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Computational Chemistry Comparison and Benchmark DataBase Release 21 (August 2020) 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 | 4161 | 0.903 | 1 | 1 |
LiH | Lithium Hydride | 1 | Σ | 1416 | 1360 | 0.960 | 2 | 2 |
Li2 | Lithium diatomic | 1 | Σg | 339 | 346 | 1.022 | 3 | 3 |
NaH | sodium hydride | 1 | Σ | 1191 | 1133 | 0.951 | 4 | 4 |
Na2 | Sodium diatomic | 1 | Σg | 158 | 158 | 0.995 | 5 | 5 |
BeH | beryllium monohydride | 1 | Σ | 2152 | 1987 | 0.923 | 6 | 6 |
MgH | magnesium monohydride | 1 | Σ | 1545 | 1432 | 0.927 | 7 | 7 |
BH | Boron monohydride | 1 | Σ | 2488 | 2269 | 0.912 | 8 | 8 |
AlH | aluminum monohydride | 1 | Σ | 1755 | 1625 | 0.926 | 9 | 9 |
CH | Methylidyne | 1 | Σ | 2985 | 2733 | 0.915 | 10 | 10 |
1 | Σ | 3293 | 10 | 11 | ||||
C2 | Carbon diatomic | 1 | Σg | 1893 | 1827 | 0.965 | 11 | 12 |
SiH | Silylidyne | 1 | Σ | 2137 | 1971 | 0.922 | 12 | 13 |
Si2 | Silicon diatomic | 1 | Σg | 553 | 507 | 0.917 | 13 | 14 |
NH | Imidogen | 1 | Σ | 3420 | 3126 | 0.914 | 14 | 15 |
CN | Cyano radical | 1 | Σ | 2857 | 2042 | 0.715 | 15 | 16 |
N2 | Nitrogen diatomic | 1 | Σg | 2173 | 2330 | 1.072 | 16 | 17 |
SiN | Silicon nitride | 1 | Σ | 1478 | 1138 | 0.770 | 17 | 18 |
PH | phosphorus monohydride | 1 | Σ | 2474 | 2276 | 0.920 | 18 | 19 |
1 | Σ | 2497 | 2319 | 0.929 | 18 | 20 | ||
CP | Carbon monophosphide | 1 | Σ | 1210 | 1226 | 1.013 | 19 | 21 |
PN | Phosphorus mononitride | 1 | Σ | 1159 | 1323 | 1.142 | 20 | 22 |
P2 | Phosphorus diatomic | 1 | Σg | 714 | 775 | 1.086 | 21 | 23 |
OH | Hydroxyl radical | 1 | Σ | 3823 | 3570 | 0.934 | 22 | 24 |
LiO | lithium oxide | 1 | Σ | 822 | 799 | 0.972 | 23 | 25 |
BeO | beryllium oxide | 1 | Σ | 1379 | 1435 | 1.040 | 24 | 26 |
BO | boron monoxide | 1 | Σ | 1903 | 1862 | 0.978 | 25 | 27 |
CO | Carbon monoxide | 1 | Σ | 2107 | 2143 | 1.017 | 26 | 28 |
NaO | sodium monoxide | 1 | Σ | 494 | 27 | 29 | ||
MgO | magnesium oxide | 1 | Σ | 997 | 775 | 0.778 | 28 | 30 |
SiO | Silicon monoxide | 1 | Σ | 1159 | 1230 | 1.061 | 29 | 31 |
HS | Mercapto radical | 1 | Σ | 2812 | 2599 | 0.924 | 30 | 32 |
BeS | beryllium sulfide | 1 | Σ | 1020 | 986 | 0.967 | 31 | 33 |
BS | boron sulfide | 1 | Σ | 1223 | 1167 | 0.954 | 32 | 34 |
CS | carbon monosulfide | 1 | Σ | 1316 | 1272 | 0.967 | 33 | 35 |
SO | Sulfur monoxide | 1 | Σ | 1097 | 1138 | 1.038 | 34 | 36 |
1 | Σ | 960 | 1054 | 1.098 | 34 | 37 | ||
MgS | magnesium sulfide | 1 | Σ | 556 | 523 | 0.941 | 35 | 38 |
AlS | Aluminum sulfide | 1 | Σ | 703 | 610 | 0.868 | 36 | 39 |
SiS | silicon monosulfide | 1 | Σ | 753 | 744 | 0.989 | 37 | 40 |
S2 | Sulfur diatomic | 1 | Σg | 695 | 720 | 1.036 | 38 | 41 |
HF | Hydrogen fluoride | 1 | Σ | 4119 | 3961 | 0.962 | 39 | 42 |
LiF | lithium fluoride | 1 | Σ | 864 | 896 | 1.036 | 40 | 43 |
BeF | Beryllium monofluoride | 1 | Σ | 1207 | 41 | 44 | ||
CF | Fluoromethylidyne | 1 | Σ | 1278 | 1286 | 1.007 | 42 | 45 |
NF | nitrogen fluoride | 1 | Σ | 1135 | 1123 | 0.989 | 43 | 46 |
F2 | Fluorine diatomic | 1 | Σg | 963 | 894 | 0.928 | 44 | 47 |
NaF | sodium fluoride | 1 | Σ | 511 | 529 | 1.035 | 45 | 48 |
MgF | Magnesium monofluoride | 1 | Σ | 682 | 46 | 49 | ||
AlF | Aluminum monofluoride | 1 | Σ | 765 | 793 | 1.037 | 47 | 50 |
SiF | silicon monofluoride | 1 | Σ | 816 | 848 | 1.038 | 48 | 51 |
PF | phosphorus monofluoride | 1 | Σ | 811 | 838 | 1.033 | 49 | 52 |
SF | Monosulfur monofluoride | 1 | Σ | 817 | 829 | 1.015 | 50 | 53 |
HCl | Hydrogen chloride | 1 | Σ | 3112 | 2886 | 0.927 | 51 | 54 |
LiCl | lithium chloride | 1 | Σ | 629 | 634 | 1.009 | 52 | 55 |
BeCl | beryllium monochloride | 1 | Σ | 881 | 847 | 0.961 | 53 | 56 |
BCl | boron monochloride | 1 | Σ | 888 | 829 | 0.934 | 54 | 57 |
CCl | carbon monochloride | 1 | Σ | 906 | 866 | 0.956 | 55 | 58 |
ClO | Monochlorine monoxide | 1 | Σ | 845 | 843 | 0.997 | 56 | 59 |
ClF | Chlorine monofluoride | 1 | Σ | 779 | 773 | 0.993 | 57 | 60 |
NaCl | Sodium Chloride | 1 | Σ | 363 | 361 | 0.996 | 58 | 61 |
MgCl | magnesium monochloride | 1 | Σ | 465 | 59 | 62 | ||
AlCl | Aluminum monochloride | 1 | Σ | 491 | 478 | 0.973 | 60 | 63 |
SiCl | Clorosilylidyne | 1 | Σ | 539 | 531 | 0.986 | 61 | 64 |
PCl | phosphorus chloride | 1 | Σ | 546 | 547 | 1.002 | 62 | 65 |
SCl | sulfur monochloride | 1 | Σ | 570 | 577 | 1.013 | 63 | 66 |
Cl2 | Chlorine diatomic | 1 | Σg | 542 | 554 | 1.023 | 64 | 67 |
BeH2 | beryllium dihydride | 2 | Σu | 2318 | 2159 | 0.932 | 65 | 68 |
3 | Πu | 731 | 698 | 0.955 | 65 | 69 | ||
MgH2 | magnesium dihydride | 2 | Σu | 1658 | 1572 | 0.948 | 66 | 70 |
3 | Πu | 456 | 440 | 0.964 | 66 | 71 | ||
NH2 | Amino radical | 1 | A1 | 3481 | 3219 | 0.925 | 67 | 72 |
2 | A1 | 1553 | 1497 | 0.964 | 67 | 73 | ||
3 | B2 | 3603 | 3301 | 0.916 | 67 | 74 | ||
HCN | Hydrogen cyanide | 1 | Σ | 3514 | 3312 | 0.942 | 68 | 75 |
2 | Σ | 2030 | 2089 | 1.029 | 68 | 76 | ||
3 | Π | 695 | 712 | 1.025 | 68 | 77 | ||
HCP | HCP | 1 | Σ | 3416 | 3217 | 0.942 | 69 | 78 |
2 | Σ | 1247 | 1278 | 1.025 | 69 | 79 | ||
3 | Π | 672 | 674 | 1.004 | 69 | 80 | ||
H2O | Water | 1 | A1 | 3866 | 3657 | 0.946 | 70 | 81 |
2 | A1 | 1623 | 1595 | 0.983 | 70 | 82 | ||
3 | B2 | 4013 | 3756 | 0.936 | 70 | 83 | ||
HBO | Boron hydride oxide | 1 | Σ | 2976 | 2850 | 0.958 | 71 | 84 |
2 | Σ | 1803 | 1826 | 1.012 | 71 | 85 | ||
3 | Π | 770 | 756 | 0.983 | 71 | 86 | ||
HO2 | Hydroperoxy radical | 1 | A' | 3700 | 3436 | 0.929 | 72 | 87 |
2 | A' | 1446 | 1392 | 0.962 | 72 | 88 | ||
3 | A' | 1219 | 1098 | 0.900 | 72 | 89 | ||
CO2 | Carbon dioxide | 1 | Σg | 1319 | 1333 | 1.011 | 73 | 90 |
2 | Σu | 2413 | 2349 | 0.973 | 73 | 91 | ||
3 | Πu | 636 | 667 | 1.049 | 73 | 92 | ||
N2O | Nitrous oxide | 1 | Σ | 2218 | 2224 | 1.003 | 74 | 93 |
2 | Σ | 1280 | 1285 | 1.004 | 74 | 94 | ||
3 | Π | 551 | 589 | 1.070 | 74 | 95 | ||
NaOH | sodium hydroxide | 1 | Σ | 4003 | 3637 | 0.909 | 75 | 96 |
2 | Σ | 545 | 540 | 0.992 | 75 | 97 | ||
3 | Π | 317 | 300 | 0.945 | 75 | 98 | ||
SiO2 | silicon dioxide | 2 | Σu | 1412 | 1416 | 1.003 | 76 | 99 |
3 | Πu | 215 | 273 | 1.268 | 76 | 100 | ||
H2S | Hydrogen sulfide | 1 | A1 | 2834 | 2615 | 0.923 | 77 | 101 |
2 | A1 | 1266 | 1183 | 0.934 | 77 | 102 | ||
3 | B2 | 2860 | 2626 | 0.918 | 77 | 103 | ||
HBS | hydrogen boron sulfide | 1 | Σ | 2915 | 2736 | 0.938 | 78 | 104 |
2 | Σ | 1217 | 1172 | 0.963 | 78 | 105 | ||
OCS | Carbonyl sulfide | 1 | Σ | 2082 | 2062 | 0.991 | 79 | 106 |
2 | Σ | 899 | 859 | 0.956 | 79 | 107 | ||
3 | Π | 483 | 520 | 1.077 | 79 | 108 | ||
SO2 | Sulfur dioxide | 1 | A1 | 1060 | 1151 | 1.086 | 80 | 109 |
2 | A1 | 479 | 518 | 1.081 | 80 | 110 | ||
3 | B2 | 1272 | 1362 | 1.071 | 80 | 111 | ||
CS2 | Carbon disulfide | 1 | Σg | 683 | 658 | 0.963 | 81 | 112 |
2 | Σu | 1630 | 1535 | 0.942 | 81 | 113 | ||
3 | Πu | 381 | 397 | 1.041 | 81 | 114 | ||
HOCl | hypochlorous acid | 1 | A' | 3805 | 3609 | 0.948 | 82 | 115 |
2 | A' | 1257 | 1239 | 0.985 | 82 | 116 | ||
3 | A' | 749 | 724 | 0.967 | 82 | 117 | ||
ClCN | chlorocyanogen | 1 | Σ | 2141 | 2216 | 1.035 | 83 | 118 |
2 | Σ | 753 | 744 | 0.988 | 83 | 119 | ||
3 | Π | 326 | 378 | 1.158 | 83 | 120 | ||
AlH3 | aluminum trihydride | 1 | A1' | 2009 | 1900 | 0.946 | 84 | 121 |
2 | A2" | 741 | 698 | 0.941 | 84 | 122 | ||
3 | E' | 2016 | 1883 | 0.934 | 84 | 123 | ||
4 | E' | 829 | 783 | 0.945 | 84 | 124 | ||
C2H2 | Acetylene | 1 | Σg | 3575 | 3374 | 0.944 | 85 | 125 |
2 | Σg | 1985 | 1974 | 0.994 | 85 | 126 | ||
3 | Σu | 3489 | 3289 | 0.943 | 85 | 127 | ||
4 | Πg | 459 | 612 | 1.333 | 85 | 128 | ||
5 | Πu | 742 | 730 | 0.983 | 85 | 129 | ||
SiH3 | Silyl radical | 1 | A1 | 2319 | 2136 | 0.921 | 86 | 130 |
2 | A1 | 824 | 728 | 0.884 | 86 | 131 | ||
3 | E | 2354 | 2185 | 0.928 | 86 | 132 | ||
4 | E | 986 | 922 | 0.935 | 86 | 133 | ||
NH3 | Ammonia | 1 | A1 | 3564 | 3337 | 0.936 | 87 | 134 |
2 | A1 | 1048 | 950 | 0.906 | 87 | 135 | ||
3 | E | 3734 | 3444 | 0.922 | 87 | 136 | ||
4 | E | 1705 | 1627 | 0.954 | 87 | 137 | ||
C2N2 | Cyanogen | 1 | Σg | 2244 | 2330 | 1.038 | 88 | 138 |
2 | Σg | 863 | 846 | 0.980 | 88 | 139 | ||
3 | Σu | 2053 | 2158 | 1.051 | 88 | 140 | ||
4 | Πg | 459 | 503 | 1.095 | 88 | 141 | ||
5 | Πu | 226 | 234 | 1.038 | 88 | 142 | ||
PH3 | Phosphine | 1 | A1 | 2527 | 2323 | 0.919 | 89 | 143 |
2 | A1 | 1074 | 992 | 0.924 | 89 | 144 | ||
3 | E | 2543 | 2328 | 0.915 | 89 | 145 | ||
4 | E | 1181 | 1118 | 0.947 | 89 | 146 | ||
P4 | Phosphorus tetramer | 1 | A1 | 626 | 601 | 0.960 | 90 | 147 |
2 | E | 362 | 361 | 0.996 | 90 | 148 | ||
3 | T2 | 471 | 467 | 0.991 | 90 | 149 | ||
H2CO | Formaldehyde | 1 | A1 | 3040 | 2782 | 0.915 | 91 | 150 |
2 | A1 | 1760 | 1746 | 0.992 | 91 | 151 | ||
3 | A1 | 1570 | 1500 | 0.956 | 91 | 152 | ||
4 | B1 | 1211 | 1167 | 0.964 | 91 | 153 | ||
5 | B2 | 3123 | 2843 | 0.910 | 91 | 154 | ||
6 | B2 | 1282 | 1249 | 0.974 | 91 | 155 | ||
H2O2 | Hydrogen peroxide | 1 | A | 3823 | 3599 | 0.941 | 92 | 156 |
2 | A | 1438 | 1402 | 0.975 | 92 | 157 | ||
3 | A | 905 | 877 | 0.969 | 92 | 158 | ||
4 | A | 373 | 371 | 0.995 | 92 | 159 | ||
5 | B | 3825 | 3608 | 0.943 | 92 | 160 | ||
6 | B | 1293 | 1266 | 0.979 | 92 | 161 | ||
B2O2 | Diboron dioxide | 1 | Σg | 2049 | 2060 | 1.006 | 93 | 162 |
2 | Σg | 619 | 585 | 0.945 | 93 | 163 | ||
3 | Σu | 1871 | 1898 | 1.014 | 93 | 164 | ||
4 | Πg | 498 | 410 | 0.824 | 93 | 165 | ||
5 | Πu | 215 | 213 | 0.991 | 93 | 166 | ||
H2S2 | Disulfane | 1 | A | 2797 | 2556 | 0.914 | 94 | 167 |
2 | A | 947 | 882 | 0.931 | 94 | 168 | ||
3 | A | 535 | 515 | 0.961 | 94 | 169 | ||
4 | A | 444 | 417 | 0.941 | 94 | 170 | ||
5 | B | 2799 | 2559 | 0.914 | 94 | 171 | ||
6 | B | 940 | 878 | 0.934 | 94 | 172 | ||
SO3 | Sulfur trioxide | 1 | A1' | 1006 | 1065 | 1.058 | 95 | 173 |
2 | A2" | 451 | 498 | 1.104 | 95 | 174 | ||
3 | E' | 1366 | 1391 | 1.018 | 95 | 175 | ||
4 | E' | 489 | 530 | 1.084 | 95 | 176 | ||
CF3 | Trifluoromethyl radical | 1 | A1 | 1095 | 1089 | 0.994 | 96 | 177 |
2 | A1 | 693 | 701 | 1.011 | 96 | 178 | ||
3 | E | 1260 | 1260 | 1.000 | 96 | 179 | ||
4 | E | 497 | 509 | 1.023 | 96 | 180 | ||
AlF3 | Aluminum trifluoride | 1 | A1' | 681 | 690 | 1.014 | 97 | 181 |
2 | A2" | 298 | 297 | 0.997 | 97 | 182 | ||
3 | E' | 946 | 935 | 0.988 | 97 | 183 | ||
4 | E' | 243 | 263 | 1.082 | 97 | 184 | ||
ClF3 | Chlorine trifluoride | 1 | A1 | 756 | 752 | 0.995 | 98 | 185 |
2 | A1 | 512 | 529 | 1.033 | 98 | 186 | ||
3 | A1 | 298 | 328 | 1.099 | 98 | 187 | ||
4 | B1 | 310 | 328 | 1.056 | 98 | 188 | ||
5 | B2 | 728 | 702 | 0.964 | 98 | 189 | ||
6 | B2 | 404 | 442 | 1.095 | 98 | 190 | ||
BCl3 | Borane, trichloro- | 1 | A1' | 495 | 471 | 0.952 | 99 | 191 |
2 | A2" | 475 | 460 | 0.968 | 99 | 192 | ||
3 | E' | 1000 | 956 | 0.956 | 99 | 193 | ||
4 | E' | 271 | 243 | 0.897 | 99 | 194 | ||
PCl3 | Phosphorus trichloride | 1 | A1 | 522 | 504 | 0.966 | 100 | 195 |
2 | A1 | 268 | 252 | 0.940 | 100 | 196 | ||
3 | E | 518 | 482 | 0.931 | 100 | 197 | ||
4 | E | 186 | 198 | 1.066 | 100 | 198 | ||
CH4 | Methane | 1 | A1 | 3120 | 2917 | 0.935 | 101 | 199 |
2 | E | 1600 | 1534 | 0.959 | 101 | 200 | ||
3 | T2 | 3265 | 3019 | 0.925 | 101 | 201 | ||
4 | T2 | 1395 | 1306 | 0.936 | 101 | 202 | ||
SiH4 | Silane | 1 | A1 | 2343 | 2187 | 0.933 | 102 | 203 |
2 | E | 1019 | 975 | 0.957 | 102 | 204 | ||
3 | T2 | 2352 | 2191 | 0.932 | 102 | 205 | ||
4 | T2 | 975 | 914 | 0.937 | 102 | 206 | ||
CH2CO | Ketene | 1 | A1 | 3284 | 3070 | 0.935 | 103 | 207 |
2 | A1 | 2204 | 2152 | 0.976 | 103 | 208 | ||
3 | A1 | 1446 | 1388 | 0.960 | 103 | 209 | ||
4 | A1 | 1162 | 1118 | 0.962 | 103 | 210 | ||
5 | B1 | 564 | 588 | 1.042 | 103 | 211 | ||
6 | B1 | 469 | 528 | 1.126 | 103 | 212 | ||
7 | B2 | 3398 | 3166 | 0.932 | 103 | 213 | ||
8 | B2 | 1010 | 977 | 0.967 | 103 | 214 | ||
9 | B2 | 432 | 433 | 1.003 | 103 | 215 | ||
HCOOH | Formic acid | 1 | A' | 3787 | 3570 | 0.943 | 104 | 216 |
2 | A' | 3191 | 2943 | 0.922 | 104 | 217 | ||
3 | A' | 1801 | 1770 | 0.983 | 104 | 218 | ||
4 | A' | 1430 | 1387 | 0.970 | 104 | 219 | ||
5 | A' | 1302 | 1229 | 0.944 | 104 | 220 | ||
6 | A' | 1136 | 1105 | 0.973 | 104 | 221 | ||
7 | A' | 620 | 625 | 1.008 | 104 | 222 | ||
8 | A" | 1060 | 1033 | 0.974 | 104 | 223 | ||
9 | A" | 682 | 638 | 0.936 | 104 | 224 | ||
C3O2 | Carbon suboxide | 1 | Σg | 2224 | 2196 | 0.988 | 105 | 225 |
2 | Σg | 773 | 786 | 1.017 | 105 | 226 | ||
3 | Σu | 2457 | 2258 | 0.919 | 105 | 227 | ||
4 | Σu | 1599 | 1573 | 0.984 | 105 | 228 | ||
5 | Πg | 567 | 573 | 1.010 | 105 | 229 | ||
6 | Πu | 583 | 550 | 0.944 | 105 | 230 | ||
7 | Πu | 135 | 61 | 0.451 | 105 | 231 | ||
CH3F | Methyl fluoride | 1 | A1 | 3144 | 2930 | 0.932 | 106 | 232 |
2 | A1 | 1525 | 1464 | 0.960 | 106 | 233 | ||
3 | A1 | 1059 | 1049 | 0.991 | 106 | 234 | ||
4 | E | 3260 | 3006 | 0.922 | 106 | 235 | ||
5 | E | 1551 | 1467 | 0.946 | 106 | 236 | ||
6 | E | 1214 | 1182 | 0.974 | 106 | 237 | ||
CH2F2 | Methane, difluoro- | 1 | A1 | 3184 | 2948 | 0.926 | 107 | 238 |
2 | A1 | 1584 | 1508 | 0.952 | 107 | 239 | ||
3 | A1 | 1116 | 1111 | 0.996 | 107 | 240 | ||
4 | A1 | 514 | 529 | 1.027 | 107 | 241 | ||
5 | A2 | 1295 | 1262 | 0.975 | 107 | 242 | ||
6 | B1 | 3281 | 3014 | 0.918 | 107 | 243 | ||
7 | B1 | 1197 | 1178 | 0.984 | 107 | 244 | ||
8 | B2 | 1487 | 1435 | 0.965 | 107 | 245 | ||
9 | B2 | 1101 | 1090 | 0.990 | 107 | 246 | ||
CF4 | Carbon tetrafluoride | 1 | A1 | 898 | 909 | 1.012 | 108 | 247 |
2 | E | 425 | 435 | 1.024 | 108 | 248 | ||
3 | T2 | 1284 | 1283 | 0.999 | 108 | 249 | ||
4 | T2 | 617 | 631 | 1.023 | 108 | 250 | ||
SiF4 | Silicon tetrafluoride | 1 | A1 | 771 | 800 | 1.038 | 109 | 251 |
2 | E | 252 | 268 | 1.062 | 109 | 252 | ||
3 | T2 | 1007 | 1032 | 1.025 | 109 | 253 | ||
4 | T2 | 376 | 389 | 1.034 | 109 | 254 | ||
CH3Cl | Methyl chloride | 1 | A1 | 3161 | 2966 | 0.938 | 110 | 255 |
2 | A1 | 1458 | 1355 | 0.929 | 110 | 256 | ||
3 | A1 | 780 | 732 | 0.938 | 110 | 257 | ||
4 | E | 3278 | 3042 | 0.928 | 110 | 258 | ||
5 | E | 1525 | 1455 | 0.954 | 110 | 259 | ||
6 | E | 1074 | 1015 | 0.945 | 110 | 260 | ||
SiH3Cl | chlorosilane | 1 | A1 | 2362 | 2201 | 0.932 | 111 | 261 |
2 | A1 | 1011 | 949 | 0.939 | 111 | 262 | ||
3 | A1 | 564 | 551 | 0.977 | 111 | 263 | ||
4 | E | 2375 | 2195 | 0.924 | 111 | 264 | ||
5 | E | 1001 | 954 | 0.953 | 111 | 265 | ||
6 | E | 689 | 664 | 0.964 | 111 | 266 | ||
CH2Cl2 | Methylene chloride | 1 | A1 | 3204 | 2999 | 0.936 | 112 | 267 |
2 | A1 | 1511 | 1467 | 0.971 | 112 | 268 | ||
3 | A1 | 749 | 717 | 0.957 | 112 | 269 | ||
4 | A1 | 298 | 282 | 0.947 | 112 | 270 | ||
5 | A2 | 1222 | 1153 | 0.943 | 112 | 271 | ||
6 | B1 | 3289 | 3040 | 0.924 | 112 | 272 | ||
7 | B1 | 947 | 898 | 0.948 | 112 | 273 | ||
8 | B2 | 1368 | 1268 | 0.927 | 112 | 274 | ||
9 | B2 | 812 | 758 | 0.934 | 112 | 275 | ||
ClFO3 | Perchloryl fluoride | 1 | A1 | 1084 | 1061 | 0.978 | 113 | 276 |
2 | A1 | 646 | 715 | 1.107 | 113 | 277 | ||
3 | A1 | 483 | 549 | 1.136 | 113 | 278 | ||
4 | E | 1334 | 1315 | 0.986 | 113 | 279 | ||
5 | E | 536 | 589 | 1.098 | 113 | 280 | ||
6 | E | 346 | 405 | 1.170 | 113 | 281 | ||
CHCl3 | Chloroform | 1 | A1 | 3246 | 3034 | 0.935 | 114 | 282 |
2 | A1 | 706 | 680 | 0.964 | 114 | 283 | ||
3 | A1 | 387 | 366 | 0.945 | 114 | 284 | ||
4 | E | 1297 | 1220 | 0.940 | 114 | 285 | ||
5 | E | 819 | 774 | 0.945 | 114 | 286 | ||
6 | E | 275 | 260 | 0.944 | 114 | 287 | ||
CF2Cl2 | difluorodichloromethane | 1 | A1 | 1110 | 1101 | 0.992 | 115 | 288 |
2 | A1 | 669 | 667 | 0.997 | 115 | 289 | ||
3 | A1 | 465 | 458 | 0.986 | 115 | 290 | ||
4 | A1 | 275 | 262 | 0.952 | 115 | 291 | ||
5 | A2 | 327 | 322 | 0.985 | 115 | 292 | ||
6 | B1 | 963 | 902 | 0.936 | 115 | 293 | ||
7 | B1 | 448 | 437 | 0.976 | 115 | 294 | ||
8 | B2 | 1147 | 1159 | 1.010 | 115 | 295 | ||
9 | B2 | 441 | 446 | 1.011 | 115 | 296 | ||
CCl4 | Carbon tetrachloride | 1 | A1 | 478 | 459 | 0.961 | 116 | 297 |
2 | E | 225 | 217 | 0.963 | 116 | 298 | ||
3 | T2 | 826 | 776 | 0.939 | 116 | 299 | ||
4 | T2 | 333 | 314 | 0.943 | 116 | 300 | ||
Cl3PO | Phosphoryl chloride | 1 | A1 | 1307 | 1322 | 1.012 | 117 | 301 |
2 | A1 | 488 | 481 | 0.985 | 117 | 302 | ||
3 | A1 | 272 | 266 | 0.978 | 117 | 303 | ||
4 | E | 606 | 590 | 0.973 | 117 | 304 | ||
5 | E | 333 | 333 | 0.999 | 117 | 305 | ||
6 | E | 189 | 187 | 0.987 | 117 | 306 | ||
SiCl4 | Silane, tetrachloro- | 1 | A1 | 433 | 424 | 0.979 | 118 | 307 |
2 | E | 149 | 150 | 1.006 | 118 | 308 | ||
3 | T2 | 641 | 621 | 0.969 | 118 | 309 | ||
4 | T2 | 226 | 221 | 0.979 | 118 | 310 | ||
C2H4 | Ethylene | 1 | Ag | 3247 | 3026 | 0.932 | 119 | 311 |
2 | Ag | 1710 | 1623 | 0.949 | 119 | 312 | ||
3 | Ag | 1404 | 1342 | 0.956 | 119 | 313 | ||
4 | Au | 1071 | 1023 | 0.955 | 119 | 314 | ||
5 | B1u | 3230 | 2989 | 0.925 | 119 | 315 | ||
6 | B1u | 1514 | 1444 | 0.953 | 119 | 316 | ||
7 | B2g | 913 | 940 | 1.029 | 119 | 317 | ||
8 | B2u | 3349 | 3105 | 0.927 | 119 | 318 | ||
9 | B2u | 846 | 826 | 0.976 | 119 | 319 | ||
10 | B3g | 3324 | 3086 | 0.928 | 119 | 320 | ||
11 | B3g | 1262 | 1217 | 0.964 | 119 | 321 | ||
12 | B3u | 984 | 949 | 0.965 | 119 | 322 | ||
CH3CN | Acetonitrile | 1 | A1 | 3143 | 2954 | 0.940 | 120 | 323 |
2 | A1 | 2218 | 2267 | 1.022 | 120 | 324 | ||
3 | A1 | 1455 | 1385 | 0.952 | 120 | 325 | ||
4 | A1 | 939 | 920 | 0.980 | 120 | 326 | ||
5 | E | 3245 | 3009 | 0.927 | 120 | 327 | ||
6 | E | 1522 | 1448 | 0.951 | 120 | 328 | ||
7 | E | 1082 | 1041 | 0.962 | 120 | 329 | ||
8 | E | 334 | 362 | 1.084 | 120 | 330 | ||
CH3OH | Methyl alcohol | 1 | A' | 3899 | 3681 | 0.944 | 121 | 331 |
2 | A' | 3249 | 3000 | 0.923 | 121 | 332 | ||
3 | A' | 3102 | 2844 | 0.917 | 121 | 333 | ||
4 | A' | 1562 | 1477 | 0.946 | 121 | 334 | ||
5 | A' | 1523 | 1455 | 0.956 | 121 | 335 | ||
6 | A' | 1377 | 1345 | 0.977 | 121 | 336 | ||
7 | A' | 1090 | 1060 | 0.973 | 121 | 337 | ||
8 | A' | 1065 | 1033 | 0.970 | 121 | 338 | ||
9 | A" | 3180 | 2960 | 0.931 | 121 | 339 | ||
10 | A" | 1549 | 1477 | 0.953 | 121 | 340 | ||
11 | A" | 1199 | 1165 | 0.972 | 121 | 341 | ||
12 | A" | 323 | 200 | 0.619 | 121 | 342 | ||
CH3SH | Methanethiol | 1 | A' | 3253 | 3000 | 0.922 | 122 | 343 |
2 | A' | 3144 | 2931 | 0.932 | 122 | 344 | ||
3 | A' | 2829 | 2597 | 0.918 | 122 | 345 | ||
4 | A' | 1528 | 1475 | 0.966 | 122 | 346 | ||
5 | A' | 1434 | 1335 | 0.931 | 122 | 347 | ||
6 | A' | 1143 | 1074 | 0.940 | 122 | 348 | ||
7 | A' | 835 | 803 | 0.962 | 122 | 349 | ||
8 | A' | 756 | 708 | 0.937 | 122 | 350 | ||
9 | A" | 3248 | 3000 | 0.924 | 122 | 351 | ||
10 | A" | 1505 | 1430 | 0.950 | 122 | 352 | ||
11 | A" | 1019 | 976 | 0.958 | 122 | 353 | ||
CF3CN | Acetonitrile, trifluoro- | 1 | A1 | 2196 | 2275 | 1.036 | 123 | 354 |
2 | A1 | 1258 | 1227 | 0.975 | 123 | 355 | ||
3 | A1 | 804 | 802 | 0.997 | 123 | 356 | ||
4 | A1 | 520 | 522 | 1.003 | 123 | 357 | ||
5 | E | 1212 | 1214 | 1.001 | 123 | 358 | ||
6 | E | 614 | 618 | 1.006 | 123 | 359 | ||
7 | E | 452 | 463 | 1.025 | 123 | 360 | ||
8 | E | 178 | 196 | 1.102 | 123 | 361 | ||
PF5 | Phosphorus pentafluoride | 1 | A1' | 778 | 816 | 1.049 | 124 | 362 |
2 | A1' | 644 | 648 | 1.006 | 124 | 363 | ||
3 | A2" | 959 | 947 | 0.988 | 124 | 364 | ||
4 | A2" | 540 | 575 | 1.065 | 124 | 365 | ||
5 | E' | 1005 | 1024 | 1.019 | 124 | 366 | ||
6 | E' | 503 | 533 | 1.060 | 124 | 367 | ||
7 | E' | 163 | 174 | 1.068 | 124 | 368 | ||
8 | E" | 477 | 520 | 1.089 | 124 | 369 | ||
PCl5 | Phosphorus pentachloride | 1 | A1' | 400 | 394 | 0.984 | 125 | 370 |
2 | A1' | 290 | 264 | 0.910 | 125 | 371 | ||
3 | A2" | 464 | 465 | 1.002 | 125 | 372 | ||
4 | A2" | 311 | 299 | 0.961 | 125 | 373 | ||
5 | E' | 588 | 592 | 1.007 | 125 | 374 | ||
6 | E' | 276 | 273 | 0.991 | 125 | 375 | ||
7 | E' | 95 | 100 | 1.055 | 125 | 376 | ||
8 | E" | 267 | 282 | 1.058 | 125 | 377 | ||
CH2CCH2 | allene | 1 | A1 | 3228 | 3015 | 0.934 | 126 | 378 |
2 | A1 | 1521 | 1443 | 0.949 | 126 | 379 | ||
3 | A1 | 1105 | 1073 | 0.971 | 126 | 380 | ||
4 | B1 | 902 | 865 | 0.959 | 126 | 381 | ||
5 | B2 | 3228 | 3007 | 0.931 | 126 | 382 | ||
6 | B2 | 2051 | 1957 | 0.954 | 126 | 383 | ||
7 | B2 | 1471 | 1398 | 0.950 | 126 | 384 | ||
8 | E | 3323 | 3086 | 0.929 | 126 | 385 | ||
9 | E | 1038 | 999 | 0.963 | 126 | 386 | ||
10 | E | 864 | 841 | 0.974 | 126 | 387 | ||
11 | E | 349 | 355 | 1.017 | 126 | 388 | ||
C3H4 | cyclopropene | 1 | A1 | 3388 | 3158 | 0.932 | 127 | 389 |
2 | A1 | 3154 | 2909 | 0.922 | 127 | 390 | ||
3 | A1 | 1714 | 1653 | 0.964 | 127 | 391 | ||
4 | A1 | 1572 | 1483 | 0.944 | 127 | 392 | ||
5 | A1 | 1191 | 1110 | 0.932 | 127 | 393 | ||
6 | A1 | 955 | 905 | 0.948 | 127 | 394 | ||
7 | A2 | 1036 | 996 | 0.961 | 127 | 395 | ||
8 | A2 | 815 | 820 | 1.006 | 127 | 396 | ||
9 | B1 | 3236 | 2995 | 0.926 | 127 | 397 | ||
10 | B1 | 1141 | 1088 | 0.953 | 127 | 398 | ||
11 | B1 | 553 | 569 | 1.029 | 127 | 399 | ||
12 | B2 | 3344 | 3124 | 0.934 | 127 | 400 | ||
13 | B2 | 1107 | 1043 | 0.942 | 127 | 401 | ||
14 | B2 | 1062 | 1011 | 0.952 | 127 | 402 | ||
15 | B2 | 806 | 769 | 0.954 | 127 | 403 | ||
CH2N4 | 1H-Tetrazole | 1 | A' | 3711 | 3447 | 0.929 | 128 | 404 |
2 | A' | 3375 | 3102 | 0.919 | 128 | 405 | ||
3 | A' | 1500 | 1441 | 0.961 | 128 | 406 | ||
4 | A' | 1492 | 1384 | 0.928 | 128 | 407 | ||
5 | A' | 1273 | 1259 | 0.989 | 128 | 408 | ||
6 | A' | 1196 | 1159 | 0.969 | 128 | 409 | ||
7 | A' | 1149 | 1084 | 0.944 | 128 | 410 | ||
8 | A' | 1112 | 1015 | 0.913 | 128 | 411 | ||
9 | A' | 1085 | 1002 | 0.924 | 128 | 412 | ||
10 | A' | 1005 | 969 | 0.964 | 128 | 413 | ||
11 | A' | 962 | 925 | 0.961 | 128 | 414 | ||
12 | A" | 803 | 906 | 1.128 | 128 | 415 | ||
13 | A" | 715 | 663 | 0.927 | 128 | 416 | ||
14 | A" | 685 | 658 | 0.960 | 128 | 417 | ||
15 | A" | 570 | 578 | 1.014 | 128 | 418 | ||
CH3CHO | Acetaldehyde | 1 | A' | 3253 | 3014 | 0.926 | 129 | 419 |
2 | A' | 3117 | 2923 | 0.938 | 129 | 420 | ||
3 | A' | 3018 | 2716 | 0.900 | 129 | 421 | ||
4 | A' | 1770 | 1743 | 0.985 | 129 | 422 | ||
5 | A' | 1509 | 1433 | 0.950 | 129 | 423 | ||
6 | A' | 1453 | 1395 | 0.960 | 129 | 424 | ||
7 | A' | 1425 | 1352 | 0.949 | 129 | 425 | ||
8 | A' | 1162 | 1114 | 0.959 | 129 | 426 | ||
9 | A' | 920 | 867 | 0.943 | 129 | 427 | ||
10 | A' | 512 | 509 | 0.994 | 129 | 428 | ||
11 | A" | 3204 | 2964 | 0.925 | 129 | 429 | ||
12 | A" | 1515 | 1431 | 0.944 | 129 | 430 | ||
13 | A" | 1155 | 1102 | 0.954 | 129 | 431 | ||
14 | A" | 792 | 764 | 0.965 | 129 | 432 | ||
15 | A" | 140 | 150 | 1.074 | 129 | 433 | ||
SF6 | Sulfur Hexafluoride | 1 | A1g | 735 | 774 | 1.052 | 130 | 434 |
2 | Eg | 631 | 642 | 1.017 | 130 | 435 | ||
3 | T1u | 943 | 948 | 1.005 | 130 | 436 | ||
4 | T1u | 575 | 616 | 1.071 | 130 | 437 | ||
5 | T2g | 484 | 525 | 1.086 | 130 | 438 | ||
6 | T2u | 320 | 347 | 1.083 | 130 | 439 | ||
C2H6 | Ethane | 1 | A1g | 3123 | 2954 | 0.946 | 131 | 440 |
2 | A1g | 1477 | 1388 | 0.940 | 131 | 441 | ||
3 | A1g | 1044 | 995 | 0.953 | 131 | 442 | ||
4 | A1u | 333 | 289 | 0.868 | 131 | 443 | ||
5 | A2u | 3122 | 2896 | 0.928 | 131 | 444 | ||
6 | A2u | 1449 | 1379 | 0.951 | 131 | 445 | ||
7 | Eg | 3203 | 2969 | 0.927 | 131 | 446 | ||
8 | Eg | 1547 | 1468 | 0.949 | 131 | 447 | ||
9 | Eg | 1259 | 1190 | 0.945 | 131 | 448 | ||
10 | Eu | 3223 | 2985 | 0.926 | 131 | 449 | ||
11 | Eu | 1550 | 1469 | 0.948 | 131 | 450 | ||
12 | Eu | 842 | 822 | 0.977 | 131 | 451 | ||
CH3SiH3 | methyl silane | 1 | A1 | 3123 | 2898 | 0.928 | 132 | 452 |
2 | A1 | 2325 | 2166 | 0.932 | 132 | 453 | ||
3 | A1 | 1352 | 1260 | 0.932 | 132 | 454 | ||
4 | A1 | 992 | 940 | 0.947 | 132 | 455 | ||
5 | A1 | 715 | 700 | 0.978 | 132 | 456 | ||
6 | A2 | 206 | 187 | 0.907 | 132 | 457 | ||
7 | E | 3226 | 2982 | 0.924 | 132 | 458 | ||
8 | E | 2328 | 2169 | 0.932 | 132 | 459 | ||
9 | E | 1501 | 1403 | 0.935 | 132 | 460 | ||
10 | E | 1008 | 980 | 0.972 | 132 | 461 | ||
11 | E | 921 | 868 | 0.942 | 132 | 462 | ||
12 | E | 532 | 540 | 1.016 | 132 | 463 | ||
C3H3NO | Oxazole | 1 | A' | 3384 | 3170 | 0.937 | 133 | 464 |
2 | A' | 3370 | 3144 | 0.933 | 133 | 465 | ||
3 | A' | 3352 | 3141 | 0.937 | 133 | 466 | ||
4 | A' | 1570 | 1537 | 0.979 | 133 | 467 | ||
5 | A' | 1530 | 1504 | 0.983 | 133 | 468 | ||
6 | A' | 1379 | 1324 | 0.960 | 133 | 469 | ||
7 | A' | 1294 | 1252 | 0.968 | 133 | 470 | ||
8 | A' | 1199 | 1139 | 0.950 | 133 | 471 | ||
9 | A' | 1148 | 1086 | 0.946 | 133 | 472 | ||
10 | A' | 1125 | 1078 | 0.958 | 133 | 473 | ||
11 | A' | 1091 | 1046 | 0.959 | 133 | 474 | ||
12 | A' | 915 | 899 | 0.983 | 133 | 475 | ||
13 | A' | 908 | 854 | 0.941 | 133 | 476 | ||
14 | A" | 818 | 907 | 1.109 | 133 | 477 | ||
15 | A" | 804 | 830 | 1.032 | 133 | 478 | ||
16 | A" | 724 | 750 | 1.035 | 133 | 479 | ||
17 | A" | 652 | 647 | 0.992 | 133 | 480 | ||
18 | A" | 602 | 607 | 1.008 | 133 | 481 | ||
CH3CF3 | Ethane, 1,1,1-trifluoro- | 1 | A1 | 3158 | 2974 | 0.942 | 134 | 482 |
2 | A1 | 1482 | 1412 | 0.953 | 134 | 483 | ||
3 | A1 | 1323 | 1278 | 0.966 | 134 | 484 | ||
4 | A1 | 833 | 828 | 0.994 | 134 | 485 | ||
5 | A1 | 598 | 606 | 1.014 | 134 | 486 | ||
6 | A2 | 253 | 225 | 0.889 | 134 | 487 | ||
7 | E | 3271 | 3042 | 0.930 | 134 | 488 | ||
8 | E | 1532 | 1450 | 0.946 | 134 | 489 | ||
9 | E | 1253 | 1230 | 0.982 | 134 | 490 | ||
10 | E | 996 | 964 | 0.968 | 134 | 491 | ||
11 | E | 530 | 540 | 1.018 | 134 | 492 | ||
12 | E | 365 | 365 | 0.999 | 134 | 493 | ||
CH2ClCH2Cl | Ethane, 1,2-dichloro- | 1 | A | 3233 | 3005 | 0.929 | 135 | 494 |
2 | A | 3166 | 2957 | 0.934 | 135 | 495 | ||
3 | A | 1514 | 1433 | 0.946 | 135 | 496 | ||
4 | A | 1403 | 1315 | 0.937 | 135 | 497 | ||
5 | A | 1272 | 1207 | 0.949 | 135 | 498 | ||
6 | A | 1095 | 1027 | 0.938 | 135 | 499 | ||
7 | A | 1005 | 948 | 0.943 | 135 | 500 | ||
8 | A | 708 | 669 | 0.945 | 135 | 501 | ||
9 | A | 269 | 272 | 1.012 | 135 | 502 | ||
10 | A | 123 | 125 | 1.019 | 135 | 503 | ||
11 | B | 3244 | 3005 | 0.926 | 135 | 504 | ||
12 | B | 3160 | 2957 | 0.936 | 135 | 505 | ||
13 | B | 1509 | 1436 | 0.952 | 135 | 506 | ||
14 | B | 1385 | 1292 | 0.933 | 135 | 507 | ||
15 | B | 1204 | 1146 | 0.952 | 135 | 508 | ||
16 | B | 935 | 890 | 0.951 | 135 | 509 | ||
17 | B | 736 | 693 | 0.941 | 135 | 510 | ||
18 | B | 424 | 410 | 0.968 | 135 | 511 | ||
CH3CCl3 | Ethane, 1,1,1-trichloro- | 1 | A1 | 3140 | 2951 | 0.940 | 136 | 512 |
2 | A1 | 1465 | 1386 | 0.946 | 136 | 513 | ||
3 | A1 | 1129 | 1075 | 0.952 | 136 | 514 | ||
4 | A1 | 547 | 526 | 0.961 | 136 | 515 | ||
5 | A1 | 364 | 344 | 0.946 | 136 | 516 | ||
6 | A2 | 332 | 214 | 0.644 | 136 | 517 | ||
7 | E | 3251 | 3014 | 0.927 | 136 | 518 | ||
8 | E | 1519 | 1457 | 0.959 | 136 | 519 | ||
9 | E | 1143 | 1088 | 0.952 | 136 | 520 | ||
10 | E | 769 | 724 | 0.941 | 136 | 521 | ||
11 | E | 361 | 351 | 0.973 | 136 | 522 | ||
12 | E | 251 | 239 | 0.951 | 136 | 523 | ||
CH2CHCH3 | Propene | 1 | A' | 3330 | 3090 | 0.928 | 137 | 524 |
2 | A' | 3236 | 3013 | 0.931 | 137 | 525 | ||
3 | A' | 3226 | 2991 | 0.927 | 137 | 526 | ||
4 | A' | 3210 | 2954 | 0.920 | 137 | 527 | ||
5 | A' | 3110 | 2871 | 0.923 | 137 | 528 | ||
6 | A' | 1727 | 1650 | 0.955 | 137 | 529 | ||
7 | A' | 1542 | 1470 | 0.953 | 137 | 530 | ||
8 | A' | 1492 | 1420 | 0.952 | 137 | 531 | ||
9 | A' | 1450 | 1378 | 0.951 | 137 | 532 | ||
10 | A' | 1348 | 1297 | 0.962 | 137 | 533 | ||
11 | A' | 1220 | 1171 | 0.960 | 137 | 534 | ||
12 | A' | 966 | 963 | 0.997 | 137 | 535 | ||
13 | A' | 953 | 920 | 0.965 | 137 | 536 | ||
14 | A' | 429 | 428 | 0.998 | 137 | 537 | ||
15 | A" | 3191 | 2954 | 0.926 | 137 | 538 | ||
16 | A" | 1520 | 1443 | 0.949 | 137 | 539 | ||
17 | A" | 1089 | 1045 | 0.959 | 137 | 540 | ||
18 | A" | 1029 | 991 | 0.963 | 137 | 541 | ||
19 | A" | 911 | 912 | 1.001 | 137 | 542 | ||
20 | A" | 583 | 578 | 0.991 | 137 | 543 | ||
21 | A" | 195 | 174 | 0.890 | 137 | 544 | ||
C3H4N2 | 1H-Imidazole | 1 | A' | 3724 | 3517 | 0.944 | 138 | 545 |
2 | A' | 3360 | 3143 | 0.935 | 138 | 546 | ||
3 | A' | 3342 | 3123 | 0.935 | 138 | 547 | ||
4 | A' | 3335 | 3110 | 0.932 | 138 | 548 | ||
5 | A' | 1560 | 1448 | 0.928 | 138 | 549 | ||
6 | A' | 1525 | 1404 | 0.921 | 138 | 550 | ||
7 | A' | 1487 | 1328 | 0.893 | 138 | 551 | ||
8 | A' | 1395 | 1265 | 0.907 | 138 | 552 | ||
9 | A' | 1297 | 1188 | 0.916 | 138 | 553 | ||
10 | A' | 1191 | 1098 | 0.922 | 138 | 554 | ||
11 | A' | 1169 | 1062 | 0.908 | 138 | 555 | ||
12 | A' | 1121 | 1013 | 0.903 | 138 | 556 | ||
13 | A' | 1098 | 988 | 0.900 | 138 | 557 | ||
14 | A' | 938 | 923 | 0.984 | 138 | 558 | ||
15 | A' | 899 | 898 | 0.998 | 138 | 559 | ||
16 | A" | 808 | 831 | 1.029 | 138 | 560 | ||
17 | A" | 762 | 758 | 0.995 | 138 | 561 | ||
18 | A" | 687 | 674 | 0.982 | 138 | 562 | ||
19 | A" | 666 | 663 | 0.995 | 138 | 563 | ||
20 | A" | 615 | 621 | 1.009 | 138 | 564 | ||
21 | A" | 475 | 539 | 1.135 | 138 | 565 | ||
C3H3N3 | 1,3,5-Triazine | 1 | A1' | 3279 | 3042 | 0.928 | 139 | 566 |
2 | A1' | 1144 | 1132 | 0.990 | 139 | 567 | ||
3 | A1' | 1014 | 992 | 0.979 | 139 | 568 | ||
4 | A2' | 1423 | 1278 | 0.898 | 139 | 569 | ||
5 | A2' | 1254 | 1068 | 0.852 | 139 | 570 | ||
6 | A2" | 909 | 925 | 1.018 | 139 | 571 | ||
7 | A2" | 753 | 737 | 0.979 | 139 | 572 | ||
8 | E' | 3275 | 3056 | 0.933 | 139 | 573 | ||
9 | E' | 1611 | 1555 | 0.965 | 139 | 574 | ||
10 | E' | 1463 | 1410 | 0.964 | 139 | 575 | ||
11 | E' | 1205 | 1176 | 0.976 | 139 | 576 | ||
12 | E' | 687 | 657 | 0.957 | 139 | 577 | ||
13 | E" | 1015 | 830 | 0.818 | 139 | 578 | ||
14 | E" | 345 | 340 | 0.986 | 139 | 579 | ||
CH3OCH3 | Dimethyl ether | 1 | A1 | 3241 | 2996 | 0.924 | 140 | 580 |
2 | A1 | 3076 | 2817 | 0.916 | 140 | 581 | ||
3 | A1 | 1563 | 1464 | 0.937 | 140 | 582 | ||
4 | A1 | 1527 | 1452 | 0.951 | 140 | 583 | ||
5 | A1 | 1289 | 1244 | 0.965 | 140 | 584 | ||
6 | A1 | 956 | 928 | 0.971 | 140 | 585 | ||
7 | A1 | 418 | 418 | 1.000 | 140 | 586 | ||
8 | A2 | 3148 | 2952 | 0.938 | 140 | 587 | ||
9 | A2 | 1530 | 1464 | 0.957 | 140 | 588 | ||
10 | A2 | 1182 | 1150 | 0.973 | 140 | 589 | ||
11 | A2 | 205 | 203 | 0.992 | 140 | 590 | ||
12 | B1 | 3141 | 2925 | 0.931 | 140 | 591 | ||
13 | B1 | 1541 | 1464 | 0.950 | 140 | 592 | ||
14 | B1 | 1214 | 1179 | 0.971 | 140 | 593 | ||
15 | B1 | 257 | 242 | 0.941 | 140 | 594 | ||
16 | B2 | 3241 | 2996 | 0.924 | 140 | 595 | ||
17 | B2 | 3069 | 2817 | 0.918 | 140 | 596 | ||
18 | B2 | 1549 | 1464 | 0.945 | 140 | 597 | ||
19 | B2 | 1496 | 1452 | 0.970 | 140 | 598 | ||
20 | B2 | 1223 | 1227 | 1.003 | 140 | 599 | ||
21 | B2 | 1140 | 1102 | 0.966 | 140 | 600 | ||
CH3CH2SH | ethanethiol | 1 | A | 3230 | 2980 | 0.923 | 141 | 601 |
2 | A | 3210 | 2967 | 0.924 | 141 | 602 | ||
3 | A | 3201 | 2930 | 0.915 | 141 | 603 | ||
4 | A | 3148 | 2902 | 0.922 | 141 | 604 | ||
5 | A | 3117 | 2875 | 0.922 | 141 | 605 | ||
6 | A | 2817 | 2591 | 0.920 | 141 | 606 | ||
7 | A | 1542 | 1462 | 0.948 | 141 | 607 | ||
8 | A | 1536 | 1452 | 0.945 | 141 | 608 | ||
9 | A | 1518 | 1437 | 0.947 | 141 | 609 | ||
10 | A | 1460 | 1377 | 0.943 | 141 | 610 | ||
11 | A | 1369 | 1269 | 0.927 | 141 | 611 | ||
12 | A | 1315 | 1246 | 0.947 | 141 | 612 | ||
13 | A | 1167 | 1093 | 0.936 | 141 | 613 | ||
14 | A | 1106 | 1051 | 0.950 | 141 | 614 | ||
15 | A | 1028 | 970 | 0.944 | 141 | 615 | ||
16 | A | 908 | 867 | 0.955 | 141 | 616 | ||
17 | A | 771 | 735 | 0.953 | 141 | 617 | ||
18 | A | 704 | 658 | 0.935 | 141 | 618 | ||
19 | A | 342 | 319 | 0.933 | 141 | 619 | ||
20 | A | 283 | 141 | 620 | ||||
21 | A | 254 | 141 | 621 | ||||
C3H6O | 2-Propen-1-ol | 1 | A | 3873 | 3675 | 0.949 | 142 | 622 |
2 | A | 3334 | 3102 | 0.930 | 142 | 623 | ||
3 | A | 3254 | 3022 | 0.929 | 142 | 624 | ||
4 | A | 3231 | 2995 | 0.927 | 142 | 625 | ||
5 | A | 3136 | 2934 | 0.936 | 142 | 626 | ||
6 | A | 3080 | 2866 | 0.930 | 142 | 627 | ||
7 | A | 1728 | 1654 | 0.957 | 142 | 628 | ||
8 | A | 1561 | 1453 | 0.931 | 142 | 629 | ||
9 | A | 1505 | 1414 | 0.939 | 142 | 630 | ||
10 | A | 1443 | 1384 | 0.959 | 142 | 631 | ||
11 | A | 1335 | 1320 | 0.989 | 142 | 632 | ||
12 | A | 1296 | 1293 | 0.997 | 142 | 633 | ||
13 | A | 1240 | 1191 | 0.960 | 142 | 634 | ||
14 | A | 1186 | 1132 | 0.954 | 142 | 635 | ||
15 | A | 1069 | 1110 | 1.038 | 142 | 636 | ||
16 | A | 1027 | 1038 | 1.011 | 142 | 637 | ||
17 | A | 984 | 995 | 1.011 | 142 | 638 | ||
18 | A | 943 | 919 | 0.974 | 142 | 639 | ||
19 | A | 937 | 885 | 0.944 | 142 | 640 | ||
20 | A | 662 | 606 | 0.916 | 142 | 641 | ||
22 | A | 344 | 377 | 1.098 | 142 | 642 | ||
23 | A | 262 | 277 | 1.057 | 142 | 643 | ||
24 | A | 113 | 188 | 1.666 | 142 | 644 | ||
CH3CH2CHO | Propanal | 1 | A' | 3230 | 2981 | 0.923 | 143 | 645 |
2 | A' | 3134 | 2904 | 0.926 | 143 | 646 | ||
3 | A' | 3102 | 2895 | 0.933 | 143 | 647 | ||
4 | A' | 3011 | 2809 | 0.933 | 143 | 648 | ||
5 | A' | 1763 | 1743 | 0.989 | 143 | 649 | ||
6 | A' | 1544 | 1460 | 0.946 | 143 | 650 | ||
7 | A' | 1500 | 1416 | 0.944 | 143 | 651 | ||
8 | A' | 1465 | 1390 | 0.949 | 143 | 652 | ||
9 | A' | 1439 | 1376 | 0.956 | 143 | 653 | ||
10 | A' | 1406 | 1335 | 0.950 | 143 | 654 | ||
11 | A' | 1146 | 1093 | 0.954 | 143 | 655 | ||
12 | A' | 1029 | 993 | 0.965 | 143 | 656 | ||
13 | A' | 888 | 848 | 0.955 | 143 | 657 | ||
14 | A' | 677 | 668 | 0.987 | 143 | 658 | ||
15 | A' | 260 | 271 | 1.041 | 143 | 659 | ||
16 | A" | 3235 | 2992 | 0.925 | 143 | 660 | ||
17 | A" | 3148 | 2942 | 0.935 | 143 | 661 | ||
18 | A" | 1539 | 1451 | 0.943 | 143 | 662 | ||
19 | A" | 1305 | 1250 | 0.958 | 143 | 663 | ||
20 | A" | 1171 | 1118 | 0.955 | 143 | 664 | ||
21 | A" | 917 | 892 | 0.973 | 143 | 665 | ||
22 | A" | 690 | 660 | 0.956 | 143 | 666 | ||
23 | A" | 239 | 220 | 0.922 | 143 | 667 | ||
24 | A" | 130 | 135 | 1.039 | 143 | 668 | ||
CH3OCH2CN | Methoxyacetonitrile | 1 | A | 3259 | 3018 | 0.926 | 144 | 669 |
2 | A | 3213 | 2985 | 0.929 | 144 | 670 | ||
3 | A | 3180 | 2958 | 0.930 | 144 | 671 | ||
4 | A | 3096 | 2945 | 0.951 | 144 | 672 | ||
5 | A | 3093 | 2922 | 0.945 | 144 | 673 | ||
6 | A | 2194 | 2245 | 1.023 | 144 | 674 | ||
7 | A | 1556 | 1472 | 0.946 | 144 | 675 | ||
8 | A | 1540 | 1452 | 0.943 | 144 | 676 | ||
9 | A | 1525 | 1439 | 0.944 | 144 | 677 | ||
10 | A | 1513 | 1431 | 0.946 | 144 | 678 | ||
11 | A | 1411 | 1368 | 0.970 | 144 | 679 | ||
12 | A | 1325 | 1287 | 0.971 | 144 | 680 | ||
13 | A | 1235 | 1199 | 0.971 | 144 | 681 | ||
14 | A | 1202 | 1161 | 0.966 | 144 | 682 | ||
15 | A | 1170 | 1127 | 0.964 | 144 | 683 | ||
16 | A | 1047 | 1016 | 0.971 | 144 | 684 | ||
17 | A | 952 | 925 | 0.972 | 144 | 685 | ||
18 | A | 913 | 890 | 0.975 | 144 | 686 | ||
19 | A | 587 | 586 | 0.998 | 144 | 687 | ||
20 | A | 391 | 404 | 1.034 | 144 | 688 | ||
21 | A | 329 | 347 | 1.054 | 144 | 689 | ||
22 | A | 252 | 243 | 0.962 | 144 | 690 | ||
23 | A | 172 | 170 | 0.989 | 144 | 691 | ||
24 | A | 118 | 113 | 0.959 | 144 | 692 | ||
C3H8 | Propane | 1 | A1 | 3208 | 2977 | 0.928 | 145 | 693 |
2 | A1 | 3117 | 2962 | 0.950 | 145 | 694 | ||
3 | A1 | 3111 | 2887 | 0.928 | 145 | 695 | ||
4 | A1 | 1556 | 1476 | 0.948 | 145 | 696 | ||
5 | A1 | 1537 | 1462 | 0.951 | 145 | 697 | ||
6 | A1 | 1466 | 1392 | 0.950 | 145 | 698 | ||
7 | A1 | 1213 | 1158 | 0.954 | 145 | 699 | ||
8 | A1 | 909 | 869 | 0.956 | 145 | 700 | ||
9 | A1 | 376 | 369 | 0.982 | 145 | 701 | ||
10 | A2 | 3199 | 2967 | 0.928 | 145 | 702 | ||
11 | A2 | 1536 | 1451 | 0.945 | 145 | 703 | ||
12 | A2 | 1344 | 1278 | 0.951 | 145 | 704 | ||
13 | A2 | 930 | 940 | 1.011 | 145 | 705 | ||
14 | A2 | 229 | 216 | 0.942 | 145 | 706 | ||
15 | B1 | 3207 | 2973 | 0.927 | 145 | 707 | ||
16 | B1 | 3162 | 2968 | 0.939 | 145 | 708 | ||
17 | B1 | 1552 | 1472 | 0.948 | 145 | 709 | ||
18 | B1 | 1252 | 1192 | 0.952 | 145 | 710 | ||
19 | B1 | 770 | 748 | 0.972 | 145 | 711 | ||
20 | B1 | 289 | 268 | 0.928 | 145 | 712 | ||
21 | B2 | 3206 | 2968 | 0.926 | 145 | 713 | ||
22 | B2 | 3109 | 2887 | 0.928 | 145 | 714 | ||
23 | B2 | 1541 | 1464 | 0.950 | 145 | 715 | ||
24 | B2 | 1452 | 1378 | 0.949 | 145 | 716 | ||
25 | B2 | 1404 | 1338 | 0.953 | 145 | 717 | ||
26 | B2 | 1104 | 1054 | 0.955 | 145 | 718 | ||
27 | B2 | 953 | 922 | 0.968 | 145 | 719 | ||
CH3CHClCH3 | Propane, 2-chloro- | 1 | A' | 3233 | 3005 | 0.929 | 146 | 720 |
2 | A' | 3216 | 2955 | 0.919 | 146 | 721 | ||
3 | A' | 3169 | 2927 | 0.924 | 146 | 722 | ||
4 | A' | 3120 | 2878 | 0.922 | 146 | 723 | ||
5 | A' | 1548 | 1472 | 0.951 | 146 | 724 | ||
6 | A' | 1536 | 1454 | 0.946 | 146 | 725 | ||
7 | A' | 1466 | 1390 | 0.948 | 146 | 726 | ||
8 | A' | 1348 | 1270 | 0.942 | 146 | 727 | ||
9 | A' | 1224 | 1163 | 0.950 | 146 | 728 | ||
10 | A' | 1120 | 1065 | 0.951 | 146 | 729 | ||
11 | A' | 936 | 888 | 0.949 | 146 | 730 | ||
12 | A' | 673 | 633 | 0.941 | 146 | 731 | ||
13 | A' | 435 | 418 | 0.961 | 146 | 732 | ||
14 | A' | 348 | 336 | 0.966 | 146 | 733 | ||
15 | A' | 285 | 253 | 0.886 | 146 | 734 | ||
16 | A" | 3231 | 2997 | 0.928 | 146 | 735 | ||
17 | A" | 3211 | 2985 | 0.930 | 146 | 736 | ||
18 | A" | 3117 | 2947 | 0.945 | 146 | 737 | ||
19 | A" | 1528 | 1472 | 0.963 | 146 | 738 | ||
20 | A" | 1524 | 1454 | 0.954 | 146 | 739 | ||
21 | A" | 1450 | 1377 | 0.950 | 146 | 740 | ||
22 | A" | 1389 | 1334 | 0.960 | 146 | 741 | ||
23 | A" | 1188 | 1123 | 0.946 | 146 | 742 | ||
24 | A" | 983 | 972 | 0.989 | 146 | 743 | ||
25 | A" | 962 | 936 | 0.973 | 146 | 744 | ||
26 | A" | 334 | 317 | 0.950 | 146 | 745 | ||
27 | A" | 252 | 276 | 1.094 | 146 | 746 | ||
C6H6 | Benzene | 1 | A1g | 3278 | 3062 | 0.934 | 147 | 747 |
2 | A1g | 1020 | 992 | 0.973 | 147 | 748 | ||
3 | A2g | 1392 | 1326 | 0.953 | 147 | 749 | ||
4 | A2u | 675 | 673 | 0.997 | 147 | 750 | ||
5 | B1u | 3243 | 3068 | 0.946 | 147 | 751 | ||
6 | B1u | 1015 | 1010 | 0.995 | 147 | 752 | ||
7 | B2g | 879 | 995 | 1.132 | 147 | 753 | ||
8 | B2g | 215 | 703 | 3.270 | 147 | 754 | ||
9 | B2u | 1465 | 1310 | 0.894 | 147 | 755 | ||
10 | B2u | 1195 | 1150 | 0.962 | 147 | 756 | ||
11 | E1g | 837 | 849 | 1.014 | 147 | 757 | ||
12 | E1u | 3268 | 3063 | 0.937 | 147 | 758 | ||
13 | E1u | 1531 | 1486 | 0.971 | 147 | 759 | ||
14 | E1u | 1075 | 1038 | 0.966 | 147 | 760 | ||
15 | E2g | 3253 | 3047 | 0.937 | 147 | 761 | ||
16 | E2g | 1662 | 1596 | 0.960 | 147 | 762 | ||
17 | E2g | 1218 | 1178 | 0.967 | 147 | 763 | ||
18 | E2g | 616 | 606 | 0.984 | 147 | 764 | ||
19 | E2u | 897 | 975 | 1.087 | 147 | 765 | ||
20 | E2u | 377 | 410 | 1.088 | 147 | 766 | ||
CH3CH2CH2CH3 | Butane | Ag | 435 | 1442 | 3.317 | 148 | 767 | |
Ag | 871 | 1151 | 1.322 | 148 | 768 | |||
Au | 1320 | 1257 | 0.952 | 148 | 769 | |||
Bg | 1544 | 1300 | 0.842 | 148 | 770 | |||
Bu | 3106 | 2870 | 0.924 | 148 | 771 | |||
Bu | 3110 | 2853 | 0.917 | 148 | 772 | |||
Bu | 3206 | 271 | 0.085 | 148 | 773 | |||
C8H8 | cubane | 1 | A1g | 3210 | 2995 | 0.933 | 149 | 774 |
2 | A1g | 1038 | 1002 | 0.965 | 149 | 775 | ||
3 | A2u | 3174 | 2978 | 0.938 | 149 | 776 | ||
4 | A2u | 973 | 839 | 0.862 | 149 | 777 | ||
5 | Eg | 1143 | 1083 | 0.948 | 149 | 778 | ||
6 | Eg | 939 | 912 | 0.971 | 149 | 779 | ||
7 | Eu | 1090 | 1151 | 1.056 | 149 | 780 | ||
8 | Eu | 574 | 617 | 1.074 | 149 | 781 | ||
9 | T1g | 1164 | 1130 | 0.971 | 149 | 782 | ||
10 | T1u | 3193 | 2978 | 0.933 | 149 | 783 | ||
11 | T1u | 1292 | 1230 | 0.952 | 149 | 784 | ||
12 | T1u | 880 | 853 | 0.970 | 149 | 785 | ||
13 | T2g | 3184 | 2970 | 0.933 | 149 | 786 | ||
14 | T2g | 1217 | 1182 | 0.971 | 149 | 787 | ||
15 | T2g | 833 | 821 | 0.986 | 149 | 788 | ||
16 | T2g | 639 | 665 | 1.041 | 149 | 789 | ||
17 | T2u | 1082 | 1036 | 0.957 | 149 | 790 | ||
18 | T2u | 849 | 829 | 0.977 | 149 | 791 | ||
C5H12 | Pentane | 1 | A1 | 3206 | 2973 | 0.927 | 150 | 792 |
2 | A1 | 3110 | 2892 | 0.930 | 150 | 793 | ||
3 | A1 | 3106 | 2866 | 0.923 | 150 | 794 | ||
4 | A1 | 3086 | 2866 | 0.929 | 150 | 795 | ||
5 | A1 | 1554 | 1480 | 0.952 | 150 | 796 | ||
6 | A1 | 1540 | 1463 | 0.950 | 150 | 797 | ||
7 | A1 | 1530 | 1450 | 0.948 | 150 | 798 | ||
8 | A1 | 1456 | 1379 | 0.947 | 150 | 799 | ||
9 | A1 | 1400 | 1346 | 0.961 | 150 | 800 | ||
10 | A1 | 1196 | 1144 | 0.956 | 150 | 801 | ||
11 | A1 | 1089 | 1036 | 0.952 | 150 | 802 | ||
12 | A1 | 900 | 867 | 0.963 | 150 | 803 | ||
13 | A1 | 408 | 401 | 0.983 | 150 | 804 | ||
14 | A1 | 181 | 179 | 0.991 | 150 | 805 | ||
15 | A2 | 3203 | 2967 | 0.926 | 150 | 806 | ||
16 | A2 | 3152 | 2908 | 0.923 | 150 | 807 | ||
17 | A2 | 1544 | 1462 | 0.947 | 150 | 808 | ||
18 | A2 | 1353 | 1346 | 0.995 | 150 | 809 | ||
19 | A2 | 1298 | 1269 | 0.978 | 150 | 810 | ||
20 | A2 | 1011 | 993 | 0.982 | 150 | 811 | ||
21 | A2 | 784 | 766 | 0.977 | 150 | 812 | ||
22 | A2 | 260 | 210 | 0.807 | 150 | 813 | ||
23 | A2 | 103 | 131 | 1.267 | 150 | 814 | ||
24 | B1 | 3203 | 2965 | 0.926 | 150 | 815 | ||
25 | B1 | 3165 | 2930 | 0.926 | 150 | 816 | ||
26 | B1 | 3131 | 2930 | 0.936 | 150 | 817 | ||
27 | B1 | 1544 | 1469 | 0.952 | 150 | 818 | ||
28 | B1 | 1351 | 1303 | 0.964 | 150 | 819 | ||
29 | B1 | 1244 | 1170 | 0.941 | 150 | 820 | ||
30 | B1 | 887 | 858 | 0.968 | 150 | 821 | ||
31 | B1 | 746 | 727 | 0.975 | 150 | 822 | ||
32 | B1 | 249 | 215 | 0.863 | 150 | 823 | ||
33 | B1 | 116 | 88 | 0.760 | 150 | 824 | ||
34 | B2 | 3205 | 2965 | 0.925 | 150 | 825 | ||
35 | B2 | 3110 | 2879 | 0.926 | 150 | 826 | ||
36 | B2 | 3101 | 2866 | 0.924 | 150 | 827 | ||
37 | B2 | 1548 | 1476 | 0.953 | 150 | 828 | ||
38 | B2 | 1532 | 1456 | 0.950 | 150 | 829 | ||
39 | B2 | 1453 | 1389 | 0.956 | 150 | 830 | ||
40 | B2 | 1443 | 1379 | 0.955 | 150 | 831 | ||
41 | B2 | 1315 | 1269 | 0.965 | 150 | 832 | ||
42 | B2 | 1120 | 1073 | 0.958 | 150 | 833 | ||
43 | B2 | 1073 | 1024 | 0.955 | 150 | 834 | ||
44 | B2 | 958 | 910 | 0.950 | 150 | 835 | ||
45 | B2 | 404 | 406 | 1.005 | 150 | 836 | ||
C5H12 | Propane, 2,2-dimethyl- | 1 | A1 | 3101 | 2909 | 0.938 | 151 | 837 |
2 | A1 | 1473 | 1381 | 0.938 | 151 | 838 | ||
3 | A1 | 755 | 733 | 0.971 | 151 | 839 | ||
4 | A2 | 197 | 198 | 1.005 | 151 | 840 | ||
5 | E | 3189 | 2955 | 0.927 | 151 | 841 | ||
6 | E | 1528 | 1451 | 0.949 | 151 | 842 | ||
7 | E | 1113 | 999 | 0.898 | 151 | 843 | ||
8 | E | 338 | 335 | 0.992 | 151 | 844 | ||
9 | T1 | 3188 | 2975 | 0.933 | 151 | 845 | ||
10 | T1 | 1521 | 1461 | 0.961 | 151 | 846 | ||
11 | T1 | 981 | 932 | 0.950 | 151 | 847 | ||
12 | T1 | 283 | 203 | 0.717 | 151 | 848 | ||
13 | T2 | 3194 | 2959 | 0.926 | 151 | 849 | ||
14 | T2 | 3093 | 2876 | 0.930 | 151 | 850 | ||
15 | T2 | 1557 | 1475 | 0.947 | 151 | 851 | ||
16 | T2 | 1434 | 1372 | 0.957 | 151 | 852 | ||
17 | T2 | 1320 | 1256 | 0.952 | 151 | 853 | ||
18 | T2 | 969 | 925 | 0.955 | 151 | 854 | ||
19 | T2 | 423 | 418 | 0.988 | 151 | 855 | ||
C6H14 | Hexane | 1 | Ag | 3205 | 2966 | 0.926 | 152 | 856 |
2 | Ag | 3110 | 2877 | 0.925 | 152 | 857 | ||
3 | Ag | 3103 | 2863 | 0.923 | 152 | 858 | ||
4 | Ag | 3085 | 2852 | 0.925 | 152 | 859 | ||
5 | Ag | 1549 | 1460 | 0.942 | 152 | 860 | ||
6 | Ag | 1536 | 1460 | 0.951 | 152 | 861 | ||
7 | Ag | 1528 | 1440 | 0.943 | 152 | 862 | ||
8 | Ag | 1454 | 1397 | 0.960 | 152 | 863 | ||
9 | Ag | 1443 | 1366 | 0.946 | 152 | 864 | ||
10 | Ag | 1367 | 1305 | 0.955 | 152 | 865 | ||
11 | Ag | 1192 | 1140 | 0.956 | 152 | 866 | ||
12 | Ag | 1116 | 1065 | 0.954 | 152 | 867 | ||
13 | Ag | 1055 | 1007 | 0.954 | 152 | 868 | ||
14 | Ag | 931 | 901 | 0.967 | 152 | 869 | ||
15 | Ag | 375 | 371 | 0.988 | 152 | 870 | ||
16 | Ag | 302 | 305 | 1.009 | 152 | 871 | ||
17 | Au | 3203 | 2967 | 0.926 | 152 | 872 | ||
18 | Au | 3165 | 2936 | 0.928 | 152 | 873 | ||
19 | Au | 3140 | 2920 | 0.930 | 152 | 874 | ||
20 | Au | 1543 | 1460 | 0.946 | 152 | 875 | ||
21 | Au | 1359 | 1303 | 0.959 | 152 | 876 | ||
22 | Au | 1283 | 1222 | 0.952 | 152 | 877 | ||
23 | Au | 1029 | 1010 | 0.981 | 152 | 878 | ||
24 | Au | 827 | 824 | 0.996 | 152 | 879 | ||
25 | Au | 743 | 726 | 0.978 | 152 | 880 | ||
26 | Au | 259 | 216 | 0.833 | 152 | 881 | ||
27 | Au | 100 | 94 | 0.944 | 152 | 882 | ||
28 | Au | 72 | 61 | 0.851 | 152 | 883 | ||
29 | Bg | 3203 | 2966 | 0.926 | 152 | 884 | ||
30 | Bg | 3157 | 2908 | 0.921 | 152 | 885 | ||
31 | Bg | 3128 | 2908 | 0.930 | 152 | 886 | ||
32 | Bg | 1544 | 1460 | 0.946 | 152 | 887 | ||
33 | Bg | 1349 | 1305 | 0.967 | 152 | 888 | ||
34 | Bg | 1334 | 1283 | 0.962 | 152 | 889 | ||
35 | Bg | 1242 | 1168 | 0.941 | 152 | 890 | ||
36 | Bg | 927 | 894 | 0.964 | 152 | 891 | ||
37 | Bg | 762 | 740 | 0.971 | 152 | 892 | ||
38 | Bg | 248 | 208 | 0.839 | 152 | 893 | ||
39 | Bg | 146 | 125 | 0.855 | 152 | 894 | ||
40 | Bu | 3205 | 2967 | 0.926 | 152 | 895 | ||
41 | Bu | 3110 | 2884 | 0.927 | 152 | 896 | ||
42 | Bu | 3105 | 2867 | 0.923 | 152 | 897 | ||
43 | Bu | 3089 | 2851 | 0.923 | 152 | 898 | ||
44 | Bu | 1554 | 1476 | 0.950 | 152 | 899 | ||
45 | Bu | 1542 | 1465 | 0.950 | 152 | 900 | ||
46 | Bu | 1529 | 1452 | 0.950 | 152 | 901 | ||
47 | Bu | 1454 | 1387 | 0.954 | 152 | 902 | ||
48 | Bu | 1423 | 1375 | 0.966 | 152 | 903 | ||
49 | Bu | 1292 | 1249 | 0.966 | 152 | 904 | ||
50 | Bu | 1111 | 1061 | 0.955 | 152 | 905 | ||
51 | Bu | 1091 | 1035 | 0.948 | 152 | 906 | ||
52 | Bu | 920 | 888 | 0.965 | 152 | 907 | ||
53 | Bu | 474 | 470 | 0.991 | 152 | 908 | ||
54 | Bu | 132 | 139 | 1.050 | 152 | 909 |
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600 | ![]() |
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500 | ![]() |
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400 | ![]() |
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300 | ![]() |
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200 | ![]() |
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100 | ![]() |
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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 |