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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 | ||
0.956 ± 0.017 | 119 | 661 | cccbdb |
Formula | Name | Mode | Symmetry | Frequency | Count | |||
---|---|---|---|---|---|---|---|---|
Theory | Experiment | ratio | molecules | vibrations | ||||
H2 | Hydrogen diatomic | 1 | Σg | 4403 | 4161 | 0.945 | 1 | 1 |
LiH | Lithium Hydride | 1 | Σ | 1386 | 1360 | 0.981 | 2 | 2 |
Li2 | Lithium diatomic | 1 | Σg | 345 | 346 | 1.004 | 3 | 3 |
NaH | sodium hydride | 1 | Σ | 1129 | 1133 | 1.004 | 4 | 4 |
Na2 | Sodium diatomic | 1 | Σg | 151 | 158 | 1.041 | 5 | 5 |
BeH | beryllium monohydride | 1 | Σ | 2043 | 1987 | 0.972 | 6 | 6 |
BH | Boron monohydride | 1 | Σ | 2359 | 2269 | 0.962 | 7 | 7 |
C2 | Carbon diatomic | 1 | Σg | 1877 | 1827 | 0.973 | 8 | 8 |
SiH | Silylidyne | 1 | Σ | 2042 | 1971 | 0.965 | 9 | 9 |
CN | Cyano radical | 1 | Σ | 2155 | 2042 | 0.948 | 10 | 10 |
N2 | Nitrogen diatomic | 1 | Σg | 2391 | 2330 | 0.975 | 11 | 11 |
PN | Phosphorus mononitride | 1 | Σ | 1384 | 1323 | 0.956 | 12 | 12 |
P2 | Phosphorus diatomic | 1 | Σg | 806 | 775 | 0.961 | 13 | 13 |
OH | Hydroxyl radical | 1 | Σ | 3756 | 3570 | 0.950 | 14 | 14 |
LiO | lithium oxide | 1 | Σ | 801 | 799 | 0.997 | 15 | 15 |
BeO | beryllium oxide | 1 | Σ | 1549 | 1435 | 0.926 | 16 | 16 |
CO | Carbon monoxide | 1 | Σ | 2215 | 2143 | 0.968 | 17 | 17 |
NaO | sodium monoxide | 1 | Σ | 480 | 18 | 18 | ||
SiO | Silicon monoxide | 1 | Σ | 1270 | 1230 | 0.969 | 19 | 19 |
HS | Mercapto radical | 1 | Σ | 2710 | 2599 | 0.959 | 20 | 20 |
CS | carbon monosulfide | 1 | Σ | 1323 | 1272 | 0.961 | 21 | 21 |
SO | Sulfur monoxide | 1 | Σ | 1182 | 1138 | 0.963 | 22 | 22 |
SiS | silicon monosulfide | 1 | Σ | 765 | 744 | 0.974 | 23 | 23 |
HF | Hydrogen fluoride | 1 | Σ | 4170 | 3961 | 0.950 | 24 | 24 |
LiF | lithium fluoride | 1 | Σ | 895 | 896 | 1.001 | 25 | 25 |
CF | Fluoromethylidyne | 1 | Σ | 1327 | 1286 | 0.969 | 26 | 26 |
F2 | Fluorine diatomic | 1 | Σg | 1011 | 894 | 0.884 | 27 | 27 |
NaF | sodium fluoride | 1 | Σ | 538 | 529 | 0.983 | 28 | 28 |
AlF | Aluminum monofluoride | 1 | Σ | 787 | 793 | 1.008 | 29 | 29 |
SF | Monosulfur monofluoride | 1 | Σ | 850 | 829 | 0.975 | 30 | 30 |
HCl | Hydrogen chloride | 1 | Σ | 3011 | 2886 | 0.959 | 31 | 31 |
LiCl | lithium chloride | 1 | Σ | 631 | 634 | 1.004 | 32 | 32 |
ClF | Chlorine monofluoride | 1 | Σ | 807 | 773 | 0.959 | 33 | 33 |
NaCl | Sodium Chloride | 1 | Σ | 349 | 361 | 1.035 | 34 | 34 |
AlCl | Aluminum monochloride | 1 | Σ | 475 | 478 | 1.006 | 35 | 35 |
SCl | sulfur monochloride | 1 | Σ | 572 | 577 | 1.008 | 36 | 36 |
Cl2 | Chlorine diatomic | 1 | Σg | 560 | 554 | 0.990 | 37 | 37 |
BeH2 | beryllium dihydride | 2 | Σu | 2234 | 2159 | 0.966 | 38 | 38 |
3 | Πu | 710 | 698 | 0.983 | 38 | 39 | ||
SiH2 | silicon dihydride | 1 | A1 | 2070 | 1996 | 0.964 | 39 | 40 |
2 | A1 | 1027 | 999 | 0.973 | 39 | 41 | ||
3 | B2 | 2068 | 1993 | 0.964 | 39 | 42 | ||
HCN | Hydrogen cyanide | 1 | Σ | 3462 | 3312 | 0.957 | 40 | 43 |
2 | Σ | 2173 | 2089 | 0.961 | 40 | 44 | ||
3 | Π | 745 | 712 | 0.956 | 40 | 45 | ||
HNC | hydrogen isocyanide | 1 | Σ | 3849 | 3653 | 0.949 | 41 | 46 |
2 | Σ | 2103 | 2029 | 0.965 | 41 | 47 | ||
3 | Π | 473 | 477 | 1.009 | 41 | 48 | ||
HCP | HCP | 1 | Σ | 3366 | 3217 | 0.956 | 42 | 49 |
2 | Σ | 1328 | 1278 | 0.962 | 42 | 50 | ||
3 | Π | 699 | 674 | 0.964 | 42 | 51 | ||
H2O | Water | 1 | A1 | 3853 | 3657 | 0.949 | 43 | 52 |
2 | A1 | 1660 | 1595 | 0.961 | 43 | 53 | ||
3 | B2 | 3959 | 3756 | 0.949 | 43 | 54 | ||
HO2 | Hydroperoxy radical | 1 | A' | 3698 | 3436 | 0.929 | 44 | 55 |
2 | A' | 1461 | 1392 | 0.953 | 44 | 56 | ||
3 | A' | 1164 | 1098 | 0.943 | 44 | 57 | ||
CO2 | Carbon dioxide | 1 | Σg | 1385 | 1333 | 0.962 | 45 | 58 |
2 | Σu | 2414 | 2349 | 0.973 | 45 | 59 | ||
3 | Πu | 689 | 667 | 0.969 | 45 | 60 | ||
N2O | Nitrous oxide | 1 | Σ | 2351 | 2224 | 0.946 | 46 | 61 |
2 | Σ | 1317 | 1285 | 0.976 | 46 | 62 | ||
3 | Π | 622 | 589 | 0.947 | 46 | 63 | ||
H2S | Hydrogen sulfide | 1 | A1 | 2733 | 2615 | 0.957 | 47 | 64 |
2 | A1 | 1221 | 1183 | 0.969 | 47 | 65 | ||
3 | B2 | 2748 | 2626 | 0.955 | 47 | 66 | ||
HBS | hydrogen boron sulfide | 1 | Σ | 2842 | 2736 | 0.963 | 48 | 67 |
2 | Σ | 1201 | 1172 | 0.976 | 48 | 68 | ||
OCS | Carbonyl sulfide | 1 | Σ | 2132 | 2062 | 0.967 | 49 | 69 |
2 | Σ | 877 | 859 | 0.980 | 49 | 70 | ||
3 | Π | 538 | 520 | 0.966 | 49 | 71 | ||
SO2 | Sulfur dioxide | 1 | A1 | 1206 | 1151 | 0.955 | 50 | 72 |
2 | A1 | 530 | 518 | 0.977 | 50 | 73 | ||
3 | B2 | 1399 | 1362 | 0.974 | 50 | 74 | ||
SSO | Disulfur monoxide | 1 | A' | 1219 | 1166 | 0.957 | 51 | 75 |
2 | A' | 710 | 679 | 0.957 | 51 | 76 | ||
3 | A' | 388 | 380 | 0.978 | 51 | 77 | ||
HOF | Hypofluorous acid | 1 | A' | 3794 | 3578 | 0.943 | 52 | 78 |
2 | A' | 1433 | 1362 | 0.951 | 52 | 79 | ||
3 | A' | 989 | 893 | 0.903 | 52 | 80 | ||
FNO | Nitrosyl fluoride | 1 | A' | 1904 | 1844 | 0.968 | 53 | 81 |
2 | A' | 815 | 766 | 0.940 | 53 | 82 | ||
3 | A' | 572 | 520 | 0.909 | 53 | 83 | ||
F2O | Difluorine monoxide | 1 | A1 | 1013 | 928 | 0.916 | 54 | 84 |
2 | A1 | 496 | 461 | 0.929 | 54 | 85 | ||
3 | B2 | 957 | 831 | 0.868 | 54 | 86 | ||
HOCl | hypochlorous acid | 1 | A' | 3832 | 3609 | 0.942 | 55 | 87 |
2 | A' | 1287 | 1239 | 0.963 | 55 | 88 | ||
3 | A' | 762 | 724 | 0.951 | 55 | 89 | ||
ClCN | chlorocyanogen | 1 | Σ | 2314 | 2216 | 0.958 | 56 | 90 |
2 | Σ | 750 | 744 | 0.992 | 56 | 91 | ||
3 | Π | 394 | 378 | 0.961 | 56 | 92 | ||
ClNO | Nitrosyl chloride | 1 | A' | 1862 | 1800 | 0.967 | 57 | 93 |
2 | A' | 631 | 596 | 0.944 | 57 | 94 | ||
3 | A' | 354 | 332 | 0.937 | 57 | 95 | ||
OClO | Chlorine dioxide | 1 | A1 | 986 | 946 | 0.959 | 58 | 96 |
2 | A1 | 460 | 448 | 0.972 | 58 | 97 | ||
3 | B2 | 1142 | 1110 | 0.972 | 58 | 98 | ||
BH3 | boron trihydride | 2 | A2" | 1163 | 1148 | 0.987 | 59 | 99 |
3 | E' | 2702 | 2602 | 0.963 | 59 | 100 | ||
4 | E' | 1224 | 1197 | 0.978 | 59 | 101 | ||
AlH3 | aluminum trihydride | 1 | A1' | 1939 | 1900 | 0.980 | 60 | 102 |
2 | A2" | 718 | 698 | 0.972 | 60 | 103 | ||
3 | E' | 1943 | 1883 | 0.969 | 60 | 104 | ||
4 | E' | 793 | 783 | 0.988 | 60 | 105 | ||
C2H2 | Acetylene | 1 | Σg | 3527 | 3374 | 0.957 | 61 | 106 |
2 | Σg | 2043 | 1974 | 0.966 | 61 | 107 | ||
3 | Σu | 3414 | 3289 | 0.963 | 61 | 108 | ||
4 | Πg | 636 | 612 | 0.963 | 61 | 109 | ||
5 | Πu | 771 | 730 | 0.947 | 61 | 110 | ||
SiH3 | Silyl radical | 1 | A1 | 2223 | 2136 | 0.961 | 62 | 111 |
2 | A1 | 776 | 728 | 0.938 | 62 | 112 | ||
3 | E | 2257 | 2185 | 0.968 | 62 | 113 | ||
4 | E | 942 | 922 | 0.979 | 62 | 114 | ||
NH3 | Ammonia | 1 | A1 | 3497 | 3337 | 0.954 | 63 | 115 |
2 | A1 | 1067 | 950 | 0.890 | 63 | 116 | ||
3 | E | 3624 | 3444 | 0.950 | 63 | 117 | ||
4 | E | 1687 | 1627 | 0.965 | 63 | 118 | ||
PH3 | Phosphine | 1 | A1 | 2425 | 2323 | 0.958 | 64 | 119 |
2 | A1 | 1022 | 992 | 0.970 | 64 | 120 | ||
3 | E | 2433 | 2328 | 0.957 | 64 | 121 | ||
4 | E | 1152 | 1118 | 0.970 | 64 | 122 | ||
H2CO | Formaldehyde | 1 | A1 | 2961 | 2782 | 0.940 | 65 | 123 |
2 | A1 | 1817 | 1746 | 0.961 | 65 | 124 | ||
3 | A1 | 1549 | 1500 | 0.969 | 65 | 125 | ||
4 | B1 | 1206 | 1167 | 0.968 | 65 | 126 | ||
5 | B2 | 3029 | 2843 | 0.939 | 65 | 127 | ||
6 | B2 | 1279 | 1249 | 0.977 | 65 | 128 | ||
H2O2 | Hydrogen peroxide | 1 | A | 3826 | 3599 | 0.941 | 66 | 129 |
2 | A | 1458 | 1402 | 0.961 | 66 | 130 | ||
3 | A | 964 | 877 | 0.910 | 66 | 131 | ||
4 | A | 396 | 371 | 0.937 | 66 | 132 | ||
5 | B | 3826 | 3608 | 0.943 | 66 | 133 | ||
6 | B | 1353 | 1266 | 0.936 | 66 | 134 | ||
H2CS | Thioformaldehyde | 1 | A1 | 3108 | 2971 | 0.956 | 67 | 135 |
2 | A1 | 1513 | 1456 | 0.962 | 67 | 136 | ||
3 | A1 | 1098 | 1059 | 0.964 | 67 | 137 | ||
4 | B1 | 1022 | 990 | 0.969 | 67 | 138 | ||
5 | B2 | 3195 | 3025 | 0.947 | 67 | 139 | ||
6 | B2 | 1010 | 991 | 0.981 | 67 | 140 | ||
CF2O | Carbonic difluoride | 1 | A1 | 2004 | 1928 | 0.962 | 68 | 141 |
2 | A1 | 1001 | 965 | 0.964 | 68 | 142 | ||
3 | A1 | 592 | 584 | 0.986 | 68 | 143 | ||
4 | B1 | 799 | 774 | 0.968 | 68 | 144 | ||
5 | B2 | 1307 | 1249 | 0.955 | 68 | 145 | ||
6 | B2 | 634 | 626 | 0.988 | 68 | 146 | ||
BF3 | Borane, trifluoro- | 1 | A1' | 903 | 888 | 0.983 | 69 | 147 |
2 | A2" | 701 | 691 | 0.986 | 69 | 148 | ||
3 | E' | 1491 | 1449 | 0.972 | 69 | 149 | ||
4 | E' | 482 | 480 | 0.995 | 69 | 150 | ||
NF3 | Nitrogen trifluoride | 1 | A1 | 1089 | 1032 | 0.947 | 70 | 151 |
2 | A1 | 683 | 647 | 0.948 | 70 | 152 | ||
3 | E | 996 | 907 | 0.910 | 70 | 153 | ||
4 | E | 520 | 492 | 0.946 | 70 | 154 | ||
AlF3 | Aluminum trifluoride | 1 | A1' | 698 | 690 | 0.989 | 71 | 155 |
2 | A2" | 301 | 297 | 0.987 | 71 | 156 | ||
3 | E' | 962 | 935 | 0.972 | 71 | 157 | ||
4 | E' | 246 | 263 | 1.069 | 71 | 158 | ||
PF3 | Phosphorus trifluoride | 1 | A1 | 911 | 892 | 0.980 | 72 | 159 |
2 | A1 | 489 | 487 | 0.995 | 72 | 160 | ||
3 | E | 877 | 860 | 0.981 | 72 | 161 | ||
4 | E | 348 | 344 | 0.987 | 72 | 162 | ||
ClNO2 | Nitryl chloride | 1 | A1 | 1359 | 1267 | 0.933 | 73 | 163 |
2 | A1 | 835 | 793 | 0.950 | 73 | 164 | ||
3 | A1 | 432 | 364 | 0.842 | 73 | 165 | ||
4 | B1 | 696 | 652 | 0.936 | 73 | 166 | ||
5 | B2 | 1756 | 1684 | 0.959 | 73 | 167 | ||
6 | B2 | 435 | 408 | 0.938 | 73 | 168 | ||
ClF3 | Chlorine trifluoride | 1 | A1 | 811 | 752 | 0.928 | 74 | 169 |
2 | A1 | 566 | 529 | 0.935 | 74 | 170 | ||
3 | A1 | 347 | 328 | 0.946 | 74 | 171 | ||
4 | B1 | 336 | 328 | 0.976 | 74 | 172 | ||
5 | B2 | 724 | 702 | 0.970 | 74 | 173 | ||
6 | B2 | 454 | 442 | 0.974 | 74 | 174 | ||
CCl2O | Phosgene | 1 | A1 | 1887 | 1827 | 0.968 | 75 | 175 |
2 | A1 | 586 | 567 | 0.967 | 75 | 176 | ||
3 | A1 | 307 | 285 | 0.929 | 75 | 177 | ||
4 | B1 | 597 | 580 | 0.972 | 75 | 178 | ||
5 | B2 | 886 | 849 | 0.958 | 75 | 179 | ||
6 | B2 | 456 | 440 | 0.965 | 75 | 180 | ||
PCl3 | Phosphorus trichloride | 1 | A1 | 523 | 504 | 0.964 | 76 | 181 |
2 | A1 | 262 | 252 | 0.962 | 76 | 182 | ||
3 | E | 515 | 482 | 0.936 | 76 | 183 | ||
4 | E | 189 | 198 | 1.046 | 76 | 184 | ||
CH4 | Methane | 1 | A1 | 3045 | 2917 | 0.958 | 77 | 185 |
2 | E | 1584 | 1534 | 0.968 | 77 | 186 | ||
3 | T2 | 3161 | 3019 | 0.955 | 77 | 187 | ||
4 | T2 | 1363 | 1306 | 0.958 | 77 | 188 | ||
CH2NH | Methanimine | 1 | A' | 3478 | 3263 | 0.938 | 78 | 189 |
2 | A' | 3173 | 3024 | 0.953 | 78 | 190 | ||
3 | A' | 3076 | 2914 | 0.948 | 78 | 191 | ||
4 | A' | 1710 | 1638 | 0.958 | 78 | 192 | ||
5 | A' | 1497 | 1452 | 0.970 | 78 | 193 | ||
6 | A' | 1390 | 1344 | 0.967 | 78 | 194 | ||
7 | A' | 1081 | 1058 | 0.979 | 78 | 195 | ||
8 | A" | 1167 | 1127 | 0.966 | 78 | 196 | ||
9 | A" | 1097 | 1061 | 0.967 | 78 | 197 | ||
NH2OH | hydroxylamine | 1 | A' | 3874 | 3650 | 0.942 | 79 | 198 |
2 | A' | 3484 | 3294 | 0.945 | 79 | 199 | ||
3 | A' | 1688 | 1605 | 0.951 | 79 | 200 | ||
4 | A' | 1424 | 1353 | 0.950 | 79 | 201 | ||
5 | A' | 1167 | 1115 | 0.955 | 79 | 202 | ||
6 | A' | 968 | 895 | 0.925 | 79 | 203 | ||
7 | A" | 3567 | 3359 | 0.942 | 79 | 204 | ||
8 | A" | 1352 | 1295 | 0.958 | 79 | 205 | ||
9 | A" | 418 | 386 | 0.923 | 79 | 206 | ||
CH2CO | Ketene | 1 | A1 | 3217 | 3070 | 0.954 | 80 | 207 |
2 | A1 | 2223 | 2152 | 0.968 | 80 | 208 | ||
3 | A1 | 1435 | 1388 | 0.967 | 80 | 209 | ||
4 | A1 | 1173 | 1118 | 0.953 | 80 | 210 | ||
5 | B1 | 610 | 588 | 0.964 | 80 | 211 | ||
6 | B1 | 543 | 528 | 0.973 | 80 | 212 | ||
7 | B2 | 3322 | 3166 | 0.953 | 80 | 213 | ||
8 | B2 | 1008 | 977 | 0.969 | 80 | 214 | ||
9 | B2 | 448 | 433 | 0.967 | 80 | 215 | ||
HCOOH | Formic acid | 1 | A' | 3797 | 3570 | 0.940 | 81 | 216 |
2 | A' | 3116 | 2943 | 0.945 | 81 | 217 | ||
3 | A' | 1849 | 1770 | 0.957 | 81 | 218 | ||
4 | A' | 1427 | 1387 | 0.972 | 81 | 219 | ||
5 | A' | 1334 | 1229 | 0.921 | 81 | 220 | ||
6 | A' | 1159 | 1105 | 0.953 | 81 | 221 | ||
7 | A' | 640 | 625 | 0.976 | 81 | 222 | ||
8 | A" | 1077 | 1033 | 0.959 | 81 | 223 | ||
9 | A" | 666 | 638 | 0.958 | 81 | 224 | ||
HNO3 | Nitric acid | 1 | A' | 3779 | 3550 | 0.939 | 82 | 225 |
2 | A' | 1794 | 1708 | 0.952 | 82 | 226 | ||
3 | A' | 1399 | 1331 | 0.952 | 82 | 227 | ||
4 | A' | 1369 | 1325 | 0.968 | 82 | 228 | ||
5 | A' | 962 | 879 | 0.914 | 82 | 229 | ||
6 | A' | 696 | 647 | 0.929 | 82 | 230 | ||
7 | A' | 611 | 579 | 0.948 | 82 | 231 | ||
8 | A" | 811 | 762 | 0.940 | 82 | 232 | ||
9 | A" | 485 | 456 | 0.939 | 82 | 233 | ||
CH3F | Methyl fluoride | 1 | A1 | 3053 | 2930 | 0.960 | 83 | 234 |
2 | A1 | 1514 | 1464 | 0.967 | 83 | 235 | ||
3 | A1 | 1079 | 1049 | 0.973 | 83 | 236 | ||
4 | E | 3138 | 3006 | 0.958 | 83 | 237 | ||
5 | E | 1528 | 1467 | 0.960 | 83 | 238 | ||
6 | E | 1214 | 1182 | 0.973 | 83 | 239 | ||
CH2F2 | Methane, difluoro- | 1 | A1 | 3100 | 2948 | 0.951 | 84 | 240 |
2 | A1 | 1570 | 1508 | 0.961 | 84 | 241 | ||
3 | A1 | 1149 | 1111 | 0.967 | 84 | 242 | ||
4 | A1 | 539 | 529 | 0.980 | 84 | 243 | ||
5 | A2 | 1297 | 1262 | 0.973 | 84 | 244 | ||
6 | B1 | 3172 | 3014 | 0.950 | 84 | 245 | ||
7 | B1 | 1207 | 1178 | 0.976 | 84 | 246 | ||
8 | B2 | 1486 | 1435 | 0.965 | 84 | 247 | ||
9 | B2 | 1143 | 1090 | 0.954 | 84 | 248 | ||
CHF3 | Methane, trifluoro- | 1 | A1 | 3182 | 3036 | 0.954 | 85 | 249 |
2 | A1 | 1173 | 1117 | 0.952 | 85 | 250 | ||
3 | A1 | 714 | 700 | 0.980 | 85 | 251 | ||
4 | E | 1430 | 1372 | 0.959 | 85 | 252 | ||
5 | E | 1210 | 1152 | 0.952 | 85 | 253 | ||
6 | E | 518 | 507 | 0.979 | 85 | 254 | ||
SiH3F | monofluorosilane | 1 | A1 | 2281 | 2206 | 0.967 | 86 | 255 |
2 | A1 | 1003 | 990 | 0.987 | 86 | 256 | ||
3 | A1 | 881 | 872 | 0.990 | 86 | 257 | ||
4 | E | 2286 | 2196 | 0.961 | 86 | 258 | ||
5 | E | 980 | 956 | 0.976 | 86 | 259 | ||
6 | E | 739 | 728 | 0.985 | 86 | 260 | ||
CH3Cl | Methyl chloride | 1 | A1 | 3096 | 2966 | 0.958 | 87 | 261 |
2 | A1 | 1409 | 1355 | 0.962 | 87 | 262 | ||
3 | A1 | 755 | 732 | 0.970 | 87 | 263 | ||
4 | E | 3196 | 3042 | 0.952 | 87 | 264 | ||
5 | E | 1513 | 1455 | 0.961 | 87 | 265 | ||
6 | E | 1052 | 1015 | 0.965 | 87 | 266 | ||
SiH3Cl | chlorosilane | 1 | A1 | 2278 | 2201 | 0.966 | 88 | 267 |
2 | A1 | 961 | 949 | 0.988 | 88 | 268 | ||
3 | A1 | 551 | 551 | 1.000 | 88 | 269 | ||
4 | E | 2289 | 2195 | 0.959 | 88 | 270 | ||
5 | E | 968 | 954 | 0.986 | 88 | 271 | ||
6 | E | 668 | 664 | 0.994 | 88 | 272 | ||
SiH2Cl2 | dichlorosilane | 1 | A1 | 2306 | 2224 | 0.965 | 89 | 273 |
2 | A1 | 967 | 954 | 0.987 | 89 | 274 | ||
3 | A1 | 531 | 527 | 0.992 | 89 | 275 | ||
4 | A1 | 187 | 188 | 1.004 | 89 | 276 | ||
5 | A2 | 719 | 710 | 0.987 | 89 | 277 | ||
6 | B1 | 2320 | 2237 | 0.964 | 89 | 278 | ||
7 | B1 | 605 | 602 | 0.995 | 89 | 279 | ||
8 | B2 | 886 | 876 | 0.989 | 89 | 280 | ||
9 | B2 | 594 | 590 | 0.994 | 89 | 281 | ||
CHCl3 | Chloroform | 1 | A1 | 3208 | 3034 | 0.946 | 90 | 282 |
2 | A1 | 691 | 680 | 0.984 | 90 | 283 | ||
3 | A1 | 376 | 366 | 0.975 | 90 | 284 | ||
4 | E | 1275 | 1220 | 0.956 | 90 | 285 | ||
5 | E | 813 | 774 | 0.953 | 90 | 286 | ||
6 | E | 267 | 260 | 0.974 | 90 | 287 | ||
CF2Cl2 | difluorodichloromethane | 1 | A1 | 1156 | 1101 | 0.952 | 91 | 288 |
2 | A1 | 684 | 667 | 0.975 | 91 | 289 | ||
3 | A1 | 468 | 458 | 0.978 | 91 | 290 | ||
4 | A1 | 267 | 262 | 0.980 | 91 | 291 | ||
5 | A2 | 328 | 322 | 0.981 | 91 | 292 | ||
6 | B1 | 945 | 902 | 0.954 | 91 | 293 | ||
7 | B1 | 447 | 437 | 0.978 | 91 | 294 | ||
8 | B2 | 1221 | 1159 | 0.949 | 91 | 295 | ||
9 | B2 | 444 | 446 | 1.005 | 91 | 296 | ||
SiHCl3 | Trichlorosilane | 1 | A1 | 2344 | 2261 | 0.965 | 92 | 297 |
2 | A1 | 499 | 499 | 1.000 | 92 | 298 | ||
3 | A1 | 252 | 254 | 1.009 | 92 | 299 | ||
4 | E | 814 | 811 | 0.997 | 92 | 300 | ||
5 | E | 607 | 600 | 0.988 | 92 | 301 | ||
6 | E | 174 | 176 | 1.011 | 92 | 302 | ||
C2H4 | Ethylene | 1 | Ag | 3175 | 3026 | 0.953 | 93 | 303 |
2 | Ag | 1698 | 1623 | 0.956 | 93 | 304 | ||
3 | Ag | 1384 | 1342 | 0.970 | 93 | 305 | ||
4 | Au | 1038 | 1023 | 0.986 | 93 | 306 | ||
5 | B1u | 3154 | 2989 | 0.947 | 93 | 307 | ||
6 | B1u | 1488 | 1444 | 0.970 | 93 | 308 | ||
7 | B2g | 959 | 940 | 0.980 | 93 | 309 | ||
8 | B2u | 3261 | 3105 | 0.952 | 93 | 310 | ||
9 | B2u | 829 | 826 | 0.996 | 93 | 311 | ||
10 | B3g | 3233 | 3086 | 0.954 | 93 | 312 | ||
11 | B3g | 1254 | 1217 | 0.971 | 93 | 313 | ||
12 | B3u | 980 | 949 | 0.969 | 93 | 314 | ||
C4H2 | Diacetylene | 6 | Πg | 659 | 627 | 0.951 | 94 | 315 |
7 | Πg | 479 | 482 | 1.007 | 94 | 316 | ||
8 | Πu | 668 | 630 | 0.944 | 94 | 317 | ||
9 | Πu | 222 | 231 | 1.040 | 94 | 318 | ||
N2H4 | Hydrazine | 1 | A | 3598 | 3398 | 0.945 | 95 | 319 |
2 | A | 3506 | 3329 | 0.950 | 95 | 320 | ||
3 | A | 1707 | 1642 | 0.962 | 95 | 321 | ||
4 | A | 1355 | 1275 | 0.941 | 95 | 322 | ||
5 | A | 1134 | 1076 | 0.949 | 95 | 323 | ||
6 | A | 863 | 780 | 0.904 | 95 | 324 | ||
7 | A | 425 | 377 | 0.887 | 95 | 325 | ||
8 | B | 3602 | 3350 | 0.930 | 95 | 326 | ||
9 | B | 3496 | 3314 | 0.948 | 95 | 327 | ||
10 | B | 1694 | 1628 | 0.961 | 95 | 328 | ||
11 | B | 1321 | 1275 | 0.965 | 95 | 329 | ||
12 | B | 1024 | 966 | 0.944 | 95 | 330 | ||
CH3CN | Acetonitrile | 1 | A1 | 3083 | 2954 | 0.958 | 96 | 331 |
2 | A1 | 2361 | 2267 | 0.960 | 96 | 332 | ||
3 | A1 | 1435 | 1385 | 0.965 | 96 | 333 | ||
4 | A1 | 934 | 920 | 0.985 | 96 | 334 | ||
5 | E | 3165 | 3009 | 0.951 | 96 | 335 | ||
6 | E | 1505 | 1448 | 0.962 | 96 | 336 | ||
7 | E | 1078 | 1041 | 0.966 | 96 | 337 | ||
8 | E | 372 | 362 | 0.973 | 96 | 338 | ||
CH3OH | Methyl alcohol | 1 | A' | 3888 | 3681 | 0.947 | 97 | 339 |
2 | A' | 3145 | 3000 | 0.954 | 97 | 340 | ||
3 | A' | 3032 | 2844 | 0.938 | 97 | 341 | ||
4 | A' | 1536 | 1477 | 0.961 | 97 | 342 | ||
5 | A' | 1502 | 1455 | 0.969 | 97 | 343 | ||
6 | A' | 1394 | 1345 | 0.965 | 97 | 344 | ||
7 | A' | 1099 | 1060 | 0.964 | 97 | 345 | ||
8 | A' | 1074 | 1033 | 0.962 | 97 | 346 | ||
9 | A" | 3088 | 2960 | 0.959 | 97 | 347 | ||
10 | A" | 1526 | 1477 | 0.968 | 97 | 348 | ||
11 | A" | 1191 | 1165 | 0.978 | 97 | 349 | ||
12 | A" | 294 | 200 | 0.680 | 97 | 350 | ||
CHONH2 | formamide | 1 | A' | 3776 | 3564 | 0.944 | 98 | 351 |
2 | A' | 3635 | 3439 | 0.946 | 98 | 352 | ||
3 | A' | 3021 | 2854 | 0.945 | 98 | 353 | ||
4 | A' | 1823 | 1754 | 0.962 | 98 | 354 | ||
5 | A' | 1642 | 1577 | 0.960 | 98 | 355 | ||
6 | A' | 1439 | 1390 | 0.966 | 98 | 356 | ||
7 | A' | 1288 | 1258 | 0.977 | 98 | 357 | ||
8 | A' | 1068 | 1046 | 0.979 | 98 | 358 | ||
9 | A' | 572 | 581 | 1.016 | 98 | 359 | ||
10 | A" | 1069 | 1021 | 0.955 | 98 | 360 | ||
11 | A" | 632 | 603 | 0.954 | 98 | 361 | ||
12 | A" | 66i | 289 | -4.407 | 98 | 362 | ||
CH3SH | Methanethiol | 1 | A' | 3167 | 3000 | 0.947 | 99 | 363 |
2 | A' | 3078 | 2931 | 0.952 | 99 | 364 | ||
3 | A' | 2727 | 2597 | 0.952 | 99 | 365 | ||
4 | A' | 1517 | 1475 | 0.973 | 99 | 366 | ||
5 | A' | 1384 | 1335 | 0.964 | 99 | 367 | ||
6 | A' | 1114 | 1074 | 0.964 | 99 | 368 | ||
7 | A' | 810 | 803 | 0.991 | 99 | 369 | ||
8 | A' | 731 | 708 | 0.968 | 99 | 370 | ||
9 | A" | 3169 | 3000 | 0.947 | 99 | 371 | ||
10 | A" | 1503 | 1430 | 0.952 | 99 | 372 | ||
11 | A" | 993 | 976 | 0.983 | 99 | 373 | ||
CH2CHF | Ethene, fluoro- | 1 | A' | 3295 | 3115 | 0.945 | 100 | 374 |
2 | A' | 3241 | 3080 | 0.950 | 100 | 375 | ||
3 | A' | 3194 | 3052 | 0.955 | 100 | 376 | ||
4 | A' | 1730 | 1654 | 0.956 | 100 | 377 | ||
5 | A' | 1431 | 1380 | 0.964 | 100 | 378 | ||
6 | A' | 1345 | 1306 | 0.971 | 100 | 379 | ||
7 | A' | 1191 | 1156 | 0.971 | 100 | 380 | ||
8 | A' | 953 | 929 | 0.975 | 100 | 381 | ||
9 | A' | 486 | 483 | 0.994 | 100 | 382 | ||
10 | A" | 967 | 940 | 0.972 | 100 | 383 | ||
11 | A" | 897 | 863 | 0.962 | 100 | 384 | ||
12 | A" | 732 | 711 | 0.971 | 100 | 385 | ||
CH2CF2 | Ethene, 1,1-difluoro- | 1 | A1 | 3224 | 3070 | 0.952 | 101 | 386 |
2 | A1 | 1807 | 1728 | 0.956 | 101 | 387 | ||
3 | A1 | 1431 | 1360 | 0.951 | 101 | 388 | ||
4 | A1 | 954 | 926 | 0.971 | 101 | 389 | ||
5 | A1 | 558 | 550 | 0.985 | 101 | 390 | ||
6 | A2 | 732 | 714 | 0.976 | 101 | 391 | ||
7 | B1 | 843 | 803 | 0.953 | 101 | 392 | ||
8 | B1 | 634 | 611 | 0.964 | 101 | 393 | ||
9 | B2 | 3329 | 3154 | 0.947 | 101 | 394 | ||
10 | B2 | 1359 | 1302 | 0.958 | 101 | 395 | ||
11 | B2 | 982 | 955 | 0.972 | 101 | 396 | ||
12 | B2 | 441 | 438 | 0.993 | 101 | 397 | ||
C2H3Cl | Ethene, chloro- | 1 | A' | 3277 | 3121 | 0.952 | 102 | 398 |
2 | A' | 3241 | 3086 | 0.952 | 102 | 399 | ||
3 | A' | 3180 | 3030 | 0.953 | 102 | 400 | ||
4 | A' | 1683 | 1608 | 0.956 | 102 | 401 | ||
5 | A' | 1421 | 1368 | 0.963 | 102 | 402 | ||
6 | A' | 1316 | 1279 | 0.972 | 102 | 403 | ||
7 | A' | 1053 | 1030 | 0.978 | 102 | 404 | ||
8 | A' | 733 | 720 | 0.982 | 102 | 405 | ||
9 | A' | 397 | 395 | 0.994 | 102 | 406 | ||
10 | A" | 980 | 941 | 0.960 | 102 | 407 | ||
11 | A" | 932 | 896 | 0.961 | 102 | 408 | ||
12 | A" | 634 | 620 | 0.978 | 102 | 409 | ||
CH2CCl2 | Ethene, 1,1-dichloro- | 1 | A1 | 3196 | 3035 | 0.950 | 103 | 410 |
2 | A1 | 1689 | 1627 | 0.963 | 103 | 411 | ||
3 | A1 | 1419 | 1400 | 0.986 | 103 | 412 | ||
4 | A1 | 615 | 603 | 0.981 | 103 | 413 | ||
5 | A1 | 300 | 299 | 0.995 | 103 | 414 | ||
6 | A2 | 709 | 686 | 0.968 | 103 | 415 | ||
7 | B1 | 910 | 875 | 0.961 | 103 | 416 | ||
8 | B1 | 467 | 460 | 0.986 | 103 | 417 | ||
9 | B2 | 3295 | 3130 | 0.950 | 103 | 418 | ||
10 | B2 | 1126 | 1095 | 0.972 | 103 | 419 | ||
11 | B2 | 816 | 800 | 0.981 | 103 | 420 | ||
12 | B2 | 374 | 372 | 0.993 | 103 | 421 | ||
CHClCHCl | Ethene, 1,2-dichloro-, (Z)- | 1 | A1 | 3258 | 3077 | 0.944 | 104 | 422 |
2 | A1 | 1681 | 1587 | 0.944 | 104 | 423 | ||
3 | A1 | 1219 | 1179 | 0.967 | 104 | 424 | ||
4 | A1 | 734 | 711 | 0.969 | 104 | 425 | ||
5 | A1 | 169 | 173 | 1.024 | 104 | 426 | ||
6 | A2 | 908 | 876 | 0.965 | 104 | 427 | ||
7 | A2 | 416 | 406 | 0.977 | 104 | 428 | ||
8 | B1 | 720 | 697 | 0.968 | 104 | 429 | ||
9 | B2 | 3234 | 3072 | 0.950 | 104 | 430 | ||
10 | B2 | 1336 | 1303 | 0.976 | 104 | 431 | ||
11 | B2 | 875 | 857 | 0.980 | 104 | 432 | ||
12 | B2 | 578 | 571 | 0.987 | 104 | 433 | ||
B2Cl4 | Diboron tetrachloride | 1 | A1 | 1160 | 1122 | 0.967 | 105 | 434 |
2 | A1 | 409 | 401 | 0.982 | 105 | 435 | ||
3 | A1 | 173 | 176 | 1.018 | 105 | 436 | ||
5 | B2 | 741 | 728 | 0.982 | 105 | 437 | ||
6 | B2 | 292 | 289 | 0.989 | 105 | 438 | ||
7 | E | 940 | 917 | 0.976 | 105 | 439 | ||
8 | E | 501 | 512 | 1.023 | 105 | 440 | ||
9 | E | 97 | 104 | 1.071 | 105 | 441 | ||
CH3NH2 | methyl amine | 1 | A' | 3530 | 3361 | 0.952 | 106 | 442 |
2 | A' | 3095 | 2961 | 0.957 | 106 | 443 | ||
3 | A' | 3017 | 2820 | 0.935 | 106 | 444 | ||
4 | A' | 1681 | 1623 | 0.966 | 106 | 445 | ||
5 | A' | 1524 | 1473 | 0.967 | 106 | 446 | ||
6 | A' | 1477 | 1430 | 0.968 | 106 | 447 | ||
7 | A' | 1190 | 1130 | 0.949 | 106 | 448 | ||
8 | A' | 1078 | 1044 | 0.968 | 106 | 449 | ||
9 | A' | 860 | 780 | 0.906 | 106 | 450 | ||
10 | A" | 3609 | 3427 | 0.949 | 106 | 451 | ||
11 | A" | 3130 | 2985 | 0.954 | 106 | 452 | ||
12 | A" | 1542 | 1485 | 0.963 | 106 | 453 | ||
13 | A" | 1366 | 1335 | 0.977 | 106 | 454 | ||
14 | A" | 982 | 106 | 455 | ||||
15 | A" | 296 | 268 | 0.904 | 106 | 456 | ||
CH3PH2 | Methyl phosphine | 1 | A' | 3156 | 3000 | 0.951 | 107 | 457 |
2 | A' | 3063 | 2938 | 0.959 | 107 | 458 | ||
3 | A' | 2412 | 2297 | 0.952 | 107 | 459 | ||
4 | A' | 1498 | 1450 | 0.968 | 107 | 460 | ||
5 | A' | 1348 | 1238 | 0.918 | 107 | 461 | ||
6 | A' | 1130 | 1086 | 0.961 | 107 | 462 | ||
7 | A' | 1007 | 977 | 0.970 | 107 | 463 | ||
8 | A' | 744 | 740 | 0.994 | 107 | 464 | ||
9 | A' | 694 | 677 | 0.975 | 107 | 465 | ||
10 | A" | 3142 | 2992 | 0.952 | 107 | 466 | ||
11 | A" | 2416 | 2312 | 0.957 | 107 | 467 | ||
12 | A" | 1504 | 1450 | 0.964 | 107 | 468 | ||
13 | A" | 1049 | 1017 | 0.970 | 107 | 469 | ||
15 | A" | 233 | 207 | 0.887 | 107 | 470 | ||
C2H4O | Ethylene oxide | 1 | A1 | 3138 | 3006 | 0.958 | 108 | 471 |
2 | A1 | 1565 | 1467 | 0.937 | 108 | 472 | ||
3 | A1 | 1319 | 1267 | 0.960 | 108 | 473 | ||
4 | A1 | 1177 | 1146 | 0.974 | 108 | 474 | ||
5 | A1 | 916 | 857 | 0.936 | 108 | 475 | ||
6 | A2 | 3215 | 3063 | 0.953 | 108 | 476 | ||
7 | A2 | 1186 | 1050 | 0.885 | 108 | 477 | ||
8 | A2 | 1064 | 1020 | 0.959 | 108 | 478 | ||
9 | B1 | 3230 | 3065 | 0.949 | 108 | 479 | ||
10 | B1 | 1186 | 1146 | 0.966 | 108 | 480 | ||
11 | B1 | 826 | 797 | 0.965 | 108 | 481 | ||
12 | B2 | 3129 | 3006 | 0.961 | 108 | 482 | ||
13 | B2 | 1524 | 1459 | 0.958 | 108 | 483 | ||
14 | B2 | 1183 | 1159 | 0.979 | 108 | 484 | ||
15 | B2 | 875 | 824 | 0.941 | 108 | 485 | ||
CH3ONO | Methyl nitrite | 1 | A' | 3193 | 3037 | 0.951 | 109 | 486 |
2 | A' | 3076 | 2950 | 0.959 | 109 | 487 | ||
3 | A' | 1704 | 1613 | 0.947 | 109 | 488 | ||
4 | A' | 1519 | 1454 | 0.958 | 109 | 489 | ||
5 | A' | 1472 | 1408 | 0.957 | 109 | 490 | ||
6 | A' | 1216 | 1239 | 1.019 | 109 | 491 | ||
7 | A' | 1063 | 991 | 0.932 | 109 | 492 | ||
8 | A' | 891 | 838 | 0.940 | 109 | 493 | ||
9 | A' | 736 | 627 | 0.852 | 109 | 494 | ||
10 | A' | 373 | 346 | 0.929 | 109 | 495 | ||
11 | A" | 3154 | 2991 | 0.948 | 109 | 496 | ||
12 | A" | 1508 | 1438 | 0.954 | 109 | 497 | ||
13 | A" | 1180 | 1143 | 0.969 | 109 | 498 | ||
14 | A" | 352 | 109 | 499 | ||||
15 | A" | 225 | 186 | 0.827 | 109 | 500 | ||
C2H4S | Thiirane | 1 | A1 | 3162 | 3014 | 0.953 | 110 | 501 |
2 | A1 | 1520 | 1457 | 0.958 | 110 | 502 | ||
5 | A1 | 652 | 627 | 0.962 | 110 | 503 | ||
11 | B1 | 840 | 824 | 0.981 | 110 | 504 | ||
12 | B2 | 3158 | 3013 | 0.954 | 110 | 505 | ||
14 | B2 | 1090 | 1051 | 0.964 | 110 | 506 | ||
CH3COF | Acetyl fluoride | 1 | A' | 3199 | 3043 | 0.951 | 111 | 507 |
2 | A' | 3084 | 2955 | 0.958 | 111 | 508 | ||
3 | A' | 1938 | 1870 | 0.965 | 111 | 509 | ||
4 | A' | 1496 | 1440 | 0.962 | 111 | 510 | ||
5 | A' | 1434 | 1378 | 0.961 | 111 | 511 | ||
6 | A' | 1241 | 1188 | 0.957 | 111 | 512 | ||
7 | A' | 1033 | 1000 | 0.968 | 111 | 513 | ||
8 | A' | 866 | 826 | 0.954 | 111 | 514 | ||
9 | A' | 612 | 598 | 0.977 | 111 | 515 | ||
10 | A' | 418 | 420 | 1.004 | 111 | 516 | ||
11 | A" | 3156 | 3004 | 0.952 | 111 | 517 | ||
12 | A" | 1505 | 1437 | 0.955 | 111 | 518 | ||
13 | A" | 1093 | 1054 | 0.964 | 111 | 519 | ||
14 | A" | 583 | 567 | 0.973 | 111 | 520 | ||
15 | A" | 134 | 123 | 0.918 | 111 | 521 | ||
CH3COCl | Acetyl Chloride | 1 | A' | 3184 | 3027 | 0.951 | 112 | 522 |
2 | A' | 3079 | 2948 | 0.958 | 112 | 523 | ||
3 | A' | 1893 | 1818 | 0.960 | 112 | 524 | ||
4 | A' | 1492 | 1415 | 0.948 | 112 | 525 | ||
5 | A' | 1421 | 1368 | 0.962 | 112 | 526 | ||
6 | A' | 1146 | 1108 | 0.967 | 112 | 527 | ||
7 | A' | 987 | 956 | 0.969 | 112 | 528 | ||
8 | A' | 625 | 604 | 0.967 | 112 | 529 | ||
9 | A' | 460 | 445 | 0.967 | 112 | 530 | ||
10 | A' | 347 | 348 | 1.002 | 112 | 531 | ||
11 | A" | 3158 | 2990 | 0.947 | 112 | 532 | ||
12 | A" | 1498 | 1431 | 0.955 | 112 | 533 | ||
13 | A" | 1068 | 1032 | 0.966 | 112 | 534 | ||
14 | A" | 527 | 518 | 0.984 | 112 | 535 | ||
15 | A" | 149 | 166 | 1.113 | 112 | 536 | ||
C2H6 | Ethane | 1 | A1g | 3053 | 2954 | 0.968 | 113 | 537 |
2 | A1g | 1446 | 1388 | 0.960 | 113 | 538 | ||
3 | A1g | 1021 | 995 | 0.974 | 113 | 539 | ||
4 | A1u | 311 | 289 | 0.929 | 113 | 540 | ||
5 | A2u | 3051 | 2896 | 0.949 | 113 | 541 | ||
6 | A2u | 1428 | 1379 | 0.966 | 113 | 542 | ||
7 | Eg | 3109 | 2969 | 0.955 | 113 | 543 | ||
8 | Eg | 1527 | 1468 | 0.961 | 113 | 544 | ||
9 | Eg | 1240 | 1190 | 0.960 | 113 | 545 | ||
10 | Eu | 3131 | 2985 | 0.953 | 113 | 546 | ||
11 | Eu | 1529 | 1469 | 0.961 | 113 | 547 | ||
12 | Eu | 831 | 822 | 0.989 | 113 | 548 | ||
CH3CH2Cl | Ethyl chloride | 1 | A' | 3132 | 2967 | 0.947 | 114 | 549 |
2 | A' | 3111 | 2946 | 0.947 | 114 | 550 | ||
3 | A' | 3057 | 2881 | 0.942 | 114 | 551 | ||
4 | A' | 1526 | 1463 | 0.959 | 114 | 552 | ||
5 | A' | 1520 | 1448 | 0.953 | 114 | 553 | ||
6 | A' | 1438 | 1385 | 0.963 | 114 | 554 | ||
7 | A' | 1343 | 1289 | 0.960 | 114 | 555 | ||
8 | A' | 1109 | 1081 | 0.974 | 114 | 556 | ||
9 | A' | 1007 | 974 | 0.968 | 114 | 557 | ||
10 | A' | 697 | 677 | 0.972 | 114 | 558 | ||
11 | A' | 336 | 336 | 1.000 | 114 | 559 | ||
12 | A" | 3173 | 3014 | 0.950 | 114 | 560 | ||
13 | A" | 3142 | 2986 | 0.950 | 114 | 561 | ||
14 | A" | 1511 | 1448 | 0.958 | 114 | 562 | ||
15 | A" | 1297 | 1251 | 0.965 | 114 | 563 | ||
16 | A" | 1100 | 974 | 0.886 | 114 | 564 | ||
17 | A" | 798 | 786 | 0.984 | 114 | 565 | ||
18 | A" | 264 | 251 | 0.950 | 114 | 566 | ||
C3H6 | Cyclopropane | 1 | A1' | 3172 | 3038 | 0.958 | 115 | 567 |
2 | A1' | 1546 | 1479 | 0.957 | 115 | 568 | ||
3 | A1' | 1227 | 1188 | 0.968 | 115 | 569 | ||
4 | A1" | 1166 | 1126 | 0.965 | 115 | 570 | ||
5 | A2' | 1100 | 1070 | 0.973 | 115 | 571 | ||
6 | A2" | 3262 | 3103 | 0.951 | 115 | 572 | ||
7 | A2" | 857 | 854 | 0.996 | 115 | 573 | ||
8 | E' | 3161 | 3025 | 0.957 | 115 | 574 | ||
9 | E' | 1491 | 1438 | 0.965 | 115 | 575 | ||
10 | E' | 1068 | 1029 | 0.963 | 115 | 576 | ||
11 | E' | 903 | 866 | 0.959 | 115 | 577 | ||
12 | E" | 3241 | 3082 | 0.951 | 115 | 578 | ||
13 | E" | 1224 | 1188 | 0.971 | 115 | 579 | ||
14 | E" | 743 | 739 | 0.994 | 115 | 580 | ||
CH3CH2OH | Ethanol | 1 | A' | 3882 | 3653 | 0.941 | 116 | 581 |
2 | A' | 3135 | 2984 | 0.952 | 116 | 582 | ||
3 | A' | 3058 | 2939 | 0.961 | 116 | 583 | ||
4 | A' | 3023 | 2900 | 0.959 | 116 | 584 | ||
5 | A' | 1553 | 1490 | 0.960 | 116 | 585 | ||
6 | A' | 1525 | 1464 | 0.960 | 116 | 586 | ||
7 | A' | 1478 | 1412 | 0.955 | 116 | 587 | ||
8 | A' | 1424 | 1371 | 0.963 | 116 | 588 | ||
9 | A' | 1292 | 1256 | 0.972 | 116 | 589 | ||
10 | A' | 1131 | 1091 | 0.965 | 116 | 590 | ||
11 | A' | 1062 | 1028 | 0.968 | 116 | 591 | ||
12 | A' | 918 | 888 | 0.967 | 116 | 592 | ||
13 | A' | 419 | 417 | 0.994 | 116 | 593 | ||
14 | A" | 3140 | 2991 | 0.953 | 116 | 594 | ||
15 | A" | 3055 | 2910 | 0.952 | 116 | 595 | ||
16 | A" | 1508 | 1446 | 0.959 | 116 | 596 | ||
17 | A" | 1320 | 1275 | 0.966 | 116 | 597 | ||
18 | A" | 1199 | 1161 | 0.968 | 116 | 598 | ||
19 | A" | 827 | 812 | 0.981 | 116 | 599 | ||
20 | A" | 287 | 251 | 0.875 | 116 | 600 | ||
21 | A" | 241 | 200 | 0.830 | 116 | 601 | ||
CH3SCH3 | Dimethyl sulfide | 1 | A1 | 3156 | 2998 | 0.950 | 117 | 602 |
2 | A1 | 3055 | 2930 | 0.959 | 117 | 603 | ||
3 | A1 | 1513 | 1444 | 0.954 | 117 | 604 | ||
4 | A1 | 1390 | 1331 | 0.957 | 117 | 605 | ||
5 | A1 | 1069 | 973 | 0.910 | 117 | 606 | ||
6 | A1 | 717 | 695 | 0.969 | 117 | 607 | ||
7 | A1 | 267 | 282 | 1.057 | 117 | 608 | ||
8 | A2 | 3140 | 2952 | 0.940 | 117 | 609 | ||
9 | A2 | 1490 | 1420 | 0.953 | 117 | 610 | ||
10 | A2 | 974 | 919 | 0.944 | 117 | 611 | ||
12 | B1 | 3133 | 2970 | 0.948 | 117 | 612 | ||
13 | B1 | 1500 | 1439 | 0.959 | 117 | 613 | ||
14 | B1 | 1007 | 973 | 0.966 | 117 | 614 | ||
15 | B1 | 189 | 182 | 0.963 | 117 | 615 | ||
16 | B2 | 3157 | 2998 | 0.950 | 117 | 616 | ||
17 | B2 | 3058 | 2930 | 0.958 | 117 | 617 | ||
18 | B2 | 1506 | 1444 | 0.959 | 117 | 618 | ||
19 | B2 | 1367 | 1315 | 0.962 | 117 | 619 | ||
20 | B2 | 930 | 903 | 0.971 | 117 | 620 | ||
21 | B2 | 772 | 743 | 0.963 | 117 | 621 |
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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 |