0.935 | 80 | 114 | ||
| C2N2 | Cyanogen | 1 | Σg | 2244 | 2330 | 1.038 | 81 | 115 |
| 2 | Σg | 863 | 846 | 0.980 | 81 | 116 | ||
| 3 | Σu | 2053 | 2158 | 1.051 | 81 | 117 | ||
| 4 | Πg | 459 | 503 | 1.095 | 81 | 118 | ||
| 5 | Πu | 226 | 234 | 1.038 | 81 | 119 | ||
| PH3 | Phosphine | 1 | A1 | 2528 | 2323 | 0.919 | 82 | 120 |
| 2 | A1 | 1074 | 992 | 0.924 | 82 | 121 | ||
| 3 | E | 2543 | 2328 | 0.915 | 82 | 122 | ||
| 4 | E | 1181 | 1118 | 0.947 | 82 | 123 | ||
| P4 | Phosphorus tetramer | 1 | A1 | 626 | 601 | 0.960 | 83 | 124 |
| 2 | E | 362 | 361 | 0.996 | 83 | 125 | ||
| 3 | T2 | 471 | 467 | 0.991 | 83 | 126 | ||
| B2O2 | Diboron dioxide | 1 | Σg | 2049 | 2060 | 1.006 | 84 | 127 |
| 2 | Σg | 619 | 585 | 0.945 | 84 | 128 | ||
| 3 | Σu | 1871 | 1898 | 1.014 | 84 | 129 | ||
| 4 | Πg | 498 | 410 | 0.824 | 84 | 130 | ||
| 5 | Πu | 215 | 213 | 0.991 | 84 | 131 | ||
| H2S2 | Disulfane | 1 | A | 2797 | 2556 | 0.914 | 85 | 132 |
| 2 | A | 947 | 882 | 0.931 | 85 | 133 | ||
| 3 | A | 535 | 515 | 0.961 | 85 | 134 | ||
| 4 | A | 444 | 417 | 0.941 | 85 | 135 | ||
| 5 | B | 2799 | 2559 | 0.914 | 85 | 136 | ||
| 6 | B | 940 | 878 | 0.934 | 85 | 137 | ||
| CF3 | Trifluoromethyl radical | 1 | A1 | 1095 | 1089 | 0.994 | 86 | 138 |
| 2 | A1 | 693 | 701 | 1.011 | 86 | 139 | ||
| 3 | E | 1260 | 1260 | 1.000 | 86 | 140 | ||
| 4 | E | 497 | 509 | 1.023 | 86 | 141 | ||
| AlF3 | Aluminum trifluoride | 1 | A1' | 681 | 690 | 1.014 | 87 | 142 |
| 2 | A2" | 298 | 297 | 0.997 | 87 | 143 | ||
| 3 | E' | 946 | 935 | 0.988 | 87 | 144 | ||
| 4 | E' | 243 | 263 | 1.082 | 87 | 145 | ||
| ClF3 | Chlorine trifluoride | 1 | A1 | 756 | 752 | 0.995 | 88 | 146 |
| 2 | A1 | 512 | 529 | 1.033 | 88 | 147 | ||
| 3 | A1 | 298 | 328 | 1.099 | 88 | 148 | ||
| 4 | B1 | 310 | 328 | 1.056 | 88 | 149 | ||
| 5 | B2 | 728 | 702 | 0.964 | 88 | 150 | ||
| 6 | B2 | 404 | 442 | 1.095 | 88 | 151 | ||
| PCl3 | Phosphorus trichloride | 1 | A1 | 522 | 504 | 0.966 | 89 | 152 |
| 2 | A1 | 268 | 252 | 0.940 | 89 | 153 | ||
| 3 | E | 518 | 482 | 0.931 | 89 | 154 | ||
| 4 | E | 186 | 198 | 1.066 | 89 | 155 | ||
| CH4 | Methane | 1 | A1 | 3120 | 2917 | 0.935 | 90 | 156 |
| 2 | E | 1600 | 1534 | 0.959 | 90 | 157 | ||
| 3 | T2 | 3265 | 3019 | 0.925 | 90 | 158 | ||
| 4 | T2 | 1395 | 1306 | 0.936 | 90 | 159 | ||
| SiH4 | Silane | 1 | A1 | 2343 | 2187 | 0.933 | 91 | 160 |
| 2 | E | 1019 | 975 | 0.957 | 91 | 161 | ||
| 3 | T2 | 2352 | 2191 | 0.932 | 91 | 162 | ||
| 4 | T2 | 975 | 914 | 0.937 | 91 | 163 | ||
| C3O2 | Carbon suboxide | 1 | Σg | 2223 | 2196 | 0.988 | 92 | 164 |
| 2 | Σg | 773 | 786 | 1.017 | 92 | 165 | ||
| 3 | Σu | 2456 | 2258 | 0.919 | 92 | 166 | ||
| 4 | Σu | 1598 | 1573 | 0.984 | 92 | 167 | ||
| 5 | Πg | 567 | 573 | 1.010 | 92 | 168 | ||
| 6 | Πu | 583 | 550 | 0.944 | 92 | 169 | ||
| 7 | Πu | 136 | 61 | 0.449 | 92 | 170 | ||
| CH3F | Methyl fluoride | 1 | A1 | 3144 | 2930 | 0.932 | 93 | 171 |
| 2 | A1 | 1525 | 1464 | 0.960 | 93 | 172 | ||
| 3 | A1 | 1057 | 1049 | 0.992 | 93 | 173 | ||
| 4 | E | 3260 | 3006 | 0.922 | 93 | 174 | ||
| 5 | E | 1551 | 1467 | 0.946 | 93 | 175 | ||
| 6 | E | 1214 | 1182 | 0.974 | 93 | 176 | ||
| CF4 | Carbon tetrafluoride | 1 | A1 | 898 | 909 | 1.012 | 94 | 177 |
| 2 | E | 425 | 435 | 1.024 | 94 | 178 | ||
| 3 | T2 | 1284 | 1280 | 0.997 | 94 | 179 | ||
| 4 | T2 | 617 | 631 | 1.023 | 94 | 180 | ||
| SiF4 | Silicon tetrafluoride | 1 | A1 | 771 | 800 | 1.038 | 95 | 181 |
| 2 | E | 252 | 268 | 1.062 | 95 | 182 | ||
| 3 | T2 | 1007 | 1032 | 1.025 | 95 | 183 | ||
| 4 | T2 | 376 | 389 | 1.034 | 95 | 184 | ||
| CH3Cl | Methyl chloride | 1 | A1 | 3161 | 2966 | 0.938 | 96 | 185 |
| 2 | A1 | 1458 | 1355 | 0.929 | 96 | 186 | ||
| 3 | A1 | 782 | 732 | 0.937 | 96 | 187 | ||
| 4 | E | 3278 | 3042 | 0.928 | 96 | 188 | ||
| 5 | E | 1525 | 1455 | 0.954 | 96 | 189 | ||
| 6 | E | 1074 | 1015 | 0.945 | 96 | 190 | ||
| ClFO3 | Perchloryl fluoride | 1 | A1 | 1084 | 1061 | 0.978 | 97 | 191 |
| 2 | A1 | 646 | 715 | 1.107 | 97 | 192 | ||
| 3 | A1 | 483 | 549 | 1.136 | 97 | 193 | ||
| 4 | E | 1334 | 1315 | 0.986 | 97 | 194 | ||
| 5 | E | 536 | 589 | 1.098 | 97 | 195 | ||
| 6 | E | 346 | 405 | 1.170 | 97 | 196 | ||
| CCl4 | Carbon tetrachloride | 1 | A1 | 478 | 459 | 0.961 | 98 | 197 |
| 2 | E | 225 | 217 | 0.963 | 98 | 198 | ||
| 3 | T2 | 826 | 776 | 0.939 | 98 | 199 | ||
| 4 | T2 | 333 | 314 | 0.943 | 98 | 200 | ||
| Cl3PO | Phosphoryl chloride | 1 | A1 | 1307 | 1322 | 1.012 | 99 | 201 |
| 2 | A1 | 488 | 481 | 0.985 | 99 | 202 | ||
| 3 | A1 | 272 | 266 | 0.978 | 99 | 203 | ||
| 4 | E | 606 | 590 | 0.973 | 99 | 204 | ||
| 5 | E | 333 | 333 | 0.999 | 99 | 205 | ||
| 6 | E | 189 | 187 | 0.987 | 99 | 206 | ||
| SiCl4 | Silane, tetrachloro- | 1 | A1 | 433 | 424 | 0.979 | 100 | 207 |
| 2 | E | 149 | 150 | 1.006 | 100 | 208 | ||
| 3 | T2 | 641 | 621 | 0.969 | 100 | 209 | ||
| 4 | T2 | 226 | 221 | 0.979 | 100 | 210 | ||
| CH3CN | Acetonitrile | 1 | A1 | 3143 | 2954 | 0.940 | 101 | 211 |
| 2 | A1 | 2218 | 2267 | 1.022 | 101 | 212 | ||
| 3 | A1 | 1455 | 1385 | 0.952 | 101 | 213 | ||
| 4 | A1 | 939 | 920 | 0.980 | 101 | 214 | ||
| 5 | E | 3245 | 3009 | 0.927 | 101 | 215 | ||
| 6 | E | 1522 | 1448 | 0.951 | 101 | 216 | ||
| 7 | E | 1082 | 1041 | 0.962 | 101 | 217 | ||
| 8 | E | 334 | 362 | 1.084 | 101 | 218 | ||
| CH3OH | Methyl alcohol | 1 | A' | 3897 | 3681 | 0.945 | 102 | 219 |
| 2 | A' | 3249 | 3000 | 0.923 | 102 | 220 | ||
| 3 | A' | 3102 | 2844 | 0.917 | 102 | 221 | ||
| 4 | A' | 1562 | 1477 | 0.946 | 102 | 222 | ||
| 5 | A' | 1523 | 1455 | 0.956 | 102 | 223 | ||
| 6 | A' | 1377 | 1345 | 0.977 | 102 | 224 | ||
| 7 | A' | 1090 | 1060 | 0.973 | 102 | 225 | ||
| 8 | A' | 1065 | 1033 | 0.970 | 102 | 226 | ||
| 9 | A" | 3180 | 2960 | 0.931 | 102 | 227 | ||
| 10 | A" | 1549 | 1477 | 0.953 | 102 | 228 | ||
| 11 | A" | 1199 | 1165 | 0.972 | 102 | 229 | ||
| 12 | A" | 326 | 200 | 0.614 | 102 | 230 | ||
| CH3SH | Methanethiol | 1 | A' | 3253 | 3000 | 0.922 | 103 | 231 |
| 2 | A' | 3144 | 2931 | 0.932 | 103 | 232 | ||
| 3 | A' | 2829 | 2597 | 0.918 | 103 | 233 | ||
| 4 | A' | 1528 | 1475 | 0.966 | 103 | 234 | ||
| 5 | A' | 1434 | 1335 | 0.931 | 103 | 235 | ||
| 6 | A' | 1143 | 1074 | 0.940 | 103 | 236 | ||
| 7 | A' | 835 | 803 | 0.962 | 103 | 237 | ||
| 8 | A' | 756 | 708 | 0.937 | 103 | 238 | ||
| 9 | A" | 3248 | 3000 | 0.924 | 103 | 239 | ||
| 10 | A" | 1505 | 1430 | 0.950 | 103 | 240 | ||
| 11 | A" | 1019 | 976 | 0.958 | 103 | 241 | ||
| CF3CN | Acetonitrile, trifluoro- | 1 | A1 | 2196 | 2275 | 1.036 | 104 | 242 |
| 2 | A1 | 1258 | 1227 | 0.975 | 104 | 243 | ||
| 3 | A1 | 804 | 802 | 0.997 | 104 | 244 | ||
| 4 | A1 | 520 | 522 | 1.003 | 104 | 245 | ||
| 5 | E | 1212 | 1214 | 1.001 | 104 | 246 | ||
| 6 | E | 614 | 618 | 1.006 | 104 | 247 | ||
| 7 | E | 452 | 463 | 1.025 | 104 | 248 | ||
| 8 | E | 178 | 196 | 1.102 | 104 | 249 | ||
| PF5 | Phosphorus pentafluoride | 1 | A1' | 778 | 816 | 1.049 | 105 | 250 |
| 2 | A1' | 644 | 648 | 1.006 | 105 | 251 | ||
| 3 | A2" | 959 | 947 | 0.988 | 105 | 252 | ||
| 4 | A2" | 540 | 575 | 1.065 | 105 | 253 | ||
| 5 | E' | 1005 | 1024 | 1.019 | 105 | 254 | ||
| 6 | E' | 503 | 533 | 1.060 | 105 | 255 | ||
| 7 | E' | 163 | 174 | 1.068 | 105 | 256 | ||
| 8 | E" | 477 | 520 | 1.089 | 105 | 257 | ||
| PCl5 | Phosphorus pentachloride | 1 | A1' | 400 | 395 | 0.987 | 106 | 258 |
| 2 | A1' | 290 | 370 | 1.276 | 106 | 259 | ||
| 3 | A2" | 464 | 465 | 1.002 | 106 | 260 | ||
| 4 | A2" | 311 | 299 | 0.961 | 106 | 261 | ||
| 5 | E' | 588 | 592 | 1.007 | 106 | 262 | ||
| 6 | E' | 276 | 273 | 0.991 | 106 | 263 | ||
| 7 | E' | 95 | 100 | 1.055 | 106 | 264 | ||
| 8 | E" | 267 | 261 | 0.979 | 106 | 265 | ||
| CH2N4 | 1H-Tetrazole | 1 | A' | 3711 | 3447 | 0.929 | 107 | 266 |
| 2 | A' | 3375 | 3102 | 0.919 | 107 | 267 | ||
| 3 | A' | 1500 | 1441 | 0.961 | 107 | 268 | ||
| 4 | A' | 1492 | 1384 | 0.928 | 107 | 269 | ||
| 5 | A' | 1273 | 1259 | 0.989 | 107 | 270 | ||
| 6 | A' | 1196 | 1159 | 0.969 | 107 | 271 | ||
| 7 | A' | 1149 | 1084 | 0.944 | 107 | 272 | ||
| 8 | A' | 1112 | 1015 | 0.913 | 107 | 273 | ||
| 9 | A' | 1085 | 1002 | 0.924 | 107 | 274 | ||
| 10 | A' | 1005 | 969 | 0.964 | 107 | 275 | ||
| 11 | A' | 962 | 925 | 0.961 | 107 | 276 | ||
| 12 | A" | 803 | 906 | 1.128 | 107 | 277 | ||
| 13 | A" | 715 | 663 | 0.927 | 107 | 278 | ||
| 14 | A" | 685 | 658 | 0.960 | 107 | 279 | ||
| 15 | A" | 570 | 578 | 1.014 | 107 | 280 | ||
| SF6 | Sulfur Hexafluoride | 1 | A1g | 735 | 774 | 1.052 | 108 | 281 |
| 2 | Eg | 631 | 642 | 1.017 | 108 | 282 | ||
| 3 | T1u | 943 | 948 | 1.005 | 108 | 283 | ||
| 4 | T1u | 575 | 616 | 1.071 | 108 | 284 | ||
| 5 | T2g | 484 | 525 | 1.086 | 108 | 285 | ||
| 6 | T2u | 320 | 347 | 1.083 | 108 | 286 | ||
| CH3SiH3 | methyl silane | 1 | A1 | 3123 | 2898 | 0.928 | 109 | 287 |
| 2 | A1 | 2325 | 2166 | 0.932 | 109 | 288 | ||
| 3 | A1 | 1352 | 1260 | 0.932 | 109 | 289 | ||
| 4 | A1 | 992 | 940 | 0.947 | 109 | 290 | ||
| 5 | A1 | 715 | 700 | 0.978 | 109 | 291 | ||
| 6 | A2 | 206 | 187 | 0.907 | 109 | 292 | ||
| 7 | E | 3226 | 2982 | 0.924 | 109 | 293 | ||
| 8 | E | 2328 | 2169 | 0.932 | 109 | 294 | ||
| 9 | E | 1501 | 1403 | 0.935 | 109 | 295 | ||
| 10 | E | 1008 | 980 | 0.972 | 109 | 296 | ||
| 11 | E | 921 | 868 | 0.942 | 109 | 297 | ||
| 12 | E | 532 | 540 | 1.016 | 109 | 298 | ||
| C3H3NO | Oxazole | 1 | A' | 3384 | 3170 | 0.937 | 110 | 299 |
| 2 | A' | 3370 | 3144 | 0.933 | 110 | 300 | ||
| 3 | A' | 3352 | 3141 | 0.937 | 110 | 301 | ||
| 4 | A' | 1570 | 1537 | 0.979 | 110 | 302 | ||
| 5 | A' | 1530 | 1504 | 0.983 | 110 | 303 | ||
| 6 | A' | 1379 | 1324 | 0.960 | 110 | 304 | ||
| 7 | A' | 1294 | 1252 | 0.968 | 110 | 305 | ||
| 8 | A' | 1199 | 1139 | 0.950 | 110 | 306 | ||
| 9 | A' | 1148 | 1086 | 0.946 | 110 | 307 | ||
| 10 | A' | 1125 | 1078 | 0.958 | 110 | 308 | ||
| 11 | A' | 1091 | 1046 | 0.959 | 110 | 309 | ||
| 12 | A' | 915 | 899 | 0.983 | 110 | 310 | ||
| 13 | A' | 908 | 854 | 0.941 | 110 | 311 | ||
| 14 | A" | 818 | 907 | 1.109 | 110 | 312 | ||
| 15 | A" | 804 | 830 | 1.032 | 110 | 313 | ||
| 16 | A" | 724 | 750 | 1.035 | 110 | 314 | ||
| 17 | A" | 652 | 647 | 0.992 | 110 | 315 | ||
| 18 | A" | 602 | 607 | 1.008 | 110 | 316 | ||
| CH3CF3 | Ethane, 1,1,1-trifluoro- | 1 | A1 | 3158 | 2974 | 0.942 | 111 | 317 |
| 2 | A1 | 1482 | 1412 | 0.953 | 111 | 318 | ||
| 3 | A1 | 1323 | 1278 | 0.966 | 111 | 319 | ||
| 4 | A1 | 833 | 828 | 0.994 | 111 | 320 | ||
| 5 | A1 | 598 | 606 | 1.014 | 111 | 321 | ||
| 6 | A2 | 253 | 225 | 0.889 | 111 | 322 | ||
| 7 | E | 3271 | 3042 | 0.930 | 111 | 323 | ||
| 8 | E | 1532 | 1450 | 0.946 | 111 | 324 | ||
| 9 | E | 1253 | 1230 | 0.982 | 111 | 325 | ||
| 10 | E | 996 | 964 | 0.968 | 111 | 326 | ||
| 11 | E | 530 | 540 | 1.018 | 111 | 327 | ||
| 12 | E | 365 | 365 | 0.999 | 111 | 328 | ||
| CH3CCl3 | Ethane, 1,1,1-trichloro- | 1 | A1 | 3140 | 2951 | 0.940 | 112 | 329 |
| 2 | A1 | 1465 | 1386 | 0.946 | 112 | 330 | ||
| 3 | A1 | 1129 | 1075 | 0.952 | 112 | 331 | ||
| 4 | A1 | 547 | 526 | 0.961 | 112 | 332 | ||
| 5 | A1 | 364 | 344 | 0.946 | 112 | 333 | ||
| 6 | A2 | 332 | 214 | 0.644 | 112 | 334 | ||
| 7 | E | 3251 | 3014 | 0.927 | 112 | 335 | ||
| 8 | E | 1519 | 1457 | 0.959 | 112 | 336 | ||
| 9 | E | 1143 | 1088 | 0.952 | 112 | 337 | ||
| 10 | E | 769 | 724 | 0.941 | 112 | 338 | ||
| 11 | E | 361 | 351 | 0.973 | 112 | 339 | ||
| 12 | E | 251 | 239 | 0.951 | 112 | 340 | ||
| C3H4N2 | 1H-Imidazole | 1 | A' | 3724 | 3517 | 0.944 | 113 | 341 |
| 2 | A' | 3360 | 3143 | 0.935 | 113 | 342 | ||
| 3 | A' | 3342 | 3123 | 0.935 | 113 | 343 | ||
| 4 | A' | 3335 | 3110 | 0.932 | 113 | 344 | ||
| 5 | A' | 1560 | 1448 | 0.928 | 113 | 345 | ||
| 6 | A' | 1525 | 1404 | 0.921 | 113 | 346 | ||
| 7 | A' | 1487 | 1328 | 0.893 | 113 | 347 | ||
| 8 | A' | 1395 | 1265 | 0.907 | 113 | 348 | ||
| 9 | A' | 1297 | 1188 | 0.916 | 113 | 349 | ||
| 10 | A' | 1191 | 1098 | 0.922 | 113 | 350 | ||
| 11 | A' | 1169 | 1062 | 0.908 | 113 | 351 | ||
| 12 | A' | 1121 | 1013 | 0.903 | 113 | 352 | ||
| 13 | A' | 1098 | 988 | 0.900 | 113 | 353 | ||
| 14 | A' | 938 | 923 | 0.984 | 113 | 354 | ||
| 15 | A' | 899 | 898 | 0.998 | 113 | 355 | ||
| 16 | A" | 808 | 831 | 1.029 | 113 | 356 | ||
| 17 | A" | 762 | 758 | 0.995 | 113 | 357 | ||
| 18 | A" | 687 | 674 | 0.982 | 113 | 358 | ||
| 19 | A" | 666 | 663 | 0.995 | 113 | 359 | ||
| 20 | A" | 615 | 621 | 1.009 | 113 | 360 | ||
| 21 | A" | 475 | 539 | 1.135 | 113 | 361 | ||
| C3H3N3 | 1,3,5-Triazine | 1 | A1' | 3279 | 3042 | 0.928 | 114 | 362 |
| 2 | A1' | 1144 | 1132 | 0.990 | 114 | 363 | ||
| 3 | A1' | 1014 | 992 | 0.979 | 114 | 364 | ||
| 4 | A2' | 1423 | 1278 | 0.898 | 114 | 365 | ||
| 5 | A2' | 1254 | 1068 | 0.852 | 114 | 366 | ||
| 6 | A2" | 909 | 925 | 1.018 | 114 | 367 | ||
| 7 | A2" | 753 | 737 | 0.979 | 114 | 368 | ||
| 8 | E' | 3275 | 3056 | 0.933 | 114 | 369 | ||
| 9 | E' | 1611 | 1555 | 0.965 | 114 | 370 | ||
| 10 | E' | 1463 | 1410 | 0.964 | 114 | 371 | ||
| 11 | E' | 1205 | 1176 | 0.976 | 114 | 372 | ||
| 12 | E' | 687 | 657 | 0.957 | 114 | 373 | ||
| 13 | E" | 1015 | 830 | 0.818 | 114 | 374 | ||
| 14 | E" | 345 | 340 | 0.986 | 114 | 375 | ||
| C3H6O | 2-Propen-1-ol | 1 | A | 3873 | 3675 | 0.949 | 115 | 376 |
| 2 | A | 3334 | 3102 | 0.930 | 115 | 377 | ||
| 3 | A | 3254 | 3022 | 0.929 | 115 | 378 | ||
| 4 | A | 3231 | 2995 | 0.927 | 115 | 379 | ||
| 5 | A | 3136 | 2934 | 0.936 | 115 | 380 | ||
| 6 | A | 3080 | 2866 | 0.930 | 115 | 381 | ||
| 7 | A | 1728 | 1654 | 0.957 | 115 | 382 | ||
| 8 | A | 1561 | 1453 | 0.931 | 115 | 383 | ||
| 9 | A | 1505 | 1414 | 0.939 | 115 | 384 | ||
| 10 | A | 1443 | 1384 | 0.959 | 115 | 385 | ||
| 11 | A | 1335 | 1320 | 0.989 | 115 | 386 | ||
| 12 | A | 1296 | 1293 | 0.997 | 115 | 387 | ||
| 13 | A | 1240 | 1191 | 0.960 | 115 | 388 | ||
| 14 | A | 1186 | 1132 | 0.954 | 115 | 389 | ||
| 15 | A | 1069 | 1110 | 1.038 | 115 | 390 | ||
| 16 | A | 1027 | 1038 | 1.011 | 115 | 391 | ||
| 17 | A | 984 | 995 | 1.011 | 115 | 392 | ||
| 18 | A | 943 | 919 | 0.974 | 115 | 393 | ||
| 19 | A | 937 | 885 | 0.944 | 115 | 394 | ||
| 20 | A | 662 | 606 | 0.916 | 115 | 395 | ||
| 22 | A | 344 | 377 | 1.098 | 115 | 396 | ||
| 23 | A | 262 | 277 | 1.057 | 115 | 397 | ||
| 24 | A | 113 | 188 | 1.666 | 115 | 398 | ||
| CH3OCH2CN | Methoxyacetonitrile | 1 | A | 3259 | 3018 | 0.926 | 116 | 399 |
| 2 | A | 3213 | 2985 | 0.929 | 116 | 400 | ||
| 3 | A | 3180 | 2958 | 0.930 | 116 | 401 | ||
| 4 | A | 3096 | 2945 | 0.951 | 116 | 402 | ||
| 5 | A | 3093 | 2922 | 0.945 | 116 | 403 | ||
| 6 | A | 2194 | 2245 | 1.023 | 116 | 404 | ||
| 7 | A | 1556 | 1472 | 0.946 | 116 | 405 | ||
| 8 | A | 1540 | 1452 | 0.943 | 116 | 406 | ||
| 9 | A | 1525 | 1439 | 0.944 | 116 | 407 | ||
| 10 | A | 1513 | 1431 | 0.946 | 116 | 408 | ||
| 11 | A | 1411 | 1368 | 0.970 | 116 | 409 | ||
| 12 | A | 1325 | 1287 | 0.971 | 116 | 410 | ||
| 13 | A | 1235 | 1199 | 0.971 | 116 | 411 | ||
| 14 | A | 1202 | 1161 | 0.966 | 116 | 412 | ||
| 15 | A | 1170 | 1127 | 0.964 | 116 | 413 | ||
| 16 | A | 1047 | 1016 | 0.971 | 116 | 414 | ||
| 17 | A | 952 | 925 | 0.972 | 116 | 415 | ||
| 18 | A | 913 | 890 | 0.975 | 116 | 416 | ||
| 19 | A | 587 | 586 | 0.998 | 116 | 417 | ||
| 20 | A | 391 | 404 | 1.034 | 116 | 418 | ||
| 21 | A | 329 | 347 | 1.054 | 116 | 419 | ||
| 22 | A | 252 | 243 | 0.962 | 116 | 420 | ||
| 23 | A | 172 | 170 | 0.989 | 116 | 421 | ||
| 24 | A | 118 | 113 | 0.959 | 116 | 422 | ||
| C6H6 | Benzene | 1 | A1g | 3278 | 3062 | 0.934 | 117 | 423 |
| 2 | A1g | 1020 | 992 | 0.973 | 117 | 424 | ||
| 3 | A2g | 1392 | 1326 | 0.953 | 117 | 425 | ||
| 4 | A2u | 675 | 673 | 0.997 | 117 | 426 | ||
| 5 | B1u | 3243 | 3068 | 0.946 | 117 | 427 | ||
| 6 | B1u | 1017 | 1010 | 0.993 | 117 | 428 | ||
| 7 | B2g | 879 | 995 | 1.132 | 117 | 429 | ||
| 8 | B2g | 292 | 703 | 2.411 | 117 | 430 | ||
| 9 | B2u | 1465 | 1310 | 0.894 | 117 | 431 | ||
| 10 | B2u | 1195 | 1150 | 0.962 | 117 | 432 | ||
| 11 | E1g | 837 | 849 | 1.014 | 117 | 433 | ||
| 12 | E1u | 3268 | 3063 | 0.937 | 117 | 434 | ||
| 13 | E1u | 1531 | 1486 | 0.971 | 117 | 435 | ||
| 14 | E1u | 1075 | 1038 | 0.966 | 117 | 436 | ||
| 15 | E2g | 3253 | 3047 | 0.937 | 117 | 437 | ||
| 16 | E2g | 1662 | 1596 | 0.960 | 117 | 438 | ||
| 17 | E2g | 1218 | 1178 | 0.967 | 117 | 439 | ||
| 18 | E2g | 616 | 606 | 0.984 | 117 | 440 | ||
| 19 | E2u | 897 | 975 | 1.087 | 117 | 441 | ||
| 20 | E2u | 377 | 410 | 1.087 | 117 | 442 | ||
| C6H10 | 1,5-Hexadiene | 1 | A | 3328 | 3082 | 0.926 | 118 | 443 |
| 2 | A | 3230 | 3005 | 0.930 | 118 | 444 | ||
| 3 | A | 3216 | 2984 | 0.928 | 118 | 445 | ||
| 4 | A | 3171 | 2846 | 0.898 | 118 | 446 | ||
| 5 | A | 3094 | 1642 | 0.531 | 118 | 447 | ||
| 6 | A | 1716 | 1442 | 0.840 | 118 | 448 | ||
| 7 | A | 1521 | 1416 | 0.931 | 118 | 449 | ||
| 8 | A | 1487 | 1334 | 0.897 | 118 | 450 | ||
| 9 | A | 1394 | 1280 | 0.918 | 118 | 451 | ||
| 10 | A | 1342 | 1187 | 0.885 | 118 | 452 | ||
| 11 | A | 1265 | 1025 | 0.810 | 118 | 453 | ||
| 12 | A | 1107 | 924 | 0.834 | 118 | 454 | ||
| 13 | A | 1073 | 402 | 0.375 | 118 | 455 | ||
| 14 | A | 1027 | 351 | 0.342 | 118 | 456 | ||
| 15 | A | 972 | 2905 | 2.990 | 118 | 457 | ||
| 16 | A | 923 | 1212 | 1.313 | 118 | 458 | ||
| 17 | A | 794 | 995 | 1.253 | 118 | 459 | ||
| 18 | A | 639 | 912 | 1.427 | 118 | 460 | ||
| 19 | A | 423 | 774 | 1.830 | 118 | 461 | ||
| 20 | A | 354 | 649 | 1.832 | 118 | 462 | ||
| 23 | B | 3328 | 2911 | 0.875 | 118 | 463 | ||
| 24 | B | 3229 | 1280 | 0.396 | 118 | 464 | ||
| 26 | B | 3152 | 996 | 0.316 | 118 | 465 | ||
| 27 | B | 3101 | 913 | 0.294 | 118 | 466 | ||
| 28 | B | 1719 | 614 | 0.357 | 118 | 467 | ||
| 29 | B | 1531 | 264 | 0.172 | 118 | 468 | ||
| 30 | B | 1490 | 3080 | 2.068 | 118 | 469 | ||
| 31 | B | 1348 | 2995 | 2.221 | 118 | 470 | ||
| 32 | B | 1330 | 2975 | 2.237 | 118 | 471 | ||
| 33 | B | 1291 | 2835 | 2.196 | 118 | 472 | ||
| 34 | B | 1206 | 1642 | 1.361 | 118 | 473 | ||
| 35 | B | 1029 | 1445 | 1.404 | 118 | 474 | ||
| 36 | B | 982 | 1419 | 1.445 | 118 | 475 | ||
| 38 | B | 923 | 1246 | 1.349 | 118 | 476 | ||
| 41 | B | 221 | 552 | 2.499 | 118 | 477 | ||
| C8H8 | cubane | 1 | A1g | 3211 | 2995 | 0.933 | 119 | 478 |
| 2 | A1g | 1039 | 1002 | 0.965 | 119 | 479 | ||
| 3 | A2u | 3174 | 2978 | 0.938 | 119 | 480 | ||
| 4 | A2u | 974 | 839 | 0.862 | 119 | 481 | ||
| 5 | Eg | 1143 | 1083 | 0.948 | 119 | 482 | ||
| 6 | Eg | 939 | 912 | 0.971 | 119 | 483 | ||
| 7 | Eu | 1089 | 1151 | 1.056 | 119 | 484 | ||
| 8 | Eu | 574 | 617 | 1.074 | 119 | 485 | ||
| 9 | T1g | 1164 | 1130 | 0.971 | 119 | 486 | ||
| 10 | T1u | 3193 | 2978 | 0.933 | 119 | 487 | ||
| 11 | T1u | 1292 | 1230 | 0.952 | 119 | 488 | ||
| 12 | T1u | 880 | 853 | 0.969 | 119 | 489 | ||
| 13 | T2g | 3185 | 2970 | 0.933 | 119 | 490 | ||
| 14 | T2g | 1217 | 1182 | 0.971 | 119 | 491 | ||
| 15 | T2g | 833 | 821 | 0.986 | 119 | 492 | ||
| 16 | T2g | 639 | 665 | 1.041 | 119 | 493 | ||
| 17 | T2u | 1082 | 1036 | 0.957 | 119 | 494 | ||
| 18 | T2u | 849 | 829 | 0.977 | 119 | 495 | ||
| C5H12 | Pentane | 1 | A1 | 3206 | 2973 | 0.927 | 120 | 496 |
| 2 | A1 | 3110 | 2892 | 0.930 | 120 | 497 | ||
| 3 | A1 | 3106 | 2866 | 0.923 | 120 | 498 | ||
| 4 | A1 | 3086 | 2866 | 0.929 | 120 | 499 | ||
| 5 | A1 | 1554 | 1480 | 0.952 | 120 | 500 | ||
| 6 | A1 | 1540 | 1463 | 0.950 | 120 | 501 | ||
| 7 | A1 | 1530 | 1450 | 0.948 | 120 | 502 | ||
| 8 | A1 | 1456 | 1379 | 0.947 | 120 | 503 | ||
| 9 | A1 | 1400 | 1346 | 0.961 | 120 | 504 | ||
| 10 | A1 | 1196 | 1144 | 0.956 | 120 | 505 | ||
| 11 | A1 | 1089 | 1036 | 0.952 | 120 | 506 | ||
| 12 | A1 | 900 | 867 | 0.963 | 120 | 507 | ||
| 13 | A1 | 408 | 401 | 0.983 | 120 | 508 | ||
| 14 | A1 | 181 | 179 | 0.991 | 120 | 509 | ||
| 15 | A2 | 3203 | 2967 | 0.926 | 120 | 510 | ||
| 16 | A2 | 3152 | 2908 | 0.923 | 120 | 511 | ||
| 17 | A2 | 1544 | 1462 | 0.947 | 120 | 512 | ||
| 18 | A2 | 1353 | 1346 | 0.995 | 120 | 513 | ||
| 19 | A2 | 1298 | 1269 | 0.978 | 120 | 514 | ||
| 20 | A2 | 1011 | 993 | 0.982 | 120 | 515 | ||
| 21 | A2 | 784 | 766 | 0.977 | 120 | 516 | ||
| 22 | A2 | 260 | 210 | 0.807 | 120 | 517 | ||
| 23 | A2 | 103 | 131 | 1.267 | 120 | 518 | ||
| 24 | B1 | 3203 | 2965 | 0.926 | 120 | 519 | ||
| 25 | B1 | 3165 | 2930 | 0.926 | 120 | 520 | ||
| 26 | B1 | 3131 | 2930 | 0.936 | 120 | 521 | ||
| 27 | B1 | 1544 | 1469 | 0.952 | 120 | 522 | ||
| 28 | B1 | 1351 | 1303 | 0.964 | 120 | 523 | ||
| 29 | B1 | 1244 | 1170 | 0.941 | 120 | 524 | ||
| 30 | B1 | 887 | 858 | 0.968 | 120 | 525 | ||
| 31 | B1 | 746 | 727 | 0.975 | 120 | 526 | ||
| 32 | B1 | 249 | 215 | 0.863 | 120 | 527 | ||
| 33 | B1 | 116 | 88 | 0.760 | 120 | 528 | ||
| 34 | B2 | 3205 | 2965 | 0.925 | 120 | 529 | ||
| 35 | B2 | 3110 | 2879 | 0.926 | 120 | 530 | ||
| 36 | B2 | 3101 | 2866 | 0.924 | 120 | 531 | ||
| 37 | B2 | 1548 | 1476 | 0.953 | 120 | 532 | ||
| 38 | B2 | 1532 | 1456 | 0.950 | 120 | 533 | ||
| 39 | B2 | 1453 | 1389 | 0.956 | 120 | 534 | ||
| 40 | B2 | 1443 | 1379 | 0.955 | 120 | 535 | ||
| 41 | B2 | 1315 | 1269 | 0.965 | 120 | 536 | ||
| 42 | B2 | 1120 | 1073 | 0.958 | 120 | 537 | ||
| 43 | B2 | 1073 | 1024 | 0.955 | 120 | 538 | ||
| 44 | B2 | 958 | 910 | 0.950 | 120 | 539 | ||
| 45 | B2 | 404 | 406 | 1.005 | 120 | 540 | ||
| C5H12 | Propane, 2,2-dimethyl- | 1 | A1 | 3101 | 2909 | 0.938 | 121 | 541 |
| 2 | A1 | 1473 | 1381 | 0.938 | 121 | 542 | ||
| 3 | A1 | 755 | 733 | 0.971 | 121 | 543 | ||
| 4 | A2 | 197 | 198 | 1.005 | 121 | 544 | ||
| 5 | E | 3189 | 2955 | 0.927 | 121 | 545 | ||
| 6 | E | 1528 | 1451 | 0.949 | 121 | 546 | ||
| 7 | E | 1113 | 999 | 0.898 | 121 | 547 | ||
| 8 | E | 338 | 335 | 0.992 | 121 | 548 | ||
| 9 | T1 | 3188 | 2975 | 0.933 | 121 | 549 | ||
| 10 | T1 | 1521 | 1461 | 0.961 | 121 | 550 | ||
| 11 | T1 | 981 | 932 | 0.950 | 121 | 551 | ||
| 12 | T1 | 283 | 203 | 0.717 | 121 | 552 | ||
| 13 | T2 | 3194 | 2959 | 0.926 | 121 | 553 | ||
| 14 | T2 | 3093 | 2876 | 0.930 | 121 | 554 | ||
| 15 | T2 | 1557 | 1475 | 0.947 | 121 | 555 | ||
| 16 | T2 | 1434 | 1372 | 0.957 | 121 | 556 | ||
| 17 | T2 | 1320 | 1256 | 0.952 | 121 | 557 | ||
| 18 | T2 | 969 | 925 | 0.955 | 121 | 558 | ||
| 19 | T2 | 423 | 418 | 0.988 | 121 | 559 | ||
| C6H14 | Hexane | 1 | Ag | 3205 | 2966 | 0.926 | 122 | 560 |
| 2 | Ag | 3110 | 2877 | 0.925 | 122 | 561 | ||
| 3 | Ag | 3103 | 2863 | 0.923 | 122 | 562 | ||
| 4 | Ag | 3085 | 2852 | 0.925 | 122 | 563 | ||
| 5 | Ag | 1549 | 1460 | 0.942 | 122 | 564 | ||
| 6 | Ag | 1536 | 1460 | 0.951 | 122 | 565 | ||
| 7 | Ag | 1528 | 1440 | 0.943 | 122 | 566 | ||
| 8 | Ag | 1454 | 1397 | 0.960 | 122 | 567 | ||
| 9 | Ag | 1443 | 1366 | 0.946 | 122 | 568 | ||
| 10 | Ag | 1367 | 1305 | 0.955 | 122 | 569 | ||
| 11 | Ag | 1192 | 1140 | 0.956 | 122 | 570 | ||
| 12 | Ag | 1116 | 1065 | 0.954 | 122 | 571 | ||
| 13 | Ag | 1055 | 1007 | 0.954 | 122 | 572 | ||
| 14 | Ag | 931 | 901 | 0.967 | 122 | 573 | ||
| 15 | Ag | 375 | 371 | 0.988 | 122 | 574 | ||
| 16 | Ag | 302 | 305 | 1.009 | 122 | 575 | ||
| 17 | Au | 3203 | 2967 | 0.926 | 122 | 576 | ||
| 18 | Au | 3165 | 2936 | 0.928 | 122 | 577 | ||
| 19 | Au | 3140 | 2920 | 0.930 | 122 | 578 | ||
| 20 | Au | 1543 | 1460 | 0.946 | 122 | 579 | ||
| 21 | Au | 1359 | 1303 | 0.959 | 122 | 580 | ||
| 22 | Au | 1283 | 1222 | 0.952 | 122 | 581 | ||
| 23 | Au | 1029 | 1010 | 0.981 | 122 | 582 | ||
| 24 | Au | 827 | 824 | 0.996 | 122 | 583 | ||
| 25 | Au | 743 | 726 | 0.978 | 122 | 584 | ||
| 26 | Au | 259 | 216 | 0.833 | 122 | 585 | ||
| 27 | Au | 100 | 94 | 0.944 | 122 | 586 | ||
| 28 | Au | 72 | 61 | 0.851 | 122 | 587 | ||
| 29 | Bg | 3203 | 2966 | 0.926 | 122 | 588 | ||
| 30 | Bg | 3157 | 2908 | 0.921 | 122 | 589 | ||
| 31 | Bg | 3128 | 2908 | 0.930 | 122 | 590 | ||
| 32 | Bg | 1544 | 1460 | 0.946 | 122 | 591 | ||
| 33 | Bg | 1349 | 1305 | 0.967 | 122 | 592 | ||
| 34 | Bg | 1334 | 1283 | 0.962 | 122 | 593 | ||
| 35 | Bg | 1242 | 1168 | 0.941 | 122 | 594 | ||
| 36 | Bg | 927 | 894 | 0.964 | 122 | 595 | ||
| 37 | Bg | 762 | 740 | 0.971 | 122 | 596 | ||
| 38 | Bg | 248 | 208 | 0.839 | 122 | 597 | ||
| 39 | Bg | 146 | 125 | 0.855 | 122 | 598 | ||
| 40 | Bu | 3205 | 2967 | 0.926 | 122 | 599 | ||
| 41 | Bu | 3110 | 2884 | 0.927 | 122 | 600 | ||
| 42 | Bu | 3105 | 2867 | 0.923 | 122 | 601 | ||
| 43 | Bu | 3089 | 2851 | 0.923 | 122 | 602 | ||
| 44 | Bu | 1554 | 1476 | 0.950 | 122 | 603 | ||
| 45 | Bu | 1542 | 1465 | 0.950 | 122 | 604 | ||
| 46 | Bu | 1529 | 1452 | 0.950 | 122 | 605 | ||
| 47 | Bu | 1454 | 1387 | 0.954 | 122 | 606 | ||
| 48 | Bu | 1423 | 1375 | 0.966 | 122 | 607 | ||
| 49 | Bu | 1292 | 1249 | 0.966 | 122 | 608 | ||
| 50 | Bu | 1111 | 1061 | 0.955 | 122 | 609 | ||
| 51 | Bu | 1091 | 1035 | 0.948 | 122 | 610 | ||
| 52 | Bu | 920 | 888 | 0.965 | 122 | 611 | ||
| 53 | Bu | 474 | 470 | 0.991 | 122 | 612 | ||
| 54 | Bu | 132 | 139 | 1.050 | 122 | 613 | ||
| 300 | |
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| 250 | |
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| 200 | |
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| 150 | |
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| 100 | |
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| 50 | |
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| 0 | |
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| 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 | |||||||||||||||||||||||||||||||||||||||||||