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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 | ||
0.969 ± 0.036 | 69 | 311 | cccbdb |
Formula | Name | Mode | Symmetry | Frequency | Count | |||
---|---|---|---|---|---|---|---|---|
Theory | Experiment | ratio | molecules | vibrations | ||||
H2 | Hydrogen diatomic | 1 | Σg | 4442 | 4161 | 0.937 | 1 | 1 |
LiH | Lithium Hydride | 1 | Σ | 1405 | 1360 | 0.968 | 2 | 2 |
NaH | sodium hydride | 1 | Σ | 1147 | 1133 | 0.988 | 3 | 3 |
N2 | Nitrogen diatomic | 1 | Σg | 2191 | 2330 | 1.063 | 4 | 4 |
BeO | beryllium oxide | 1 | Σ | 994 | 1435 | 1.443 | 5 | 5 |
CO | Carbon monoxide | 1 | Σ | 2009 | 2143 | 1.067 | 6 | 6 |
1 | Σ | 2391 | 6 | 7 | ||||
MgO | magnesium oxide | 1 | Σ | 1148 | 775 | 0.675 | 7 | 8 |
CS | carbon monosulfide | 1 | Σ | 1168 | 1272 | 1.090 | 8 | 9 |
HF | Hydrogen fluoride | 1 | Σ | 4167 | 3961 | 0.951 | 9 | 10 |
CF | Fluoromethylidyne | 1 | Σ | 1301 | 1286 | 0.989 | 10 | 11 |
F2 | Fluorine diatomic | 1 | Σg | 924 | 894 | 0.967 | 11 | 12 |
NaF | sodium fluoride | 1 | Σ | 543 | 529 | 0.974 | 12 | 13 |
HCl | Hydrogen chloride | 1 | Σ | 3011 | 2886 | 0.958 | 13 | 14 |
LiCl | lithium chloride | 1 | Σ | 637 | 634 | 0.995 | 14 | 15 |
CCl | carbon monochloride | 1 | Σ | 870 | 866 | 0.996 | 15 | 16 |
NaCl | Sodium Chloride | 1 | Σ | 353 | 361 | 1.023 | 16 | 17 |
Cl2 | Chlorine diatomic | 1 | Σg | 550 | 554 | 1.008 | 17 | 18 |
MgH2 | magnesium dihydride | 2 | Σu | 1645 | 1572 | 0.956 | 18 | 19 |
3 | Πu | 442 | 440 | 0.995 | 18 | 20 | ||
HCN | Hydrogen cyanide | 1 | Σ | 3439 | 3312 | 0.963 | 19 | 21 |
2 | Σ | 2014 | 2089 | 1.037 | 19 | 22 | ||
3 | Π | 705 | 712 | 1.010 | 19 | 23 | ||
HNC | hydrogen isocyanide | 1 | Σ | 3824 | 3653 | 0.955 | 20 | 24 |
2 | Σ | 1960 | 2029 | 1.035 | 20 | 25 | ||
3 | Π | 452 | 477 | 1.055 | 20 | 26 | ||
HCP | Phosphaethyne | 1 | Σ | 3334 | 3217 | 0.965 | 21 | 27 |
2 | Σ | 1221 | 1278 | 1.047 | 21 | 28 | ||
3 | Π | 673 | 674 | 1.003 | 21 | 29 | ||
H2O | Water | 1 | A1 | 3834 | 3657 | 0.954 | 22 | 30 |
2 | A1 | 1664 | 1595 | 0.959 | 22 | 31 | ||
3 | B2 | 3943 | 3756 | 0.952 | 22 | 32 | ||
LiOH | lithium hydroxide | 1 | Σ | 3994 | 3688 | 0.923 | 23 | 33 |
2 | Σ | 956 | 871 | 0.911 | 23 | 34 | ||
3 | Π | 318 | 257 | 0.807 | 23 | 35 | ||
HCO | Formyl radical | 1 | A' | 2672 | 2434 | 0.911 | 24 | 36 |
2 | A' | 1862 | 1868 | 1.003 | 24 | 37 | ||
3 | A' | 1108 | 1081 | 0.976 | 24 | 38 | ||
HO2 | Hydroperoxy radical | 1 | A' | 3671 | 3436 | 0.936 | 25 | 39 |
2 | A' | 1442 | 1392 | 0.965 | 25 | 40 | ||
3 | A' | 1185 | 1098 | 0.926 | 25 | 41 | ||
CO2 | Carbon dioxide | 1 | Σg | 1270 | 1333 | 1.050 | 26 | 42 |
2 | Σu | 2348 | 2349 | 1.000 | 26 | 43 | ||
3 | Πu | 634 | 667 | 1.051 | 26 | 44 | ||
NaOH | sodium hydroxide | 1 | Σ | 3936 | 3637 | 0.924 | 27 | 45 |
2 | Σ | 568 | 540 | 0.951 | 27 | 46 | ||
3 | Π | 213 | 300 | 1.411 | 27 | 47 | ||
SiO2 | silicon dioxide | 2 | Σu | 1358 | 1416 | 1.043 | 28 | 48 |
3 | Πu | 270 | 273 | 1.008 | 28 | 49 | ||
H2S | Hydrogen sulfide | 1 | A1 | 2731 | 2615 | 0.957 | 29 | 50 |
2 | A1 | 1204 | 1183 | 0.982 | 29 | 51 | ||
3 | B2 | 2747 | 2626 | 0.956 | 29 | 52 | ||
OCS | Carbonyl sulfide | 1 | Σ | 1998 | 2062 | 1.032 | 30 | 53 |
2 | Σ | 846 | 859 | 1.015 | 30 | 54 | ||
3 | Π | 504 | 520 | 1.033 | 30 | 55 | ||
SO2 | Sulfur dioxide | 1 | A1 | 1032 | 1151 | 1.116 | 31 | 56 |
2 | A1 | 483 | 518 | 1.071 | 31 | 57 | ||
3 | B2 | 1252 | 1362 | 1.088 | 31 | 58 | ||
CF2 | Difluoromethylene | 1 | A1 | 1228 | 1225 | 0.997 | 32 | 59 |
2 | A1 | 664 | 667 | 1.005 | 32 | 60 | ||
3 | B2 | 1133 | 1114 | 0.984 | 32 | 61 | ||
NF2 | Difluoroamino radical | 1 | A1 | 1096 | 1075 | 0.981 | 33 | 62 |
2 | A1 | 574 | 573 | 0.999 | 33 | 63 | ||
3 | B2 | 961 | 942 | 0.981 | 33 | 64 | ||
F2O | Difluorine monoxide | 1 | A1 | 918 | 928 | 1.011 | 34 | 65 |
2 | A1 | 459 | 461 | 1.005 | 34 | 66 | ||
3 | B2 | 842 | 831 | 0.987 | 34 | 67 | ||
ClCN | chlorocyanogen | 1 | Σ | 2114 | 2216 | 1.048 | 35 | 68 |
2 | Σ | 730 | 744 | 1.019 | 35 | 69 | ||
3 | Π | 376 | 378 | 1.006 | 35 | 70 | ||
ClNO | Nitrosyl chloride | 1 | A' | 1758 | 1800 | 1.024 | 36 | 71 |
2 | A' | 582 | 596 | 1.024 | 36 | 72 | ||
3 | A' | 325 | 332 | 1.023 | 36 | 73 | ||
CCl2 | dichloromethylene | 1 | A1 | 726 | 730 | 1.006 | 37 | 74 |
2 | A1 | 333 | 335 | 1.007 | 37 | 75 | ||
3 | B2 | 749 | 758 | 1.012 | 37 | 76 | ||
C2H2 | Acetylene | 1 | Σg | 3512 | 3374 | 0.961 | 38 | 77 |
2 | Σg | 1961 | 1974 | 1.006 | 38 | 78 | ||
3 | Σu | 3415 | 3289 | 0.963 | 38 | 79 | ||
4 | Πg | 566 | 612 | 1.081 | 38 | 80 | ||
5 | Πu | 743 | 730 | 0.982 | 38 | 81 | ||
NH3 | Ammonia | 1 | A1 | 3470 | 3337 | 0.962 | 39 | 82 |
2 | A1 | 1108 | 950 | 0.857 | 39 | 83 | ||
3 | E | 3601 | 3444 | 0.956 | 39 | 84 | ||
4 | E | 1687 | 1627 | 0.964 | 39 | 85 | ||
C2N2 | Cyanogen | 1 | Σg | 2234 | 2330 | 1.043 | 40 | 86 |
2 | Σg | 840 | 846 | 1.007 | 40 | 87 | ||
3 | Σu | 2043 | 2158 | 1.056 | 40 | 88 | ||
4 | Πg | 500 | 503 | 1.007 | 40 | 89 | ||
5 | Πu | 233 | 234 | 1.005 | 40 | 90 | ||
H2CO | Formaldehyde | 1 | A1 | 2919 | 2782 | 0.953 | 41 | 91 |
2 | A1 | 1745 | 1746 | 1.001 | 41 | 92 | ||
3 | A1 | 1532 | 1500 | 0.979 | 41 | 93 | ||
4 | B1 | 1188 | 1167 | 0.982 | 41 | 94 | ||
5 | B2 | 2983 | 2843 | 0.953 | 41 | 95 | ||
6 | B2 | 1266 | 1249 | 0.987 | 41 | 96 | ||
H2O2 | Hydrogen peroxide | 1 | A | 3800 | 3599 | 0.947 | 42 | 97 |
2 | A | 1426 | 1402 | 0.983 | 42 | 98 | ||
3 | A | 898 | 877 | 0.977 | 42 | 99 | ||
4 | A | 357 | 371 | 1.038 | 42 | 100 | ||
5 | B | 3798 | 3608 | 0.950 | 42 | 101 | ||
6 | B | 1313 | 1266 | 0.964 | 42 | 102 | ||
HNCO | Isocyanic acid | 1 | A' | 3679 | 3538 | 0.962 | 43 | 103 |
2 | A' | 2270 | 2269 | 0.999 | 43 | 104 | ||
3 | A' | 1250 | 1327 | 1.061 | 43 | 105 | ||
4 | A' | 819 | 777 | 0.948 | 43 | 106 | ||
5 | A' | 554 | 577 | 1.042 | 43 | 107 | ||
6 | A" | 608 | 656 | 1.079 | 43 | 108 | ||
HNO2 | Nitrous acid | 1 | A' | 3765 | 3591 | 0.954 | 44 | 109 |
2 | A' | 1641 | 1700 | 1.036 | 44 | 110 | ||
3 | A' | 1273 | 1263 | 0.992 | 44 | 111 | ||
4 | A' | 796 | 790 | 0.992 | 44 | 112 | ||
5 | A' | 569 | 596 | 1.046 | 44 | 113 | ||
6 | A" | 582 | 543 | 0.933 | 44 | 114 | ||
H2CS | Thioformaldehyde | 1 | A1 | 3073 | 2971 | 0.967 | 45 | 115 |
2 | A1 | 1494 | 1456 | 0.974 | 45 | 116 | ||
3 | A1 | 1061 | 1059 | 0.998 | 45 | 117 | ||
4 | B1 | 1006 | 990 | 0.984 | 45 | 118 | ||
5 | B2 | 3165 | 3025 | 0.956 | 45 | 119 | ||
6 | B2 | 1002 | 991 | 0.989 | 45 | 120 | ||
SO3 | Sulfur trioxide | 1 | A1' | 987 | 1065 | 1.080 | 46 | 121 |
2 | A2" | 469 | 498 | 1.063 | 46 | 122 | ||
3 | E' | 1349 | 1391 | 1.031 | 46 | 123 | ||
4 | E' | 497 | 530 | 1.066 | 46 | 124 | ||
CF2O | Carbonic difluoride | 1 | A1 | 1937 | 1928 | 0.995 | 47 | 125 |
2 | A1 | 956 | 965 | 1.009 | 47 | 126 | ||
3 | A1 | 581 | 584 | 1.005 | 47 | 127 | ||
4 | B1 | 772 | 774 | 1.002 | 47 | 128 | ||
5 | B2 | 1259 | 1249 | 0.992 | 47 | 129 | ||
6 | B2 | 614 | 626 | 1.019 | 47 | 130 | ||
BF3 | Borane, trifluoro- | 1 | A1' | 888 | 888 | 1.000 | 48 | 131 |
2 | A2" | 694 | 691 | 0.996 | 48 | 132 | ||
3 | E' | 1479 | 1449 | 0.980 | 48 | 133 | ||
4 | E' | 479 | 480 | 1.002 | 48 | 134 | ||
CF3 | Trifluoromethyl radical | 1 | A1 | 1100 | 1089 | 0.990 | 49 | 135 |
2 | A1 | 706 | 701 | 0.993 | 49 | 136 | ||
3 | E | 1282 | 1260 | 0.983 | 49 | 137 | ||
4 | E | 509 | 509 | 0.998 | 49 | 138 | ||
NF3 | Nitrogen trifluoride | 1 | A1 | 1026 | 1032 | 1.006 | 50 | 139 |
2 | A1 | 648 | 647 | 0.999 | 50 | 140 | ||
3 | E | 905 | 907 | 1.002 | 50 | 141 | ||
4 | E | 491 | 492 | 1.003 | 50 | 142 | ||
PF3 | Phosphorus trifluoride | 1 | A1 | 889 | 892 | 1.004 | 51 | 143 |
2 | A1 | 478 | 487 | 1.020 | 51 | 144 | ||
3 | E | 864 | 860 | 0.995 | 51 | 145 | ||
4 | E | 340 | 344 | 1.011 | 51 | 146 | ||
PCl3 | Phosphorus trichloride | 1 | A1 | 516 | 504 | 0.977 | 52 | 147 |
2 | A1 | 257 | 252 | 0.981 | 52 | 148 | ||
3 | E | 508 | 482 | 0.949 | 52 | 149 | ||
4 | E | 185 | 198 | 1.068 | 52 | 150 | ||
CH4 | Methane | 1 | A1 | 3039 | 2917 | 0.960 | 53 | 151 |
2 | E | 1572 | 1534 | 0.976 | 53 | 152 | ||
3 | T2 | 3163 | 3019 | 0.955 | 53 | 153 | ||
4 | T2 | 1343 | 1306 | 0.972 | 53 | 154 | ||
CH2NH | Methanimine | 1 | A' | 3439 | 3263 | 0.949 | 54 | 155 |
2 | A' | 3152 | 3024 | 0.959 | 54 | 156 | ||
3 | A' | 3049 | 2914 | 0.956 | 54 | 157 | ||
4 | A' | 1660 | 1638 | 0.987 | 54 | 158 | ||
5 | A' | 1477 | 1452 | 0.983 | 54 | 159 | ||
6 | A' | 1379 | 1344 | 0.975 | 54 | 160 | ||
7 | A' | 1069 | 1058 | 0.990 | 54 | 161 | ||
8 | A" | 1165 | 1127 | 0.968 | 54 | 162 | ||
9 | A" | 1081 | 1061 | 0.982 | 54 | 163 | ||
HNO3 | Nitric acid | 1 | A' | 3730 | 3550 | 0.952 | 55 | 164 |
2 | A' | 1771 | 1708 | 0.965 | 55 | 165 | ||
3 | A' | 1328 | 1331 | 1.002 | 55 | 166 | ||
4 | A' | 1286 | 1325 | 1.030 | 55 | 167 | ||
5 | A' | 857 | 879 | 1.025 | 55 | 168 | ||
6 | A' | 631 | 647 | 1.025 | 55 | 169 | ||
7 | A' | 569 | 579 | 1.017 | 55 | 170 | ||
8 | A" | 759 | 762 | 1.004 | 55 | 171 | ||
9 | A" | 486 | 456 | 0.938 | 55 | 172 | ||
C3O2 | Carbon suboxide | 1 | Σg | 2123 | 2196 | 1.034 | 56 | 173 |
2 | Σg | 742 | 786 | 1.060 | 56 | 174 | ||
3 | Σu | 2367 | 2258 | 0.954 | 56 | 175 | ||
4 | Σu | 1527 | 1573 | 1.030 | 56 | 176 | ||
5 | Πg | 557 | 573 | 1.029 | 56 | 177 | ||
6 | Πu | 508 | 550 | 1.083 | 56 | 178 | ||
7 | Πu | 53 | 61 | 1.150 | 56 | 179 | ||
CH3F | Methyl fluoride | 1 | A1 | 3047 | 2930 | 0.962 | 57 | 180 |
2 | A1 | 1498 | 1464 | 0.977 | 57 | 181 | ||
3 | A1 | 1081 | 1049 | 0.970 | 57 | 182 | ||
4 | E | 3138 | 3006 | 0.958 | 57 | 183 | ||
5 | E | 1507 | 1467 | 0.973 | 57 | 184 | ||
6 | E | 1205 | 1182 | 0.981 | 57 | 185 | ||
CHF3 | Methane, trifluoro- | 1 | A1 | 3162 | 3036 | 0.960 | 58 | 186 |
2 | A1 | 1148 | 1117 | 0.973 | 58 | 187 | ||
3 | A1 | 702 | 700 | 0.997 | 58 | 188 | ||
4 | E | 1414 | 1372 | 0.970 | 58 | 189 | ||
5 | E | 1185 | 1152 | 0.972 | 58 | 190 | ||
6 | E | 509 | 507 | 0.995 | 58 | 191 | ||
CF4 | Carbon tetrafluoride | 1 | A1 | 908 | 909 | 1.001 | 59 | 192 |
2 | E | 435 | 435 | 1.000 | 59 | 193 | ||
3 | T2 | 1302 | 1283 | 0.986 | 59 | 194 | ||
4 | T2 | 632 | 631 | 0.998 | 59 | 195 | ||
SiF4 | Silicon tetrafluoride | 1 | A1 | 783 | 800 | 1.021 | 60 | 196 |
2 | E | 257 | 268 | 1.041 | 60 | 197 | ||
3 | T2 | 1026 | 1032 | 1.006 | 60 | 198 | ||
4 | T2 | 381 | 389 | 1.022 | 60 | 199 | ||
C2H4 | Ethylene | 1 | Ag | 3162 | 3026 | 0.957 | 61 | 200 |
2 | Ag | 1666 | 1623 | 0.974 | 61 | 201 | ||
3 | Ag | 1368 | 1342 | 0.981 | 61 | 202 | ||
4 | Au | 1054 | 1023 | 0.970 | 61 | 203 | ||
5 | B1u | 3143 | 2989 | 0.951 | 61 | 204 | ||
6 | B1u | 1477 | 1444 | 0.978 | 61 | 205 | ||
7 | B2g | 942 | 940 | 0.997 | 61 | 206 | ||
8 | B2u | 3253 | 3105 | 0.954 | 61 | 207 | ||
9 | B2u | 819 | 826 | 1.008 | 61 | 208 | ||
10 | B3g | 3226 | 3086 | 0.957 | 61 | 209 | ||
11 | B3g | 1240 | 1217 | 0.982 | 61 | 210 | ||
12 | B3u | 969 | 949 | 0.980 | 61 | 211 | ||
C4H2 | Diacetylene | 6 | Πg | 609 | 627 | 1.030 | 62 | 212 |
7 | Πg | 475 | 482 | 1.016 | 62 | 213 | ||
8 | Πu | 616 | 630 | 1.023 | 62 | 214 | ||
9 | Πu | 227 | 231 | 1.018 | 62 | 215 | ||
N2H4 | Hydrazine | 1 | A | 3574 | 3398 | 0.951 | 63 | 216 |
2 | A | 3474 | 3329 | 0.958 | 63 | 217 | ||
3 | A | 1687 | 1642 | 0.973 | 63 | 218 | ||
4 | A | 1346 | 1275 | 0.948 | 63 | 219 | ||
5 | A | 1125 | 1076 | 0.957 | 63 | 220 | ||
6 | A | 852 | 780 | 0.915 | 63 | 221 | ||
7 | A | 400 | 377 | 0.943 | 63 | 222 | ||
8 | B | 3579 | 3350 | 0.936 | 63 | 223 | ||
9 | B | 3464 | 3314 | 0.957 | 63 | 224 | ||
10 | B | 1674 | 1628 | 0.973 | 63 | 225 | ||
11 | B | 1311 | 1275 | 0.972 | 63 | 226 | ||
12 | B | 1046 | 966 | 0.924 | 63 | 227 | ||
C4N2 | 2-Butynedinitrile | 1 | Σg | 2229 | 2290 | 1.027 | 64 | 228 |
2 | Σg | 2022 | 2119 | 1.048 | 64 | 229 | ||
3 | Σg | 590 | 692 | 1.172 | 64 | 230 | ||
4 | Σu | 2141 | 2241 | 1.047 | 64 | 231 | ||
5 | Σu | 1136 | 1154 | 1.016 | 64 | 232 | ||
6 | Πg | 501 | 504 | 1.005 | 64 | 233 | ||
7 | Πg | 266 | 263 | 0.990 | 64 | 234 | ||
8 | Πu | 476 | 472 | 0.992 | 64 | 235 | ||
9 | Πu | 110 | 107 | 0.977 | 64 | 236 | ||
C2H6 | Ethane | 1 | A1g | 3042 | 2954 | 0.971 | 65 | 237 |
2 | A1g | 1425 | 1388 | 0.974 | 65 | 238 | ||
3 | A1g | 1014 | 995 | 0.981 | 65 | 239 | ||
4 | A1u | 310 | 289 | 0.932 | 65 | 240 | ||
5 | A2u | 3042 | 2896 | 0.952 | 65 | 241 | ||
6 | A2u | 1405 | 1379 | 0.981 | 65 | 242 | ||
7 | Eg | 3105 | 2969 | 0.956 | 65 | 243 | ||
8 | Eg | 1512 | 1468 | 0.971 | 65 | 244 | ||
9 | Eg | 1224 | 1190 | 0.972 | 65 | 245 | ||
10 | Eu | 3128 | 2985 | 0.954 | 65 | 246 | ||
11 | Eu | 1513 | 1469 | 0.971 | 65 | 247 | ||
12 | Eu | 820 | 822 | 1.002 | 65 | 248 | ||
C3H6 | Cyclopropane | 1 | A1' | 3159 | 3038 | 0.962 | 66 | 249 |
2 | A1' | 1525 | 1479 | 0.970 | 66 | 250 | ||
3 | A1' | 1214 | 1188 | 0.979 | 66 | 251 | ||
4 | A1" | 1161 | 1126 | 0.970 | 66 | 252 | ||
5 | A2' | 1085 | 1070 | 0.986 | 66 | 253 | ||
6 | A2" | 3254 | 3103 | 0.954 | 66 | 254 | ||
7 | A2" | 856 | 854 | 0.997 | 66 | 255 | ||
8 | E' | 3149 | 3025 | 0.961 | 66 | 256 | ||
9 | E' | 1476 | 1438 | 0.974 | 66 | 257 | ||
10 | E' | 1057 | 1029 | 0.974 | 66 | 258 | ||
11 | E' | 891 | 866 | 0.972 | 66 | 259 | ||
12 | E" | 3235 | 3082 | 0.953 | 66 | 260 | ||
13 | E" | 1216 | 1188 | 0.977 | 66 | 261 | ||
14 | E" | 739 | 739 | 1.000 | 66 | 262 | ||
CH3CH2OH | Ethanol | 1 | A' | 3843 | 3653 | 0.951 | 67 | 263 |
2 | A' | 3130 | 2984 | 0.953 | 67 | 264 | ||
3 | A' | 3047 | 2939 | 0.965 | 67 | 265 | ||
4 | A' | 3002 | 2900 | 0.966 | 67 | 266 | ||
5 | A' | 1536 | 1490 | 0.970 | 67 | 267 | ||
6 | A' | 1508 | 1464 | 0.971 | 67 | 268 | ||
7 | A' | 1464 | 1412 | 0.965 | 67 | 269 | ||
8 | A' | 1401 | 1371 | 0.979 | 67 | 270 | ||
9 | A' | 1280 | 1256 | 0.981 | 67 | 271 | ||
10 | A' | 1115 | 1091 | 0.978 | 67 | 272 | ||
11 | A' | 1048 | 1028 | 0.980 | 67 | 273 | ||
12 | A' | 906 | 888 | 0.980 | 67 | 274 | ||
13 | A' | 411 | 417 | 1.012 | 67 | 275 | ||
14 | A" | 3135 | 2991 | 0.954 | 67 | 276 | ||
15 | A" | 3038 | 2910 | 0.958 | 67 | 277 | ||
16 | A" | 1490 | 1446 | 0.971 | 67 | 278 | ||
17 | A" | 1304 | 1275 | 0.978 | 67 | 279 | ||
18 | A" | 1184 | 1161 | 0.980 | 67 | 280 | ||
19 | A" | 818 | 812 | 0.993 | 67 | 281 | ||
20 | A" | 283 | 251 | 0.887 | 67 | 282 | ||
21 | A" | 237 | 200 | 0.844 | 67 | 283 | ||
CH3CH2SH | ethanethiol | 1 | A' | 3124 | 2966 | 0.949 | 68 | 284 |
2 | A' | 3070 | 2872 | 0.936 | 68 | 285 | ||
3 | A' | 3043 | 2872 | 0.944 | 68 | 286 | ||
4 | A' | 2717 | 2580 | 0.950 | 68 | 287 | ||
5 | A' | 1509 | 1453 | 0.963 | 68 | 288 | ||
6 | A' | 1495 | 1453 | 0.972 | 68 | 289 | ||
7 | A' | 1411 | 1385 | 0.982 | 68 | 290 | ||
8 | A' | 1299 | 1309 | 1.008 | 68 | 291 | ||
9 | A' | 1114 | 1097 | 0.985 | 68 | 292 | ||
10 | A' | 1001 | 978 | 0.977 | 68 | 293 | ||
11 | A' | 859 | 870 | 1.013 | 68 | 294 | ||
12 | A' | 686 | 660 | 0.962 | 68 | 295 | ||
13 | A' | 301 | 332 | 1.103 | 68 | 296 | ||
14 | A" | 3135 | 2966 | 0.946 | 68 | 297 | ||
15 | A" | 3113 | 2930 | 0.941 | 68 | 298 | ||
16 | A" | 1500 | 1453 | 0.969 | 68 | 299 | ||
17 | A" | 1271 | 1269 | 0.999 | 68 | 300 | ||
18 | A" | 1045 | 1049 | 1.004 | 68 | 301 | ||
19 | A" | 788 | 745 | 0.945 | 68 | 302 |
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40 | ![]() |
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20 | ![]() |
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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 |