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 | ||
0.948 ± 0.016 | 135 | 1113 | cccbdb |
Formula | Name | Mode | Symmetry | Frequency | Count | |||
---|---|---|---|---|---|---|---|---|
Theory | Experiment | ratio | molecules | vibrations | ||||
H2 | Hydrogen diatomic | 1 | Σg | 4411 | 4161 | 0.943 | 1 | 1 |
LiH | Lithium Hydride | 1 | Σ | 1413 | 1360 | 0.962 | 2 | 2 |
Li2 | Lithium diatomic | 1 | Σg | 345 | 346 | 1.003 | 3 | 3 |
NaH | sodium hydride | 1 | Σ | 1075 | 1133 | 1.054 | 4 | 4 |
Na2 | Sodium diatomic | 1 | Σg | 175 | 158 | 0.900 | 5 | 5 |
BeH | beryllium monohydride | 1 | Σ | 2066 | 1987 | 0.962 | 6 | 6 |
BH | Boron monohydride | 1 | Σ | 2390 | 2269 | 0.950 | 7 | 7 |
C2 | Carbon diatomic | 1 | Σg | 1906 | 1827 | 0.959 | 8 | 8 |
CN | Cyano radical | 1 | Σ | 2179 | 2042 | 0.937 | 9 | 9 |
N2 | Nitrogen diatomic | 1 | Σg | 2388 | 2330 | 0.975 | 10 | 10 |
1 | Σg | 1806 | 1733 | 0.960 | 10 | 11 | ||
PN | Phosphorus mononitride | 1 | Σ | 1397 | 1323 | 0.947 | 11 | 12 |
P2 | Phosphorus diatomic | 1 | Σg | 815 | 775 | 0.951 | 12 | 13 |
OH | Hydroxyl radical | 1 | Σ | 3796 | 3570 | 0.940 | 13 | 14 |
BeO | beryllium oxide | 1 | Σ | 1571 | 1435 | 0.913 | 14 | 15 |
CO | Carbon monoxide | 1 | Σ | 2240 | 2143 | 0.957 | 15 | 16 |
SiO | Silicon monoxide | 1 | Σ | 1283 | 1230 | 0.958 | 16 | 17 |
HS | Mercapto radical | 1 | Σ | 2713 | 2599 | 0.958 | 17 | 18 |
CS | carbon monosulfide | 1 | Σ | 1335 | 1272 | 0.953 | 18 | 19 |
SO | Sulfur monoxide | 1 | Σ | 1192 | 1138 | 0.955 | 19 | 20 |
1 | Σ | 1154 | 1054 | 0.914 | 19 | 21 | ||
SiS | silicon monosulfide | 1 | Σ | 775 | 744 | 0.961 | 20 | 22 |
HF | Hydrogen fluoride | 1 | Σ | 4227 | 3961 | 0.937 | 21 | 23 |
CF | Fluoromethylidyne | 1 | Σ | 1359 | 1286 | 0.946 | 22 | 24 |
F2 | Fluorine diatomic | 1 | Σg | 1015 | 894 | 0.881 | 23 | 25 |
AlF | Aluminum monofluoride | 1 | Σ | 800 | 793 | 0.990 | 24 | 26 |
SF | Monosulfur monofluoride | 1 | Σ | 861 | 829 | 0.962 | 25 | 27 |
HCl | Hydrogen chloride | 1 | Σ | 3021 | 2886 | 0.955 | 26 | 28 |
ClO | Monochlorine monoxide | 1 | Σ | 851 | 843 | 0.990 | 27 | 29 |
ClF | Chlorine monofluoride | 1 | Σ | 810 | 773 | 0.955 | 28 | 30 |
NaCl | Sodium Chloride | 1 | Σ | 359 | 361 | 1.007 | 29 | 31 |
AlCl | Aluminum monochloride | 1 | Σ | 489 | 478 | 0.977 | 30 | 32 |
SCl | sulfur monochloride | 1 | Σ | 582 | 577 | 0.992 | 31 | 33 |
Cl2 | Chlorine diatomic | 1 | Σg | 568 | 554 | 0.976 | 32 | 34 |
BeH2 | beryllium dihydride | 2 | Σu | 2238 | 2159 | 0.965 | 33 | 35 |
3 | Πu | 720 | 698 | 0.969 | 33 | 36 | ||
SiH2 | silicon dihydride | 1 | A1 | 2085 | 1996 | 0.957 | 34 | 37 |
2 | A1 | 1035 | 999 | 0.965 | 34 | 38 | ||
3 | B2 | 2085 | 1993 | 0.956 | 34 | 39 | ||
HCN | Hydrogen cyanide | 1 | Σ | 3486 | 3312 | 0.950 | 35 | 40 |
2 | Σ | 2191 | 2089 | 0.953 | 35 | 41 | ||
3 | Π | 753 | 712 | 0.945 | 35 | 42 | ||
HNC | hydrogen isocyanide | 1 | Σ | 3900 | 3653 | 0.937 | 36 | 43 |
2 | Σ | 2130 | 2029 | 0.952 | 36 | 44 | ||
3 | Π | 552 | 477 | 0.864 | 36 | 45 | ||
HCP | Phosphaethyne | 1 | Σ | 3405 | 3217 | 0.945 | 37 | 46 |
2 | Σ | 1342 | 1278 | 0.953 | 37 | 47 | ||
3 | Π | 733 | 674 | 0.920 | 37 | 48 | ||
H2O | Water | 1 | A1 | 3893 | 3657 | 0.939 | 38 | 49 |
2 | A1 | 1677 | 1595 | 0.951 | 38 | 50 | ||
3 | B2 | 3998 | 3756 | 0.940 | 38 | 51 | ||
HNO | Nitrosyl hydride | 1 | A' | 3018 | 2684 | 0.889 | 39 | 52 |
2 | A' | 1682 | 1565 | 0.931 | 39 | 53 | ||
3 | A' | 1592 | 1501 | 0.943 | 39 | 54 | ||
CO2 | Carbon dioxide | 1 | Σg | 1401 | 1333 | 0.952 | 40 | 55 |
2 | Σu | 2451 | 2349 | 0.958 | 40 | 56 | ||
3 | Πu | 689 | 667 | 0.968 | 40 | 57 | ||
N2O | Nitrous oxide | 1 | Σ | 2390 | 2224 | 0.930 | 41 | 58 |
2 | Σ | 1344 | 1285 | 0.956 | 41 | 59 | ||
3 | Π | 649 | 589 | 0.908 | 41 | 60 | ||
H2S | Hydrogen sulfide | 1 | A1 | 2742 | 2615 | 0.954 | 42 | 61 |
2 | A1 | 1228 | 1183 | 0.964 | 42 | 62 | ||
3 | B2 | 2755 | 2626 | 0.953 | 42 | 63 | ||
HBS | hydrogen boron sulfide | 1 | Σ | 2856 | 2736 | 0.958 | 43 | 64 |
2 | Σ | 1211 | 1172 | 0.968 | 43 | 65 | ||
OCS | Carbonyl sulfide | 1 | Σ | 2161 | 2062 | 0.954 | 44 | 66 |
2 | Σ | 885 | 859 | 0.971 | 44 | 67 | ||
3 | Π | 548 | 520 | 0.949 | 44 | 68 | ||
SO2 | Sulfur dioxide | 1 | A1 | 1222 | 1151 | 0.942 | 45 | 69 |
2 | A1 | 539 | 518 | 0.960 | 45 | 70 | ||
3 | B2 | 1425 | 1362 | 0.956 | 45 | 71 | ||
SSO | Disulfur monoxide | 1 | A' | 1240 | 1166 | 0.941 | 46 | 72 |
2 | A' | 718 | 679 | 0.945 | 46 | 73 | ||
3 | A' | 393 | 380 | 0.967 | 46 | 74 | ||
HOF | Hypofluorous acid | 1 | A' | 3841 | 3578 | 0.931 | 47 | 75 |
2 | A' | 1441 | 1362 | 0.946 | 47 | 76 | ||
3 | A' | 1000 | 893 | 0.894 | 47 | 77 | ||
CF2 | Difluoromethylene | 1 | A1 | 1295 | 1225 | 0.946 | 48 | 78 |
2 | A1 | 692 | 667 | 0.964 | 48 | 79 | ||
3 | B2 | 1204 | 1114 | 0.926 | 48 | 80 | ||
FNO | Nitrosyl fluoride | 1 | A' | 1913 | 1844 | 0.964 | 49 | 81 |
2 | A' | 846 | 766 | 0.906 | 49 | 82 | ||
3 | A' | 598 | 520 | 0.870 | 49 | 83 | ||
F2O | Difluorine monoxide | 1 | A1 | 1020 | 928 | 0.910 | 50 | 84 |
2 | A1 | 501 | 461 | 0.919 | 50 | 85 | ||
3 | B2 | 964 | 831 | 0.862 | 50 | 86 | ||
HOCl | hypochlorous acid | 1 | A' | 3874 | 3609 | 0.932 | 51 | 87 |
2 | A' | 1299 | 1239 | 0.954 | 51 | 88 | ||
3 | A' | 768 | 724 | 0.943 | 51 | 89 | ||
ClCN | chlorocyanogen | 1 | Σ | 2339 | 2216 | 0.948 | 52 | 90 |
2 | Σ | 756 | 744 | 0.985 | 52 | 91 | ||
3 | Π | 409 | 378 | 0.924 | 52 | 92 | ||
ClNO | Nitrosyl chloride | 1 | A' | 1889 | 1800 | 0.953 | 53 | 93 |
2 | A' | 637 | 596 | 0.936 | 53 | 94 | ||
3 | A' | 359 | 332 | 0.924 | 53 | 95 | ||
OClO | Chlorine dioxide | 1 | A1 | 1000 | 946 | 0.946 | 54 | 96 |
2 | A1 | 467 | 448 | 0.959 | 54 | 97 | ||
3 | B2 | 1165 | 1110 | 0.953 | 54 | 98 | ||
BH3 | boron trihydride | 2 | A2" | 1160 | 1148 | 0.989 | 55 | 99 |
3 | E' | 2728 | 2602 | 0.954 | 55 | 100 | ||
4 | E' | 1225 | 1197 | 0.977 | 55 | 101 | ||
C2H2 | Acetylene | 1 | Σg | 3558 | 3374 | 0.948 | 56 | 102 |
2 | Σg | 2063 | 1974 | 0.957 | 56 | 103 | ||
3 | Σu | 3430 | 3289 | 0.959 | 56 | 104 | ||
4 | Πg | 634 | 612 | 0.966 | 56 | 105 | ||
5 | Πu | 775 | 730 | 0.942 | 56 | 106 | ||
NH3 | Ammonia | 1 | A1 | 3530 | 3337 | 0.945 | 57 | 107 |
2 | A1 | 1099 | 950 | 0.865 | 57 | 108 | ||
3 | E | 3650 | 3444 | 0.944 | 57 | 109 | ||
4 | E | 1706 | 1627 | 0.954 | 57 | 110 | ||
PH3 | Phosphine | 1 | A1 | 2437 | 2323 | 0.953 | 58 | 111 |
2 | A1 | 1033 | 992 | 0.960 | 58 | 112 | ||
3 | E | 2446 | 2328 | 0.952 | 58 | 113 | ||
4 | E | 1158 | 1118 | 0.965 | 58 | 114 | ||
H2CO | Formaldehyde | 1 | A1 | 2983 | 2782 | 0.933 | 59 | 115 |
2 | A1 | 1840 | 1746 | 0.949 | 59 | 116 | ||
3 | A1 | 1574 | 1500 | 0.953 | 59 | 117 | ||
4 | B1 | 1231 | 1167 | 0.948 | 59 | 118 | ||
5 | B2 | 3030 | 2843 | 0.938 | 59 | 119 | ||
6 | B2 | 1302 | 1249 | 0.960 | 59 | 120 | ||
H2O2 | Hydrogen peroxide | 1 | A | 3868 | 3599 | 0.931 | 60 | 121 |
2 | A | 1473 | 1402 | 0.952 | 60 | 122 | ||
3 | A | 978 | 877 | 0.897 | 60 | 123 | ||
4 | A | 387 | 371 | 0.959 | 60 | 124 | ||
5 | B | 3866 | 3608 | 0.933 | 60 | 125 | ||
6 | B | 1364 | 1266 | 0.928 | 60 | 126 | ||
H2CS | Thioformaldehyde | 1 | A1 | 3138 | 2971 | 0.947 | 61 | 127 |
2 | A1 | 1531 | 1456 | 0.951 | 61 | 128 | ||
3 | A1 | 1108 | 1059 | 0.956 | 61 | 129 | ||
4 | B1 | 1048 | 990 | 0.945 | 61 | 130 | ||
5 | B2 | 3204 | 3025 | 0.944 | 61 | 131 | ||
6 | B2 | 1025 | 991 | 0.967 | 61 | 132 | ||
CF2O | Carbonic difluoride | 1 | A1 | 2034 | 1928 | 0.948 | 62 | 133 |
2 | A1 | 1015 | 965 | 0.951 | 62 | 134 | ||
3 | A1 | 603 | 584 | 0.968 | 62 | 135 | ||
4 | B1 | 815 | 774 | 0.949 | 62 | 136 | ||
5 | B2 | 1333 | 1249 | 0.937 | 62 | 137 | ||
6 | B2 | 645 | 626 | 0.970 | 62 | 138 | ||
BF3 | Borane, trifluoro- | 1 | A1' | 914 | 888 | 0.971 | 63 | 139 |
2 | A2" | 713 | 691 | 0.969 | 63 | 140 | ||
3 | E' | 1514 | 1449 | 0.957 | 63 | 141 | ||
4 | E' | 491 | 480 | 0.978 | 63 | 142 | ||
NF3 | Nitrogen trifluoride | 1 | A1 | 692 | 1032 | 1.491 | 64 | 143 |
2 | A1 | 1105 | 647 | 0.586 | 64 | 144 | ||
3 | E | 528 | 907 | 1.718 | 64 | 145 | ||
4 | E | 1021 | 492 | 0.482 | 64 | 146 | ||
AlF3 | Aluminum trifluoride | 1 | A1' | 701 | 690 | 0.985 | 65 | 147 |
2 | A2" | 305 | 297 | 0.974 | 65 | 148 | ||
3 | E' | 971 | 935 | 0.963 | 65 | 149 | ||
4 | E' | 241 | 263 | 1.089 | 65 | 150 | ||
PF3 | Phosphorus trifluoride | 1 | A1 | 924 | 892 | 0.965 | 66 | 151 |
2 | A1 | 497 | 487 | 0.980 | 66 | 152 | ||
3 | E | 894 | 860 | 0.962 | 66 | 153 | ||
4 | E | 354 | 344 | 0.973 | 66 | 154 | ||
ClNO2 | Nitryl chloride | 1 | A1 | 1380 | 1267 | 0.918 | 67 | 155 |
2 | A1 | 845 | 793 | 0.938 | 67 | 156 | ||
3 | A1 | 433 | 364 | 0.840 | 67 | 157 | ||
4 | B1 | 712 | 652 | 0.915 | 67 | 158 | ||
5 | B2 | 1803 | 1684 | 0.934 | 67 | 159 | ||
6 | B2 | 438 | 408 | 0.932 | 67 | 160 | ||
ClF3 | Chlorine trifluoride | 1 | A1 | 813 | 752 | 0.925 | 68 | 161 |
2 | A1 | 575 | 529 | 0.921 | 68 | 162 | ||
3 | A1 | 354 | 328 | 0.928 | 68 | 163 | ||
4 | B1 | 345 | 328 | 0.950 | 68 | 164 | ||
5 | B2 | 752 | 702 | 0.933 | 68 | 165 | ||
6 | B2 | 459 | 442 | 0.963 | 68 | 166 | ||
CCl2O | Phosgene | 1 | A1 | 1914 | 1827 | 0.955 | 69 | 167 |
2 | A1 | 593 | 567 | 0.957 | 69 | 168 | ||
3 | A1 | 310 | 285 | 0.919 | 69 | 169 | ||
4 | B1 | 611 | 580 | 0.950 | 69 | 170 | ||
5 | B2 | 898 | 849 | 0.945 | 69 | 171 | ||
6 | B2 | 462 | 440 | 0.952 | 69 | 172 | ||
PCl3 | Phosphorus trichloride | 1 | A1 | 533 | 504 | 0.946 | 70 | 173 |
2 | A1 | 266 | 252 | 0.948 | 70 | 174 | ||
3 | E | 527 | 482 | 0.914 | 70 | 175 | ||
4 | E | 192 | 198 | 1.029 | 70 | 176 | ||
CH4 | Methane | 1 | A1 | 3070 | 2917 | 0.950 | 71 | 177 |
2 | E | 1596 | 1534 | 0.961 | 71 | 178 | ||
3 | T2 | 3172 | 3019 | 0.952 | 71 | 179 | ||
4 | T2 | 1366 | 1306 | 0.956 | 71 | 180 | ||
CH2NH | Methanimine | 1 | A' | 3500 | 3263 | 0.932 | 72 | 181 |
2 | A' | 3180 | 3024 | 0.951 | 72 | 182 | ||
3 | A' | 3101 | 2914 | 0.940 | 72 | 183 | ||
4 | A' | 1732 | 1638 | 0.946 | 72 | 184 | ||
5 | A' | 1518 | 1452 | 0.956 | 72 | 185 | ||
6 | A' | 1405 | 1344 | 0.957 | 72 | 186 | ||
7 | A' | 1096 | 1058 | 0.966 | 72 | 187 | ||
8 | A" | 1189 | 1127 | 0.948 | 72 | 188 | ||
9 | A" | 1126 | 1061 | 0.942 | 72 | 189 | ||
NH2OH | hydroxylamine | 1 | A' | 3914 | 3650 | 0.932 | 73 | 190 |
2 | A' | 3511 | 3294 | 0.938 | 73 | 191 | ||
3 | A' | 1700 | 1605 | 0.944 | 73 | 192 | ||
4 | A' | 1440 | 1353 | 0.940 | 73 | 193 | ||
5 | A' | 1181 | 1115 | 0.945 | 73 | 194 | ||
6 | A' | 983 | 895 | 0.910 | 73 | 195 | ||
7 | A" | 3590 | 3359 | 0.936 | 73 | 196 | ||
8 | A" | 1358 | 1295 | 0.953 | 73 | 197 | ||
9 | A" | 422 | 386 | 0.914 | 73 | 198 | ||
CH2CO | Ketene | 1 | A1 | 3250 | 3070 | 0.945 | 74 | 199 |
2 | A1 | 2252 | 2152 | 0.955 | 74 | 200 | ||
3 | A1 | 1458 | 1388 | 0.952 | 74 | 201 | ||
4 | A1 | 1187 | 1118 | 0.942 | 74 | 202 | ||
5 | B1 | 635 | 588 | 0.926 | 74 | 203 | ||
6 | B1 | 572 | 528 | 0.924 | 74 | 204 | ||
7 | B2 | 3334 | 3166 | 0.950 | 74 | 205 | ||
8 | B2 | 1016 | 977 | 0.962 | 74 | 206 | ||
9 | B2 | 450 | 433 | 0.963 | 74 | 207 | ||
HCOOH | Formic acid | 1 | A' | 3832 | 3570 | 0.932 | 75 | 208 |
2 | A' | 3133 | 2943 | 0.939 | 75 | 209 | ||
3 | A' | 1879 | 1770 | 0.942 | 75 | 210 | ||
4 | A' | 1450 | 1387 | 0.957 | 75 | 211 | ||
5 | A' | 1350 | 1229 | 0.910 | 75 | 212 | ||
6 | A' | 1170 | 1105 | 0.945 | 75 | 213 | ||
7 | A' | 647 | 625 | 0.966 | 75 | 214 | ||
8 | A" | 1102 | 1033 | 0.937 | 75 | 215 | ||
9 | A" | 682 | 638 | 0.935 | 75 | 216 | ||
HNO3 | Nitric acid | 1 | A' | 3821 | 3550 | 0.929 | 76 | 217 |
2 | A' | 1835 | 1708 | 0.931 | 76 | 218 | ||
3 | A' | 1424 | 1331 | 0.935 | 76 | 219 | ||
4 | A' | 1382 | 1325 | 0.959 | 76 | 220 | ||
5 | A' | 979 | 879 | 0.898 | 76 | 221 | ||
6 | A' | 708 | 647 | 0.914 | 76 | 222 | ||
7 | A' | 619 | 579 | 0.935 | 76 | 223 | ||
8 | A" | 833 | 762 | 0.915 | 76 | 224 | ||
9 | A" | 508 | 456 | 0.898 | 76 | 225 | ||
CH3F | Methyl fluoride | 1 | A1 | 3041 | 2930 | 0.964 | 77 | 226 |
2 | A1 | 1529 | 1464 | 0.958 | 77 | 227 | ||
3 | A1 | 1076 | 1049 | 0.975 | 77 | 228 | ||
4 | E | 3107 | 3006 | 0.968 | 77 | 229 | ||
5 | E | 1540 | 1467 | 0.953 | 77 | 230 | ||
6 | E | 1231 | 1182 | 0.960 | 77 | 231 | ||
CH2F2 | Methane, difluoro- | 1 | A1 | 3122 | 2948 | 0.944 | 78 | 232 |
2 | A1 | 1587 | 1508 | 0.950 | 78 | 233 | ||
3 | A1 | 1167 | 1111 | 0.952 | 78 | 234 | ||
4 | A1 | 549 | 529 | 0.963 | 78 | 235 | ||
5 | A2 | 1320 | 1262 | 0.956 | 78 | 236 | ||
6 | B1 | 3175 | 3014 | 0.949 | 78 | 237 | ||
7 | B1 | 1222 | 1178 | 0.965 | 78 | 238 | ||
8 | B2 | 1509 | 1435 | 0.951 | 78 | 239 | ||
9 | B2 | 1172 | 1090 | 0.930 | 78 | 240 | ||
CHF3 | Methane, trifluoro- | 1 | A1 | 3205 | 3036 | 0.947 | 79 | 241 |
2 | A1 | 1187 | 1117 | 0.941 | 79 | 242 | ||
3 | A1 | 725 | 700 | 0.965 | 79 | 243 | ||
4 | E | 1456 | 1372 | 0.942 | 79 | 244 | ||
5 | E | 1234 | 1152 | 0.934 | 79 | 245 | ||
6 | E | 526 | 507 | 0.964 | 79 | 246 | ||
SiH3F | monofluorosilane | 1 | A1 | 2295 | 2206 | 0.961 | 80 | 247 |
2 | A1 | 1014 | 990 | 0.976 | 80 | 248 | ||
3 | A1 | 895 | 872 | 0.974 | 80 | 249 | ||
4 | E | 2302 | 2196 | 0.954 | 80 | 250 | ||
6 | E | 992 | 956 | 0.964 | 80 | 251 | ||
8 | E | 744 | 728 | 0.978 | 80 | 252 | ||
CH3Cl | Methyl chloride | 1 | A1 | 3122 | 2966 | 0.950 | 81 | 253 |
2 | A1 | 1412 | 1355 | 0.960 | 81 | 254 | ||
3 | A1 | 762 | 732 | 0.961 | 81 | 255 | ||
4 | E | 3204 | 3042 | 0.949 | 81 | 256 | ||
5 | E | 1519 | 1455 | 0.958 | 81 | 257 | ||
6 | E | 1048 | 1015 | 0.968 | 81 | 258 | ||
SiH3Cl | chlorosilane | 1 | A1 | 2290 | 2201 | 0.961 | 82 | 259 |
2 | A1 | 972 | 949 | 0.976 | 82 | 260 | ||
3 | A1 | 564 | 551 | 0.976 | 82 | 261 | ||
4 | E | 2303 | 2195 | 0.953 | 82 | 262 | ||
5 | E | 982 | 954 | 0.971 | 82 | 263 | ||
6 | E | 677 | 664 | 0.981 | 82 | 264 | ||
CH2Cl2 | Methylene chloride | 1 | A1 | 3178 | 2999 | 0.944 | 83 | 265 |
2 | A1 | 1505 | 1467 | 0.975 | 83 | 266 | ||
3 | A1 | 739 | 717 | 0.970 | 83 | 267 | ||
4 | A1 | 290 | 282 | 0.972 | 83 | 268 | ||
5 | A2 | 1207 | 1153 | 0.955 | 83 | 269 | ||
6 | B1 | 3229 | 3040 | 0.941 | 83 | 270 | ||
7 | B1 | 919 | 898 | 0.977 | 83 | 271 | ||
8 | B2 | 1320 | 1268 | 0.961 | 83 | 272 | ||
9 | B2 | 803 | 758 | 0.944 | 83 | 273 | ||
SiH2Cl2 | dichlorosilane | 1 | A1 | 2318 | 2224 | 0.959 | 84 | 274 |
2 | A1 | 980 | 954 | 0.973 | 84 | 275 | ||
3 | A1 | 541 | 527 | 0.974 | 84 | 276 | ||
4 | A1 | 191 | 188 | 0.985 | 84 | 277 | ||
5 | A2 | 731 | 710 | 0.971 | 84 | 278 | ||
6 | B1 | 2332 | 2237 | 0.959 | 84 | 279 | ||
7 | B1 | 611 | 602 | 0.985 | 84 | 280 | ||
8 | B2 | 897 | 876 | 0.977 | 84 | 281 | ||
9 | B2 | 608 | 590 | 0.971 | 84 | 282 | ||
CHCl3 | Chloroform | 1 | A1 | 3235 | 3034 | 0.938 | 85 | 283 |
2 | A1 | 692 | 680 | 0.983 | 85 | 284 | ||
3 | A1 | 376 | 366 | 0.974 | 85 | 285 | ||
4 | E | 1277 | 1220 | 0.955 | 85 | 286 | ||
5 | E | 819 | 774 | 0.945 | 85 | 287 | ||
6 | E | 268 | 260 | 0.970 | 85 | 288 | ||
CF2Cl2 | difluorodichloromethane | 1 | A1 | 1173 | 1101 | 0.939 | 86 | 289 |
2 | A1 | 691 | 667 | 0.965 | 86 | 290 | ||
3 | A1 | 473 | 458 | 0.968 | 86 | 291 | ||
4 | A1 | 269 | 262 | 0.974 | 86 | 292 | ||
5 | A2 | 333 | 322 | 0.968 | 86 | 293 | ||
6 | B1 | 953 | 902 | 0.947 | 86 | 294 | ||
7 | B1 | 452 | 437 | 0.967 | 86 | 295 | ||
8 | B2 | 1244 | 1159 | 0.932 | 86 | 296 | ||
9 | B2 | 448 | 446 | 0.995 | 86 | 297 | ||
SiHCl3 | Trichlorosilane | 1 | A1 | 2356 | 2261 | 0.960 | 87 | 298 |
2 | A1 | 507 | 499 | 0.984 | 87 | 299 | ||
3 | A1 | 256 | 254 | 0.991 | 87 | 300 | ||
4 | E | 824 | 811 | 0.984 | 87 | 301 | ||
5 | E | 621 | 600 | 0.966 | 87 | 302 | ||
6 | E | 177 | 176 | 0.992 | 87 | 303 | ||
C2H4 | Ethylene | 1 | Ag | 3202 | 3026 | 0.945 | 88 | 304 |
2 | Ag | 1715 | 1623 | 0.946 | 88 | 305 | ||
3 | Ag | 1398 | 1342 | 0.960 | 88 | 306 | ||
4 | Au | 1068 | 1023 | 0.957 | 88 | 307 | ||
5 | B1u | 3178 | 2989 | 0.940 | 88 | 308 | ||
6 | B1u | 1503 | 1444 | 0.961 | 88 | 309 | ||
7 | B2g | 983 | 940 | 0.956 | 88 | 310 | ||
8 | B2u | 3268 | 3105 | 0.950 | 88 | 311 | ||
9 | B2u | 839 | 826 | 0.985 | 88 | 312 | ||
10 | B3g | 3234 | 3086 | 0.954 | 88 | 313 | ||
11 | B3g | 1258 | 1217 | 0.967 | 88 | 314 | ||
12 | B3u | 999 | 949 | 0.950 | 88 | 315 | ||
N2H4 | Hydrazine | 1 | A | 3624 | 3398 | 0.938 | 89 | 316 |
2 | A | 3532 | 3329 | 0.942 | 89 | 317 | ||
3 | A | 1717 | 1642 | 0.956 | 89 | 318 | ||
4 | A | 1365 | 1275 | 0.934 | 89 | 319 | ||
5 | A | 1148 | 1076 | 0.938 | 89 | 320 | ||
6 | A | 871 | 780 | 0.895 | 89 | 321 | ||
7 | A | 431 | 377 | 0.874 | 89 | 322 | ||
8 | B | 3629 | 3350 | 0.923 | 89 | 323 | ||
9 | B | 3522 | 3314 | 0.941 | 89 | 324 | ||
10 | B | 1705 | 1628 | 0.955 | 89 | 325 | ||
11 | B | 1331 | 1275 | 0.958 | 89 | 326 | ||
12 | B | 1039 | 966 | 0.930 | 89 | 327 | ||
CH3CN | Acetonitrile | 1 | A1 | 3104 | 2954 | 0.952 | 90 | 328 |
2 | A1 | 2387 | 2267 | 0.950 | 90 | 329 | ||
3 | A1 | 1442 | 1385 | 0.960 | 90 | 330 | ||
4 | A1 | 944 | 920 | 0.975 | 90 | 331 | ||
5 | E | 3171 | 3009 | 0.949 | 90 | 332 | ||
6 | E | 1513 | 1448 | 0.957 | 90 | 333 | ||
7 | E | 1080 | 1041 | 0.964 | 90 | 334 | ||
8 | E | 386 | 362 | 0.938 | 90 | 335 | ||
CH3OH | Methyl alcohol | 1 | A' | 3924 | 3681 | 0.938 | 91 | 336 |
2 | A' | 3149 | 3000 | 0.953 | 91 | 337 | ||
3 | A' | 3049 | 2844 | 0.933 | 91 | 338 | ||
4 | A' | 1550 | 1477 | 0.953 | 91 | 339 | ||
5 | A' | 1515 | 1455 | 0.960 | 91 | 340 | ||
6 | A' | 1408 | 1345 | 0.955 | 91 | 341 | ||
7 | A' | 1119 | 1060 | 0.947 | 91 | 342 | ||
8 | A' | 1086 | 1033 | 0.952 | 91 | 343 | ||
9 | A" | 3088 | 2960 | 0.959 | 91 | 344 | ||
10 | A" | 1535 | 1477 | 0.962 | 91 | 345 | ||
11 | A" | 1202 | 1165 | 0.969 | 91 | 346 | ||
12 | A" | 309 | 200 | 0.648 | 91 | 347 | ||
CHONH2 | formamide | 1 | A' | 3803 | 3564 | 0.937 | 92 | 348 |
2 | A' | 3668 | 3439 | 0.938 | 92 | 349 | ||
3 | A' | 3032 | 2854 | 0.941 | 92 | 350 | ||
4 | A' | 1858 | 1754 | 0.944 | 92 | 351 | ||
5 | A' | 1659 | 1577 | 0.951 | 92 | 352 | ||
6 | A' | 1464 | 1390 | 0.950 | 92 | 353 | ||
7 | A' | 1302 | 1258 | 0.966 | 92 | 354 | ||
8 | A' | 1075 | 1046 | 0.973 | 92 | 355 | ||
9 | A' | 577 | 581 | 1.007 | 92 | 356 | ||
10 | A" | 1094 | 1021 | 0.934 | 92 | 357 | ||
11 | A" | 644 | 603 | 0.935 | 92 | 358 | ||
12 | A" | 105 | 289 | 2.757 | 92 | 359 | ||
CH3SH | Methanethiol | 1 | A' | 3172 | 3000 | 0.946 | 93 | 360 |
2 | A' | 3103 | 2931 | 0.945 | 93 | 361 | ||
3 | A' | 2732 | 2597 | 0.950 | 93 | 362 | ||
4 | A' | 1524 | 1475 | 0.968 | 93 | 363 | ||
5 | A' | 1389 | 1335 | 0.961 | 93 | 364 | ||
6 | A' | 1119 | 1074 | 0.960 | 93 | 365 | ||
7 | A' | 814 | 803 | 0.987 | 93 | 366 | ||
8 | A' | 738 | 708 | 0.959 | 93 | 367 | ||
9 | A" | 3175 | 3000 | 0.945 | 93 | 368 | ||
10 | A" | 1509 | 1430 | 0.947 | 93 | 369 | ||
11 | A" | 992 | 976 | 0.984 | 93 | 370 | ||
CH2CHF | Ethene, fluoro- | 1 | A' | 3305 | 3115 | 0.943 | 94 | 371 |
2 | A' | 3260 | 3080 | 0.945 | 94 | 372 | ||
3 | A' | 3223 | 3052 | 0.947 | 94 | 373 | ||
4 | A' | 1754 | 1654 | 0.943 | 94 | 374 | ||
5 | A' | 1451 | 1380 | 0.951 | 94 | 375 | ||
6 | A' | 1362 | 1306 | 0.959 | 94 | 376 | ||
7 | A' | 1210 | 1156 | 0.956 | 94 | 377 | ||
8 | A' | 964 | 929 | 0.963 | 94 | 378 | ||
9 | A' | 492 | 483 | 0.982 | 94 | 379 | ||
10 | A" | 989 | 940 | 0.951 | 94 | 380 | ||
11 | A" | 922 | 863 | 0.936 | 94 | 381 | ||
12 | A" | 747 | 711 | 0.952 | 94 | 382 | ||
CH2CF2 | Ethene, 1,1-difluoro- | 1 | A1 | 3259 | 3070 | 0.942 | 95 | 383 |
2 | A1 | 1829 | 1728 | 0.945 | 95 | 384 | ||
3 | A1 | 1451 | 1360 | 0.937 | 95 | 385 | ||
4 | A1 | 966 | 926 | 0.958 | 95 | 386 | ||
5 | A1 | 568 | 550 | 0.968 | 95 | 387 | ||
6 | A2 | 744 | 714 | 0.959 | 95 | 388 | ||
7 | B1 | 877 | 803 | 0.915 | 95 | 389 | ||
8 | B1 | 653 | 611 | 0.936 | 95 | 390 | ||
9 | B2 | 3340 | 3154 | 0.944 | 95 | 391 | ||
10 | B2 | 1384 | 1302 | 0.941 | 95 | 392 | ||
11 | B2 | 991 | 955 | 0.964 | 95 | 393 | ||
12 | B2 | 448 | 438 | 0.978 | 95 | 394 | ||
C2H3Cl | Ethene, chloro- | 1 | A' | 3287 | 3121 | 0.949 | 96 | 395 |
2 | A' | 3265 | 3086 | 0.945 | 96 | 396 | ||
3 | A' | 3208 | 3030 | 0.944 | 96 | 397 | ||
4 | A' | 1702 | 1608 | 0.945 | 96 | 398 | ||
5 | A' | 1439 | 1368 | 0.950 | 96 | 399 | ||
6 | A' | 1328 | 1279 | 0.963 | 96 | 400 | ||
7 | A' | 1066 | 1030 | 0.966 | 96 | 401 | ||
8 | A' | 742 | 720 | 0.970 | 96 | 402 | ||
9 | A' | 401 | 395 | 0.985 | 96 | 403 | ||
10 | A" | 1002 | 941 | 0.939 | 96 | 404 | ||
11 | A" | 966 | 896 | 0.928 | 96 | 405 | ||
12 | A" | 650 | 620 | 0.955 | 96 | 406 | ||
CH2CCl2 | Ethene, 1,1-dichloro- | 1 | A1 | 3231 | 3035 | 0.939 | 97 | 407 |
2 | A1 | 1711 | 1627 | 0.951 | 97 | 408 | ||
3 | A1 | 1439 | 1400 | 0.973 | 97 | 409 | ||
4 | A1 | 621 | 603 | 0.971 | 97 | 410 | ||
5 | A1 | 304 | 299 | 0.985 | 97 | 411 | ||
6 | A2 | 723 | 686 | 0.948 | 97 | 412 | ||
7 | B1 | 961 | 875 | 0.911 | 97 | 413 | ||
8 | B1 | 486 | 460 | 0.947 | 97 | 414 | ||
9 | B2 | 3307 | 3130 | 0.947 | 97 | 415 | ||
10 | B2 | 1142 | 1095 | 0.959 | 97 | 416 | ||
11 | B2 | 824 | 800 | 0.971 | 97 | 417 | ||
12 | B2 | 379 | 372 | 0.982 | 97 | 418 | ||
CHClCHCl | Ethene, 1,2-dichloro-, (Z)- | 1 | A1 | 3285 | 3077 | 0.937 | 98 | 419 |
2 | A1 | 1699 | 1587 | 0.934 | 98 | 420 | ||
3 | A1 | 1239 | 1179 | 0.951 | 98 | 421 | ||
4 | A1 | 740 | 711 | 0.961 | 98 | 422 | ||
5 | A1 | 170 | 173 | 1.019 | 98 | 423 | ||
6 | A2 | 944 | 876 | 0.928 | 98 | 424 | ||
7 | A2 | 428 | 406 | 0.948 | 98 | 425 | ||
8 | B1 | 745 | 697 | 0.936 | 98 | 426 | ||
9 | B2 | 3253 | 3072 | 0.944 | 98 | 427 | ||
10 | B2 | 1354 | 1303 | 0.962 | 98 | 428 | ||
11 | B2 | 885 | 857 | 0.968 | 98 | 429 | ||
12 | B2 | 583 | 571 | 0.979 | 98 | 430 | ||
B2Cl4 | Diboron tetrachloride | 1 | A1 | 1186 | 1122 | 0.946 | 99 | 431 |
2 | A1 | 415 | 401 | 0.966 | 99 | 432 | ||
3 | A1 | 176 | 176 | 0.999 | 99 | 433 | ||
5 | B2 | 754 | 728 | 0.966 | 99 | 434 | ||
6 | B2 | 297 | 289 | 0.972 | 99 | 435 | ||
7 | E | 959 | 917 | 0.956 | 99 | 436 | ||
8 | E | 512 | 512 | 0.999 | 99 | 437 | ||
9 | E | 99 | 104 | 1.052 | 99 | 438 | ||
CH3NH2 | methyl amine | 1 | A' | 3560 | 3361 | 0.944 | 100 | 439 |
2 | A' | 3106 | 2961 | 0.953 | 100 | 440 | ||
3 | A' | 3031 | 2820 | 0.931 | 100 | 441 | ||
4 | A' | 1690 | 1623 | 0.960 | 100 | 442 | ||
5 | A' | 1534 | 1473 | 0.960 | 100 | 443 | ||
6 | A' | 1486 | 1430 | 0.962 | 100 | 444 | ||
7 | A' | 1204 | 1130 | 0.939 | 100 | 445 | ||
8 | A' | 1096 | 1044 | 0.953 | 100 | 446 | ||
9 | A' | 880 | 780 | 0.887 | 100 | 447 | ||
10 | A" | 3635 | 3427 | 0.943 | 100 | 448 | ||
11 | A" | 3133 | 2985 | 0.953 | 100 | 449 | ||
12 | A" | 1554 | 1485 | 0.956 | 100 | 450 | ||
13 | A" | 1376 | 1335 | 0.970 | 100 | 451 | ||
14 | A" | 989 | 100 | 452 | ||||
15 | A" | 316 | 268 | 0.848 | 100 | 453 | ||
C3H3N | acrylonitrile | 1 | A' | 3287 | 3125 | 0.951 | 101 | 454 |
2 | A' | 3242 | 3078 | 0.949 | 101 | 455 | ||
3 | A' | 3209 | 3042 | 0.948 | 101 | 456 | ||
4 | A' | 2367 | 2239 | 0.946 | 101 | 457 | ||
5 | A' | 1718 | 1615 | 0.940 | 101 | 458 | ||
6 | A' | 1478 | 1416 | 0.958 | 101 | 459 | ||
7 | A' | 1341 | 1282 | 0.956 | 101 | 460 | ||
8 | A' | 1128 | 1096 | 0.971 | 101 | 461 | ||
9 | A' | 892 | 869 | 0.974 | 101 | 462 | ||
10 | A' | 573 | 570 | 0.994 | 101 | 463 | ||
11 | A' | 237 | 242 | 1.022 | 101 | 464 | ||
12 | A" | 1031 | 972 | 0.943 | 101 | 465 | ||
13 | A" | 1028 | 954 | 0.928 | 101 | 466 | ||
14 | A" | 731 | 683 | 0.934 | 101 | 467 | ||
15 | A" | 362 | 362 | 0.999 | 101 | 468 | ||
CH2N4 | 1H-Tetrazole | 1 | A' | 3741 | 3447 | 0.921 | 102 | 469 |
2 | A' | 3343 | 3102 | 0.928 | 102 | 470 | ||
3 | A' | 1564 | 1441 | 0.921 | 102 | 471 | ||
4 | A' | 1515 | 1384 | 0.913 | 102 | 472 | ||
5 | A' | 1360 | 1259 | 0.926 | 102 | 473 | ||
6 | A' | 1313 | 1159 | 0.883 | 102 | 474 | ||
7 | A' | 1180 | 1084 | 0.919 | 102 | 475 | ||
8 | A' | 1104 | 1015 | 0.919 | 102 | 476 | ||
9 | A' | 1087 | 1002 | 0.922 | 102 | 477 | ||
10 | A' | 1034 | 969 | 0.937 | 102 | 478 | ||
11 | A' | 996 | 925 | 0.929 | 102 | 479 | ||
12 | A" | 931 | 906 | 0.973 | 102 | 480 | ||
13 | A" | 759 | 663 | 0.874 | 102 | 481 | ||
14 | A" | 708 | 658 | 0.929 | 102 | 482 | ||
15 | A" | 609 | 578 | 0.949 | 102 | 483 | ||
CH3PH2 | Methyl phosphine | 1 | A' | 3166 | 3000 | 0.947 | 103 | 484 |
2 | A' | 3090 | 2938 | 0.951 | 103 | 485 | ||
3 | A' | 2424 | 2297 | 0.947 | 103 | 486 | ||
4 | A' | 1505 | 1450 | 0.963 | 103 | 487 | ||
5 | A' | 1355 | 1238 | 0.914 | 103 | 488 | ||
6 | A' | 1137 | 1086 | 0.955 | 103 | 489 | ||
7 | A' | 1014 | 977 | 0.964 | 103 | 490 | ||
8 | A' | 752 | 740 | 0.985 | 103 | 491 | ||
9 | A' | 701 | 677 | 0.966 | 103 | 492 | ||
10 | A" | 3150 | 2992 | 0.950 | 103 | 493 | ||
11 | A" | 2430 | 2312 | 0.951 | 103 | 494 | ||
12 | A" | 1511 | 1450 | 0.960 | 103 | 495 | ||
13 | A" | 1055 | 1017 | 0.964 | 103 | 496 | ||
15 | A" | 243 | 207 | 0.853 | 103 | 497 | ||
CH3CHO | Acetaldehyde | 1 | A' | 3179 | 3014 | 0.948 | 104 | 498 |
2 | A' | 3078 | 2923 | 0.950 | 104 | 499 | ||
3 | A' | 2974 | 2716 | 0.913 | 104 | 500 | ||
4 | A' | 1854 | 1743 | 0.940 | 104 | 501 | ||
5 | A' | 1496 | 1433 | 0.958 | 104 | 502 | ||
6 | A' | 1467 | 1395 | 0.951 | 104 | 503 | ||
7 | A' | 1414 | 1352 | 0.956 | 104 | 504 | ||
8 | A' | 1157 | 1114 | 0.963 | 104 | 505 | ||
9 | A' | 917 | 867 | 0.945 | 104 | 506 | ||
10 | A' | 516 | 509 | 0.986 | 104 | 507 | ||
11 | A" | 3129 | 2964 | 0.947 | 104 | 508 | ||
12 | A" | 1508 | 1431 | 0.949 | 104 | 509 | ||
13 | A" | 1166 | 1102 | 0.945 | 104 | 510 | ||
14 | A" | 803 | 764 | 0.952 | 104 | 511 | ||
15 | A" | 170 | 150 | 0.884 | 104 | 512 | ||
C2H4O | Ethylene oxide | 1 | A1 | 3162 | 3006 | 0.951 | 105 | 513 |
2 | A1 | 1583 | 1467 | 0.927 | 105 | 514 | ||
3 | A1 | 1336 | 1267 | 0.948 | 105 | 515 | ||
4 | A1 | 1192 | 1146 | 0.962 | 105 | 516 | ||
5 | A1 | 929 | 857 | 0.922 | 105 | 517 | ||
6 | A2 | 3220 | 3063 | 0.951 | 105 | 518 | ||
7 | A2 | 1196 | 1050 | 0.878 | 105 | 519 | ||
8 | A2 | 1077 | 1020 | 0.947 | 105 | 520 | ||
9 | B1 | 3236 | 3065 | 0.947 | 105 | 521 | ||
10 | B1 | 1206 | 1146 | 0.951 | 105 | 522 | ||
11 | B1 | 832 | 797 | 0.958 | 105 | 523 | ||
12 | B2 | 3151 | 3006 | 0.954 | 105 | 524 | ||
13 | B2 | 1541 | 1459 | 0.947 | 105 | 525 | ||
14 | B2 | 1189 | 1159 | 0.975 | 105 | 526 | ||
15 | B2 | 890 | 824 | 0.926 | 105 | 527 | ||
CH3ONO | Methyl nitrite | 1 | A' | 3203 | 3037 | 0.948 | 106 | 528 |
2 | A' | 3102 | 2950 | 0.951 | 106 | 529 | ||
3 | A' | 1728 | 1613 | 0.934 | 106 | 530 | ||
4 | A' | 1531 | 1454 | 0.950 | 106 | 531 | ||
5 | A' | 1481 | 1408 | 0.950 | 106 | 532 | ||
6 | A' | 1223 | 1239 | 1.012 | 106 | 533 | ||
7 | A' | 1080 | 991 | 0.917 | 106 | 534 | ||
8 | A' | 909 | 838 | 0.921 | 106 | 535 | ||
9 | A' | 752 | 627 | 0.834 | 106 | 536 | ||
10 | A' | 378 | 346 | 0.915 | 106 | 537 | ||
11 | A" | 3163 | 2991 | 0.945 | 106 | 538 | ||
12 | A" | 1518 | 1438 | 0.948 | 106 | 539 | ||
13 | A" | 1192 | 1143 | 0.959 | 106 | 540 | ||
14 | A" | 359 | 106 | 541 | ||||
15 | A" | 232 | 186 | 0.803 | 106 | 542 | ||
C2H4S | Thiirane | 1 | A1 | 3187 | 3014 | 0.945 | 107 | 543 |
2 | A1 | 1531 | 1457 | 0.952 | 107 | 544 | ||
5 | A1 | 662 | 627 | 0.947 | 107 | 545 | ||
11 | B1 | 848 | 824 | 0.972 | 107 | 546 | ||
12 | B2 | 3182 | 3013 | 0.947 | 107 | 547 | ||
14 | B2 | 1107 | 1051 | 0.949 | 107 | 548 | ||
CH3COF | Acetyl fluoride | 1 | A' | 3206 | 3043 | 0.949 | 108 | 549 |
2 | A' | 3107 | 2955 | 0.951 | 108 | 550 | ||
3 | A' | 1965 | 1870 | 0.952 | 108 | 551 | ||
4 | A' | 1503 | 1440 | 0.958 | 108 | 552 | ||
5 | A' | 1439 | 1378 | 0.957 | 108 | 553 | ||
6 | A' | 1262 | 1188 | 0.942 | 108 | 554 | ||
7 | A' | 1038 | 1000 | 0.963 | 108 | 555 | ||
8 | A' | 882 | 826 | 0.937 | 108 | 556 | ||
9 | A' | 623 | 598 | 0.959 | 108 | 557 | ||
10 | A' | 424 | 420 | 0.990 | 108 | 558 | ||
11 | A" | 3163 | 3004 | 0.950 | 108 | 559 | ||
12 | A" | 1513 | 1437 | 0.950 | 108 | 560 | ||
13 | A" | 1094 | 1054 | 0.963 | 108 | 561 | ||
14 | A" | 594 | 567 | 0.954 | 108 | 562 | ||
15 | A" | 146 | 123 | 0.842 | 108 | 563 | ||
CH3COCl | Acetyl Chloride | 1 | A' | 3192 | 3027 | 0.948 | 109 | 564 |
2 | A' | 3103 | 2948 | 0.950 | 109 | 565 | ||
3 | A' | 1919 | 1818 | 0.947 | 109 | 566 | ||
4 | A' | 1498 | 1415 | 0.944 | 109 | 567 | ||
5 | A' | 1424 | 1368 | 0.960 | 109 | 568 | ||
6 | A' | 1151 | 1108 | 0.963 | 109 | 569 | ||
7 | A' | 993 | 956 | 0.962 | 109 | 570 | ||
8 | A' | 634 | 604 | 0.953 | 109 | 571 | ||
9 | A' | 467 | 445 | 0.953 | 109 | 572 | ||
10 | A' | 352 | 348 | 0.988 | 109 | 573 | ||
11 | A" | 3166 | 2990 | 0.944 | 109 | 574 | ||
12 | A" | 1505 | 1431 | 0.951 | 109 | 575 | ||
13 | A" | 1067 | 1032 | 0.967 | 109 | 576 | ||
14 | A" | 540 | 518 | 0.960 | 109 | 577 | ||
15 | A" | 157 | 166 | 1.059 | 109 | 578 | ||
C2H6 | Ethane | 1 | A1g | 3079 | 2954 | 0.959 | 110 | 579 |
2 | A1g | 1456 | 1388 | 0.954 | 110 | 580 | ||
3 | A1g | 1032 | 995 | 0.964 | 110 | 581 | ||
4 | A1u | 340 | 289 | 0.850 | 110 | 582 | ||
5 | A2u | 3077 | 2896 | 0.941 | 110 | 583 | ||
6 | A2u | 1430 | 1379 | 0.964 | 110 | 584 | ||
7 | Eg | 3118 | 2969 | 0.952 | 110 | 585 | ||
8 | Eg | 1537 | 1468 | 0.955 | 110 | 586 | ||
9 | Eg | 1247 | 1190 | 0.954 | 110 | 587 | ||
10 | Eu | 3141 | 2985 | 0.950 | 110 | 588 | ||
11 | Eu | 1538 | 1469 | 0.955 | 110 | 589 | ||
12 | Eu | 836 | 822 | 0.983 | 110 | 590 | ||
CH3COOH | Acetic acid | 1 | A' | 3846 | 3583 | 0.932 | 111 | 591 |
2 | A' | 3203 | 3051 | 0.953 | 111 | 592 | ||
3 | A' | 3104 | 2944 | 0.948 | 111 | 593 | ||
4 | A' | 1892 | 1788 | 0.945 | 111 | 594 | ||
5 | A' | 1507 | 1430 | 0.949 | 111 | 595 | ||
6 | A' | 1455 | 1382 | 0.950 | 111 | 596 | ||
7 | A' | 1381 | 1264 | 0.915 | 111 | 597 | ||
8 | A' | 1248 | 1182 | 0.947 | 111 | 598 | ||
9 | A' | 1026 | 989 | 0.964 | 111 | 599 | ||
10 | A' | 893 | 847 | 0.948 | 111 | 600 | ||
11 | A' | 601 | 657 | 1.093 | 111 | 601 | ||
12 | A' | 430 | 111 | 602 | ||||
13 | A" | 3160 | 2996 | 0.948 | 111 | 603 | ||
14 | A" | 1514 | 1430 | 0.945 | 111 | 604 | ||
15 | A" | 1093 | 1048 | 0.959 | 111 | 605 | ||
16 | A" | 680 | 642 | 0.944 | 111 | 606 | ||
17 | A" | 563 | 534 | 0.948 | 111 | 607 | ||
18 | A" | 99 | 93 | 0.942 | 111 | 608 | ||
CH3OCHO | methyl formate | 1 | A' | 3197 | 3045 | 0.953 | 112 | 609 |
2 | A' | 3124 | 2969 | 0.950 | 112 | 610 | ||
3 | A' | 3105 | 2943 | 0.948 | 112 | 611 | ||
4 | A' | 1855 | 1754 | 0.946 | 112 | 612 | ||
5 | A' | 1538 | 1454 | 0.945 | 112 | 613 | ||
6 | A' | 1504 | 1445 | 0.961 | 112 | 614 | ||
7 | A' | 1445 | 1371 | 0.949 | 112 | 615 | ||
8 | A' | 1284 | 1207 | 0.940 | 112 | 616 | ||
9 | A' | 1223 | 1166 | 0.953 | 112 | 617 | ||
10 | A' | 987 | 925 | 0.937 | 112 | 618 | ||
11 | A' | 797 | 767 | 0.962 | 112 | 619 | ||
12 | A' | 316 | 318 | 1.005 | 112 | 620 | ||
13 | A" | 3167 | 3012 | 0.951 | 112 | 621 | ||
14 | A" | 1525 | 1443 | 0.946 | 112 | 622 | ||
15 | A" | 1209 | 1168 | 0.966 | 112 | 623 | ||
16 | A" | 1094 | 1032 | 0.943 | 112 | 624 | ||
17 | A" | 343 | 332 | 0.967 | 112 | 625 | ||
18 | A" | 166 | 130 | 0.785 | 112 | 626 | ||
C3H3NO | Oxazole | 1 | A' | 3353 | 3170 | 0.945 | 113 | 627 |
2 | A' | 3327 | 3144 | 0.945 | 113 | 628 | ||
3 | A' | 3315 | 3141 | 0.948 | 113 | 629 | ||
4 | A' | 1636 | 1537 | 0.940 | 113 | 630 | ||
5 | A' | 1594 | 1504 | 0.944 | 113 | 631 | ||
6 | A' | 1402 | 1324 | 0.945 | 113 | 632 | ||
7 | A' | 1316 | 1252 | 0.951 | 113 | 633 | ||
8 | A' | 1216 | 1139 | 0.937 | 113 | 634 | ||
9 | A' | 1145 | 1086 | 0.949 | 113 | 635 | ||
10 | A' | 1139 | 1078 | 0.947 | 113 | 636 | ||
11 | A' | 1104 | 1046 | 0.947 | 113 | 637 | ||
12 | A' | 946 | 899 | 0.951 | 113 | 638 | ||
13 | A' | 931 | 854 | 0.917 | 113 | 639 | ||
14 | A" | 928 | 907 | 0.978 | 113 | 640 | ||
15 | A" | 906 | 830 | 0.916 | 113 | 641 | ||
16 | A" | 807 | 750 | 0.929 | 113 | 642 | ||
17 | A" | 674 | 647 | 0.960 | 113 | 643 | ||
18 | A" | 637 | 607 | 0.953 | 113 | 644 | ||
CH3CHF2 | Ethane, 1,1-difluoro- | 1 | A' | 3176 | 3015 | 0.949 | 114 | 645 |
2 | A' | 3135 | 2975 | 0.949 | 114 | 646 | ||
3 | A' | 3102 | 2964 | 0.956 | 114 | 647 | ||
4 | A' | 1519 | 1457 | 0.959 | 114 | 648 | ||
5 | A' | 1483 | 1413 | 0.953 | 114 | 649 | ||
6 | A' | 1423 | 1357 | 0.954 | 114 | 650 | ||
7 | A' | 1203 | 1171 | 0.973 | 114 | 651 | ||
8 | A' | 1184 | 1140 | 0.963 | 114 | 652 | ||
9 | A' | 899 | 868 | 0.965 | 114 | 653 | ||
10 | A' | 586 | 569 | 0.971 | 114 | 654 | ||
11 | A' | 481 | 468 | 0.972 | 114 | 655 | ||
12 | A" | 3173 | 114 | 656 | ||||
13 | A" | 1521 | 114 | 657 | ||||
14 | A" | 1440 | 1362 | 0.946 | 114 | 658 | ||
15 | A" | 1206 | 1135 | 0.941 | 114 | 659 | ||
16 | A" | 991 | 942 | 0.950 | 114 | 660 | ||
17 | A" | 391 | 114 | 661 | ||||
18 | A" | 259 | 114 | 662 | ||||
CH3CH2Cl | Ethyl chloride | 1 | A' | 3145 | 2967 | 0.943 | 115 | 663 |
2 | A' | 3132 | 2946 | 0.941 | 115 | 664 | ||
3 | A' | 3082 | 2881 | 0.935 | 115 | 665 | ||
4 | A' | 1534 | 1463 | 0.954 | 115 | 666 | ||
5 | A' | 1527 | 1448 | 0.948 | 115 | 667 | ||
6 | A' | 1443 | 1385 | 0.960 | 115 | 668 | ||
7 | A' | 1350 | 1289 | 0.955 | 115 | 669 | ||
8 | A' | 1115 | 1081 | 0.969 | 115 | 670 | ||
9 | A' | 1015 | 974 | 0.959 | 115 | 671 | ||
10 | A' | 704 | 677 | 0.961 | 115 | 672 | ||
11 | A' | 338 | 336 | 0.994 | 115 | 673 | ||
12 | A" | 3178 | 3014 | 0.948 | 115 | 674 | ||
13 | A" | 3150 | 2986 | 0.948 | 115 | 675 | ||
14 | A" | 1520 | 1448 | 0.952 | 115 | 676 | ||
15 | A" | 1306 | 1251 | 0.958 | 115 | 677 | ||
16 | A" | 1104 | 974 | 0.882 | 115 | 678 | ||
17 | A" | 802 | 786 | 0.980 | 115 | 679 | ||
18 | A" | 282 | 251 | 0.890 | 115 | 680 | ||
CH2CHCH3 | Propene | 1 | A' | 3254 | 3090 | 0.950 | 116 | 681 |
2 | A' | 3194 | 3013 | 0.943 | 116 | 682 | ||
3 | A' | 3179 | 2991 | 0.941 | 116 | 683 | ||
4 | A' | 3135 | 2954 | 0.942 | 116 | 684 | ||
5 | A' | 3068 | 2871 | 0.936 | 116 | 685 | ||
6 | A' | 1745 | 1650 | 0.945 | 116 | 686 | ||
7 | A' | 1527 | 1470 | 0.962 | 116 | 687 | ||
8 | A' | 1483 | 1420 | 0.958 | 116 | 688 | ||
9 | A' | 1434 | 1378 | 0.961 | 116 | 689 | ||
10 | A' | 1347 | 1297 | 0.963 | 116 | 690 | ||
11 | A' | 1214 | 1171 | 0.964 | 116 | 691 | ||
12 | A' | 961 | 963 | 1.002 | 116 | 692 | ||
13 | A' | 948 | 920 | 0.970 | 116 | 693 | ||
14 | A' | 427 | 428 | 1.002 | 116 | 694 | ||
15 | A" | 3113 | 2954 | 0.949 | 116 | 695 | ||
16 | A" | 1514 | 1443 | 0.953 | 116 | 696 | ||
17 | A" | 1097 | 1045 | 0.953 | 116 | 697 | ||
18 | A" | 1046 | 991 | 0.948 | 116 | 698 | ||
19 | A" | 972 | 912 | 0.938 | 116 | 699 | ||
20 | A" | 607 | 578 | 0.953 | 116 | 700 | ||
21 | A" | 210 | 174 | 0.828 | 116 | 701 | ||
CH3CH2OH | Ethanol | 1 | A' | 3919 | 3653 | 0.932 | 117 | 702 |
2 | A' | 3145 | 2984 | 0.949 | 117 | 703 | ||
3 | A' | 3085 | 2939 | 0.953 | 117 | 704 | ||
4 | A' | 3044 | 2900 | 0.953 | 117 | 705 | ||
5 | A' | 1568 | 1490 | 0.950 | 117 | 706 | ||
6 | A' | 1535 | 1464 | 0.954 | 117 | 707 | ||
7 | A' | 1497 | 1412 | 0.943 | 117 | 708 | ||
8 | A' | 1430 | 1371 | 0.959 | 117 | 709 | ||
9 | A' | 1305 | 1256 | 0.963 | 117 | 710 | ||
10 | A' | 1151 | 1091 | 0.948 | 117 | 711 | ||
11 | A' | 1070 | 1028 | 0.960 | 117 | 712 | ||
12 | A' | 930 | 888 | 0.954 | 117 | 713 | ||
13 | A' | 424 | 417 | 0.982 | 117 | 714 | ||
14 | A" | 3150 | 2991 | 0.950 | 117 | 715 | ||
15 | A" | 3057 | 2910 | 0.952 | 117 | 716 | ||
16 | A" | 1517 | 1446 | 0.953 | 117 | 717 | ||
17 | A" | 1336 | 1275 | 0.955 | 117 | 718 | ||
18 | A" | 1214 | 1161 | 0.957 | 117 | 719 | ||
19 | A" | 834 | 812 | 0.974 | 117 | 720 | ||
20 | A" | 298 | 251 | 0.843 | 117 | 721 | ||
21 | A" | 261 | 200 | 0.767 | 117 | 722 | ||
CH3OCH3 | Dimethyl ether | 1 | A1 | 3155 | 2996 | 0.950 | 118 | 723 |
2 | A1 | 3029 | 2817 | 0.930 | 118 | 724 | ||
3 | A1 | 1554 | 1464 | 0.942 | 118 | 725 | ||
4 | A1 | 1524 | 1452 | 0.953 | 118 | 726 | ||
5 | A1 | 1299 | 1244 | 0.958 | 118 | 727 | ||
6 | A1 | 989 | 928 | 0.938 | 118 | 728 | ||
7 | A1 | 424 | 418 | 0.985 | 118 | 729 | ||
8 | A2 | 3062 | 2952 | 0.964 | 118 | 730 | ||
9 | A2 | 1519 | 1464 | 0.963 | 118 | 731 | ||
10 | A2 | 1189 | 1150 | 0.967 | 118 | 732 | ||
11 | A2 | 210 | 203 | 0.967 | 118 | 733 | ||
12 | B1 | 3057 | 2925 | 0.957 | 118 | 734 | ||
13 | B1 | 1528 | 1464 | 0.958 | 118 | 735 | ||
14 | B1 | 1223 | 1179 | 0.964 | 118 | 736 | ||
15 | B1 | 254 | 242 | 0.951 | 118 | 737 | ||
16 | B2 | 3153 | 2996 | 0.950 | 118 | 738 | ||
17 | B2 | 3019 | 2817 | 0.933 | 118 | 739 | ||
18 | B2 | 1536 | 1464 | 0.953 | 118 | 740 | ||
19 | B2 | 1488 | 1452 | 0.976 | 118 | 741 | ||
20 | B2 | 1247 | 1227 | 0.984 | 118 | 742 | ||
21 | B2 | 1151 | 1102 | 0.958 | 118 | 743 | ||
CH3CH2SH | ethanethiol | 1 | A' | 3141 | 2966 | 0.944 | 119 | 744 |
2 | A' | 3113 | 2872 | 0.923 | 119 | 745 | ||
3 | A' | 3081 | 2872 | 0.932 | 119 | 746 | ||
4 | A' | 2732 | 2580 | 0.944 | 119 | 747 | ||
5 | A' | 1537 | 1453 | 0.946 | 119 | 748 | ||
6 | A' | 1527 | 1453 | 0.952 | 119 | 749 | ||
7 | A' | 1441 | 1385 | 0.961 | 119 | 750 | ||
8 | A' | 1334 | 1309 | 0.981 | 119 | 751 | ||
9 | A' | 1138 | 1097 | 0.964 | 119 | 752 | ||
10 | A' | 1024 | 978 | 0.956 | 119 | 753 | ||
11 | A' | 884 | 870 | 0.984 | 119 | 754 | ||
12 | A' | 704 | 660 | 0.938 | 119 | 755 | ||
13 | A' | 308 | 332 | 1.076 | 119 | 756 | ||
14 | A" | 3154 | 2966 | 0.941 | 119 | 757 | ||
15 | A" | 3130 | 2930 | 0.936 | 119 | 758 | ||
16 | A" | 1527 | 1453 | 0.951 | 119 | 759 | ||
17 | A" | 1298 | 1269 | 0.978 | 119 | 760 | ||
18 | A" | 1071 | 1049 | 0.980 | 119 | 761 | ||
19 | A" | 803 | 745 | 0.928 | 119 | 762 | ||
CH3SCH3 | Dimethyl sulfide | 1 | A1 | 3163 | 2997 | 0.948 | 120 | 763 |
2 | A1 | 3080 | 2925 | 0.950 | 120 | 764 | ||
3 | A1 | 1521 | 1447 | 0.952 | 120 | 765 | ||
4 | A1 | 1395 | 1337 | 0.958 | 120 | 766 | ||
5 | A1 | 1067 | 1030 | 0.965 | 120 | 767 | ||
6 | A1 | 724 | 695 | 0.959 | 120 | 768 | ||
7 | A1 | 268 | 280 | 1.045 | 120 | 769 | ||
8 | A2 | 3147 | 2970 | 0.944 | 120 | 770 | ||
9 | A2 | 1497 | 1427 | 0.953 | 120 | 771 | ||
10 | A2 | 969 | 946 | 0.976 | 120 | 772 | ||
11 | A2 | 178 | 175 | 0.985 | 120 | 773 | ||
12 | B1 | 3140 | 2970 | 0.946 | 120 | 774 | ||
13 | B1 | 1506 | 1439 | 0.955 | 120 | 775 | ||
14 | B1 | 1005 | 973 | 0.968 | 120 | 776 | ||
15 | B1 | 188 | 183 | 0.976 | 120 | 777 | ||
16 | B2 | 3163 | 2999 | 0.948 | 120 | 778 | ||
17 | B2 | 3083 | 2919 | 0.947 | 120 | 779 | ||
18 | B2 | 1513 | 1442 | 0.953 | 120 | 780 | ||
19 | B2 | 1371 | 1315 | 0.959 | 120 | 781 | ||
20 | B2 | 926 | 903 | 0.975 | 120 | 782 | ||
21 | B2 | 779 | 742 | 0.952 | 120 | 783 | ||
CHCCH2CH3 | 1-Butyne | 1 | A' | 3505 | 3332 | 0.951 | 121 | 784 |
2 | A' | 3144 | 2988 | 0.950 | 121 | 785 | ||
3 | A' | 3085 | 121 | 786 | ||||
4 | A' | 3083 | 121 | 787 | ||||
5 | A' | 2237 | 2116 | 0.946 | 121 | 788 | ||
6 | A' | 1538 | 1470 | 0.956 | 121 | 789 | ||
7 | A' | 1514 | 1446 | 0.955 | 121 | 790 | ||
8 | A' | 1441 | 1385 | 0.961 | 121 | 791 | ||
9 | A' | 1385 | 1322 | 0.954 | 121 | 792 | ||
10 | A' | 1115 | 1070 | 0.959 | 121 | 793 | ||
11 | A' | 1054 | 1008 | 0.956 | 121 | 794 | ||
12 | A' | 864 | 840 | 0.973 | 121 | 795 | ||
13 | A' | 686 | 634 | 0.925 | 121 | 796 | ||
14 | A' | 526 | 509 | 0.967 | 121 | 797 | ||
15 | A' | 204 | 197 | 0.962 | 121 | 798 | ||
16 | A" | 3150 | 2988 | 0.949 | 121 | 799 | ||
17 | A" | 3103 | 2939 | 0.947 | 121 | 800 | ||
18 | A" | 1530 | 1462 | 0.955 | 121 | 801 | ||
19 | A" | 1320 | 1261 | 0.956 | 121 | 802 | ||
20 | A" | 1133 | 1090 | 0.962 | 121 | 803 | ||
21 | A" | 800 | 782 | 0.977 | 121 | 804 | ||
22 | A" | 685 | 630 | 0.920 | 121 | 805 | ||
23 | A" | 372 | 344 | 0.923 | 121 | 806 | ||
24 | A" | 238 | 213 | 0.895 | 121 | 807 | ||
CH2CCHCH3 | 1,2-Butadiene | 1 | A' | 3189 | 3061 | 0.960 | 122 | 808 |
2 | A' | 3183 | 3010 | 0.946 | 122 | 809 | ||
3 | A' | 3150 | 2965 | 0.941 | 122 | 810 | ||
4 | A' | 3072 | 2905 | 0.946 | 122 | 811 | ||
5 | A' | 2085 | 1970 | 0.945 | 122 | 812 | ||
6 | A' | 1538 | 1453 | 0.944 | 122 | 813 | ||
7 | A' | 1511 | 1437 | 0.951 | 122 | 814 | ||
8 | A' | 1438 | 1389 | 0.966 | 122 | 815 | ||
9 | A' | 1394 | 1330 | 0.954 | 122 | 816 | ||
10 | A' | 1171 | 1132 | 0.967 | 122 | 817 | ||
11 | A' | 1114 | 1074 | 0.964 | 122 | 818 | ||
12 | A' | 909 | 876 | 0.963 | 122 | 819 | ||
13 | A' | 895 | 859 | 0.960 | 122 | 820 | ||
14 | A' | 568 | 555 | 0.977 | 122 | 821 | ||
15 | A' | 207 | 210 | 1.014 | 122 | 822 | ||
16 | A" | 3245 | 3061 | 0.943 | 122 | 823 | ||
17 | A" | 3118 | 2965 | 0.951 | 122 | 824 | ||
18 | A" | 1518 | 1453 | 0.957 | 122 | 825 | ||
19 | A" | 1086 | 1110 | 1.022 | 122 | 826 | ||
20 | A" | 1044 | 1011 | 0.969 | 122 | 827 | ||
21 | A" | 920 | 842 | 0.915 | 122 | 828 | ||
22 | A" | 553 | 523 | 0.945 | 122 | 829 | ||
23 | A" | 335 | 322 | 0.961 | 122 | 830 | ||
C4H6 | Cyclobutene | 1 | A1 | 3263 | 3060 | 0.938 | 123 | 831 |
2 | A1 | 3096 | 2935 | 0.948 | 123 | 832 | ||
3 | A1 | 1660 | 1570 | 0.946 | 123 | 833 | ||
4 | A1 | 1523 | 1450 | 0.952 | 123 | 834 | ||
5 | A1 | 1251 | 1276 | 1.020 | 123 | 835 | ||
6 | A1 | 1161 | 1186 | 1.021 | 123 | 836 | ||
7 | A1 | 1025 | 1113 | 1.086 | 123 | 837 | ||
8 | A1 | 919 | 886 | 0.964 | 123 | 838 | ||
9 | A2 | 3117 | 2955 | 0.948 | 123 | 839 | ||
10 | A2 | 1200 | 1276 | 1.063 | 123 | 840 | ||
11 | A2 | 1050 | 1081 | 1.029 | 123 | 841 | ||
12 | A2 | 957 | 850 | 0.888 | 123 | 842 | ||
13 | A2 | 315 | 325 | 1.033 | 123 | 843 | ||
14 | B1 | 3132 | 2955 | 0.943 | 123 | 844 | ||
15 | B1 | 1124 | 1074 | 0.955 | 123 | 845 | ||
16 | B1 | 888 | 846 | 0.953 | 123 | 846 | ||
17 | B1 | 667 | 635 | 0.952 | 123 | 847 | ||
18 | B2 | 3223 | 3047 | 0.945 | 123 | 848 | ||
19 | B2 | 3088 | 2916 | 0.944 | 123 | 849 | ||
20 | B2 | 1499 | 1427 | 0.952 | 123 | 850 | ||
21 | B2 | 1354 | 1294 | 0.955 | 123 | 851 | ||
22 | B2 | 1263 | 1214 | 0.961 | 123 | 852 | ||
23 | B2 | 923 | 888 | 0.962 | 123 | 853 | ||
24 | B2 | 875 | 740 | 0.846 | 123 | 854 | ||
C4H6 | Bicyclo[1.1.0]butane | 1 | A1 | 3311 | 3131 | 0.946 | 124 | 855 |
2 | A1 | 3207 | 3044 | 0.949 | 124 | 856 | ||
3 | A1 | 3118 | 2935 | 0.941 | 124 | 857 | ||
4 | A1 | 1568 | 1501 | 0.958 | 124 | 858 | ||
5 | A1 | 1335 | 1266 | 0.949 | 124 | 859 | ||
6 | A1 | 1138 | 1081 | 0.949 | 124 | 860 | ||
7 | A1 | 908 | 839 | 0.924 | 124 | 861 | ||
8 | A1 | 732 | 657 | 0.898 | 124 | 862 | ||
9 | A1 | 445 | 423 | 0.949 | 124 | 863 | ||
10 | A2 | 1211 | 1172 | 0.968 | 124 | 864 | ||
11 | A2 | 1119 | 1063 | 0.950 | 124 | 865 | ||
12 | A2 | 948 | 909 | 0.958 | 124 | 866 | ||
13 | A2 | 883 | 838 | 0.949 | 124 | 867 | ||
14 | B1 | 3298 | 3120 | 0.946 | 124 | 868 | ||
15 | B1 | 1199 | 1110 | 0.925 | 124 | 869 | ||
16 | B1 | 1171 | 1092 | 0.933 | 124 | 870 | ||
17 | B1 | 1042 | 980 | 0.941 | 124 | 871 | ||
18 | B1 | 779 | 737 | 0.946 | 124 | 872 | ||
19 | B2 | 3208 | 3044 | 0.949 | 124 | 873 | ||
20 | B2 | 3122 | 2969 | 0.951 | 124 | 874 | ||
21 | B2 | 1528 | 1485 | 0.971 | 124 | 875 | ||
22 | B2 | 1352 | 1261 | 0.933 | 124 | 876 | ||
23 | B2 | 1126 | 1081 | 0.960 | 124 | 877 | ||
24 | B2 | 971 | 935 | 0.964 | 124 | 878 | ||
CH3CH2NH2 | Ethylamine | 1 | A' | 3539 | 3345 | 0.945 | 125 | 879 |
2 | A' | 3123 | 2985 | 0.956 | 125 | 880 | ||
3 | A' | 3083 | 2840 | 0.921 | 125 | 881 | ||
4 | A' | 3063 | 2860 | 0.934 | 125 | 882 | ||
5 | A' | 1687 | 1622 | 0.961 | 125 | 883 | ||
6 | A' | 1539 | 1487 | 0.966 | 125 | 884 | ||
7 | A' | 1520 | 1465 | 0.964 | 125 | 885 | ||
8 | A' | 1437 | 1378 | 0.959 | 125 | 886 | ||
9 | A' | 1407 | 1397 | 0.993 | 125 | 887 | ||
10 | A' | 1179 | 1016 | 0.862 | 125 | 888 | ||
11 | A' | 1107 | 1086 | 0.981 | 125 | 889 | ||
12 | A' | 920 | 892 | 0.970 | 125 | 890 | ||
13 | A' | 890 | 773 | 0.869 | 125 | 891 | ||
14 | A' | 406 | 403 | 0.993 | 125 | 892 | ||
15 | A" | 3616 | 3412 | 0.944 | 125 | 893 | ||
16 | A" | 3124 | 2924 | 0.936 | 125 | 894 | ||
17 | A" | 3094 | 2906 | 0.939 | 125 | 895 | ||
18 | A" | 1526 | 1455 | 0.953 | 125 | 896 | ||
19 | A" | 1417 | 1238 | 0.874 | 125 | 897 | ||
20 | A" | 1297 | 1293 | 0.997 | 125 | 898 | ||
21 | A" | 1024 | 1117 | 1.091 | 125 | 899 | ||
22 | A" | 790 | 816 | 1.033 | 125 | 900 | ||
23 | A" | 301 | 259 | 0.862 | 125 | 901 | ||
24 | A" | 261 | 218 | 0.836 | 125 | 902 | ||
C3H6O | 2-Propen-1-ol | 1 | A | 3918 | 3675 | 0.938 | 126 | 903 |
2 | A | 3257 | 3102 | 0.952 | 126 | 904 | ||
3 | A | 3207 | 3022 | 0.942 | 126 | 905 | ||
4 | A | 3185 | 2995 | 0.940 | 126 | 906 | ||
5 | A | 3063 | 2934 | 0.958 | 126 | 907 | ||
6 | A | 3036 | 2866 | 0.944 | 126 | 908 | ||
7 | A | 1750 | 1654 | 0.945 | 126 | 909 | ||
8 | A | 1549 | 1453 | 0.938 | 126 | 910 | ||
9 | A | 1510 | 1414 | 0.936 | 126 | 911 | ||
10 | A | 1456 | 1384 | 0.950 | 126 | 912 | ||
11 | A | 1334 | 1320 | 0.989 | 126 | 913 | ||
12 | A | 1311 | 1293 | 0.986 | 126 | 914 | ||
13 | A | 1267 | 1191 | 0.940 | 126 | 915 | ||
14 | A | 1190 | 1132 | 0.951 | 126 | 916 | ||
15 | A | 1115 | 1110 | 0.995 | 126 | 917 | ||
16 | A | 1051 | 1038 | 0.987 | 126 | 918 | ||
17 | A | 993 | 995 | 1.002 | 126 | 919 | ||
18 | A | 983 | 919 | 0.935 | 126 | 920 | ||
19 | A | 939 | 885 | 0.942 | 126 | 921 | ||
20 | A | 673 | 606 | 0.900 | 126 | 922 | ||
22 | A | 340 | 377 | 1.109 | 126 | 923 | ||
23 | A | 253 | 277 | 1.094 | 126 | 924 | ||
24 | A | 113 | 188 | 1.663 | 126 | 925 | ||
CH3CH2CHO | Propanal | 1 | A' | 3151 | 2981 | 0.946 | 127 | 926 |
2 | A' | 3093 | 2904 | 0.939 | 127 | 927 | ||
3 | A' | 3067 | 2895 | 0.944 | 127 | 928 | ||
4 | A' | 2973 | 2809 | 0.945 | 127 | 929 | ||
5 | A' | 1850 | 1743 | 0.942 | 127 | 930 | ||
6 | A' | 1534 | 1460 | 0.952 | 127 | 931 | ||
7 | A' | 1493 | 1416 | 0.949 | 127 | 932 | ||
8 | A' | 1462 | 1390 | 0.951 | 127 | 933 | ||
9 | A' | 1444 | 1376 | 0.953 | 127 | 934 | ||
10 | A' | 1407 | 1335 | 0.949 | 127 | 935 | ||
11 | A' | 1142 | 1093 | 0.957 | 127 | 936 | ||
12 | A' | 1029 | 993 | 0.965 | 127 | 937 | ||
13 | A' | 886 | 848 | 0.957 | 127 | 938 | ||
14 | A' | 686 | 668 | 0.974 | 127 | 939 | ||
15 | A' | 263 | 271 | 1.030 | 127 | 940 | ||
16 | A" | 3153 | 2992 | 0.949 | 127 | 941 | ||
17 | A" | 3080 | 2942 | 0.955 | 127 | 942 | ||
18 | A" | 1528 | 1451 | 0.950 | 127 | 943 | ||
19 | A" | 1312 | 1250 | 0.953 | 127 | 944 | ||
20 | A" | 1180 | 1118 | 0.947 | 127 | 945 | ||
21 | A" | 932 | 892 | 0.958 | 127 | 946 | ||
22 | A" | 693 | 660 | 0.952 | 127 | 947 | ||
23 | A" | 256 | 220 | 0.859 | 127 | 948 | ||
24 | A" | 154 | 135 | 0.875 | 127 | 949 | ||
C3H6S | Thietane | 1 | A' | 3166 | 2994 | 0.946 | 128 | 950 |
2 | A' | 3134 | 2972 | 0.948 | 128 | 951 | ||
3 | A' | 3112 | 2946 | 0.947 | 128 | 952 | ||
4 | A' | 3097 | 2903 | 0.937 | 128 | 953 | ||
5 | A' | 1541 | 1470 | 0.954 | 128 | 954 | ||
6 | A' | 1514 | 1452 | 0.959 | 128 | 955 | ||
7 | A' | 1286 | 1224 | 0.952 | 128 | 956 | ||
8 | A' | 1232 | 1183 | 0.961 | 128 | 957 | ||
9 | A' | 1009 | 975 | 0.966 | 128 | 958 | ||
10 | A' | 971 | 933 | 0.961 | 128 | 959 | ||
11 | A' | 885 | 845 | 0.955 | 128 | 960 | ||
12 | A' | 719 | 700 | 0.973 | 128 | 961 | ||
13 | A' | 545 | 529 | 0.971 | 128 | 962 | ||
14 | A' | 173 | 128 | 963 | ||||
15 | A" | 3163 | 2994 | 0.947 | 128 | 964 | ||
16 | A" | 3114 | 2950 | 0.947 | 128 | 965 | ||
17 | A" | 1515 | 1454 | 0.959 | 128 | 966 | ||
18 | A" | 1338 | 1281 | 0.957 | 128 | 967 | ||
19 | A" | 1282 | 1229 | 0.959 | 128 | 968 | ||
20 | A" | 1217 | 1165 | 0.957 | 128 | 969 | ||
21 | A" | 1054 | 1011 | 0.959 | 128 | 970 | ||
22 | A" | 1010 | 986 | 0.976 | 128 | 971 | ||
23 | A" | 834 | 823 | 0.986 | 128 | 972 | ||
24 | A" | 707 | 677 | 0.957 | 128 | 973 | ||
C3H8 | Propane | 1 | A1 | 3130 | 2977 | 0.951 | 129 | 974 |
2 | A1 | 3073 | 2962 | 0.964 | 129 | 975 | ||
3 | A1 | 3069 | 2887 | 0.941 | 129 | 976 | ||
4 | A1 | 1547 | 1476 | 0.954 | 129 | 977 | ||
5 | A1 | 1525 | 1462 | 0.959 | 129 | 978 | ||
6 | A1 | 1447 | 1392 | 0.962 | 129 | 979 | ||
7 | A1 | 1204 | 1158 | 0.962 | 129 | 980 | ||
8 | A1 | 902 | 869 | 0.963 | 129 | 981 | ||
9 | A1 | 371 | 369 | 0.995 | 129 | 982 | ||
10 | A2 | 3115 | 2967 | 0.952 | 129 | 983 | ||
11 | A2 | 1524 | 1451 | 0.952 | 129 | 984 | ||
12 | A2 | 1346 | 1278 | 0.950 | 129 | 985 | ||
13 | A2 | 926 | 940 | 1.015 | 129 | 986 | ||
14 | A2 | 234 | 216 | 0.922 | 129 | 987 | ||
15 | B1 | 3126 | 2973 | 0.951 | 129 | 988 | ||
16 | B1 | 3082 | 2968 | 0.963 | 129 | 989 | ||
17 | B1 | 1540 | 1472 | 0.956 | 129 | 990 | ||
18 | B1 | 1240 | 1192 | 0.961 | 129 | 991 | ||
19 | B1 | 764 | 748 | 0.979 | 129 | 992 | ||
20 | B1 | 290 | 268 | 0.925 | 129 | 993 | ||
21 | B2 | 3126 | 2968 | 0.949 | 129 | 994 | ||
22 | B2 | 3067 | 2887 | 0.941 | 129 | 995 | ||
23 | B2 | 1530 | 1464 | 0.957 | 129 | 996 | ||
24 | B2 | 1437 | 1378 | 0.959 | 129 | 997 | ||
25 | B2 | 1397 | 1338 | 0.958 | 129 | 998 | ||
26 | B2 | 1096 | 1054 | 0.962 | 129 | 999 | ||
27 | B2 | 949 | 922 | 0.972 | 129 | 1000 | ||
C3H7N | Cyclopropylamine | 1 | A' | 3550 | 3348 | 0.943 | 130 | 1001 |
2 | A' | 3270 | 3100 | 0.948 | 130 | 1002 | ||
3 | A' | 3196 | 3032 | 0.949 | 130 | 1003 | ||
4 | A' | 3143 | 2975 | 0.947 | 130 | 1004 | ||
5 | A' | 1685 | 1617 | 0.959 | 130 | 1005 | ||
6 | A' | 1547 | 1456 | 0.941 | 130 | 1006 | ||
7 | A' | 1450 | 1374 | 0.947 | 130 | 1007 | ||
8 | A' | 1273 | 1214 | 0.954 | 130 | 1008 | ||
9 | A' | 1207 | 1168 | 0.967 | 130 | 1009 | ||
10 | A' | 1078 | 1150 | 1.067 | 130 | 1010 | ||
11 | A' | 1038 | 1020 | 0.983 | 130 | 1011 | ||
12 | A' | 879 | 989 | 1.125 | 130 | 1012 | ||
13 | A' | 836 | 805 | 0.963 | 130 | 1013 | ||
14 | A' | 787 | 762 | 0.968 | 130 | 1014 | ||
15 | A' | 413 | 408 | 0.987 | 130 | 1015 | ||
16 | A" | 3626 | 3412 | 0.941 | 130 | 1016 | ||
17 | A" | 3257 | 3100 | 0.952 | 130 | 1017 | ||
18 | A" | 3187 | 3023 | 0.948 | 130 | 1018 | ||
19 | A" | 1487 | 1424 | 0.958 | 130 | 1019 | ||
20 | A" | 1296 | 1104 | 0.852 | 130 | 1020 | ||
21 | A" | 1222 | 1045 | 0.855 | 130 | 1021 | ||
22 | A" | 1164 | 1026 | 0.882 | 130 | 1022 | ||
23 | A" | 1096 | 940 | 0.857 | 130 | 1023 | ||
24 | A" | 933 | 884 | 0.948 | 130 | 1024 | ||
25 | A" | 862 | 830 | 0.963 | 130 | 1025 | ||
26 | A" | 406 | 396 | 0.976 | 130 | 1026 | ||
27 | A" | 271 | 254 | 0.938 | 130 | 1027 | ||
CH3CHCHCH3 | 2-Butene, (Z)- | 1 | A1 | 3203 | 3033 | 0.947 | 131 | 1028 |
2 | A1 | 3162 | 2965 | 0.938 | 131 | 1029 | ||
3 | A1 | 3073 | 2878 | 0.937 | 131 | 1030 | ||
4 | A1 | 1778 | 1669 | 0.939 | 131 | 1031 | ||
5 | A1 | 1530 | 1448 | 0.946 | 131 | 1032 | ||
6 | A1 | 1448 | 1397 | 0.964 | 131 | 1033 | ||
7 | A1 | 1318 | 1261 | 0.957 | 131 | 1034 | ||
8 | A1 | 1046 | 986 | 0.943 | 131 | 1035 | ||
9 | A1 | 891 | 880 | 0.988 | 131 | 1036 | ||
10 | A1 | 298 | 290 | 0.974 | 131 | 1037 | ||
11 | A2 | 3109 | 2988 | 0.961 | 131 | 1038 | ||
12 | A2 | 1516 | 1464 | 0.966 | 131 | 1039 | ||
13 | A2 | 1089 | 1037 | 0.952 | 131 | 1040 | ||
14 | A2 | 1031 | 880 | 0.854 | 131 | 1041 | ||
15 | A2 | 401 | 396 | 0.987 | 131 | 1042 | ||
17 | B1 | 3110 | 2965 | 0.953 | 131 | 1043 | ||
18 | B1 | 1522 | 1448 | 0.951 | 131 | 1044 | ||
19 | B1 | 1093 | 986 | 0.902 | 131 | 1045 | ||
20 | B1 | 731 | 673 | 0.921 | 131 | 1046 | ||
22 | B2 | 3166 | 3033 | 0.958 | 131 | 1047 | ||
23 | B2 | 3144 | 2965 | 0.943 | 131 | 1048 | ||
24 | B2 | 3070 | 2900 | 0.945 | 131 | 1049 | ||
25 | B2 | 1522 | 1448 | 0.951 | 131 | 1050 | ||
26 | B2 | 1474 | 1420 | 0.963 | 131 | 1051 | ||
27 | B2 | 1416 | 1397 | 0.987 | 131 | 1052 | ||
28 | B2 | 1181 | 1135 | 0.961 | 131 | 1053 | ||
29 | B2 | 1005 | 986 | 0.981 | 131 | 1054 | ||
30 | B2 | 570 | 583 | 1.022 | 131 | 1055 | ||
N(CH3)3 | Trimethylamine | 1 | A1 | 3106 | 2953 | 0.951 | 132 | 1056 |
2 | A1 | 2972 | 2775 | 0.934 | 132 | 1057 | ||
3 | A1 | 1535 | 1459 | 0.950 | 132 | 1058 | ||
4 | A1 | 1506 | 1444 | 0.959 | 132 | 1059 | ||
5 | A1 | 1233 | 1186 | 0.962 | 132 | 1060 | ||
6 | A1 | 869 | 828 | 0.953 | 132 | 1061 | ||
7 | A1 | 372 | 367 | 0.987 | 132 | 1062 | ||
8 | A2 | 3132 | 2977 | 0.950 | 132 | 1063 | ||
9 | A2 | 1524 | 1453 | 0.953 | 132 | 1064 | ||
10 | A2 | 1080 | 1046 | 0.969 | 132 | 1065 | ||
11 | A2 | 246 | 255 | 1.037 | 132 | 1066 | ||
12 | E | 3137 | 2981 | 0.950 | 132 | 1067 | ||
13 | E | 3101 | 2953 | 0.952 | 132 | 1068 | ||
14 | E | 2962 | 2776 | 0.937 | 132 | 1069 | ||
15 | E | 1545 | 1471 | 0.952 | 132 | 1070 | ||
16 | E | 1517 | 1444 | 0.952 | 132 | 1071 | ||
17 | E | 1463 | 1409 | 0.963 | 132 | 1072 | ||
18 | E | 1340 | 1275 | 0.952 | 132 | 1073 | ||
19 | E | 1136 | 1103 | 0.971 | 132 | 1074 | ||
20 | E | 1087 | 1043 | 0.960 | 132 | 1075 | ||
21 | E | 425 | 424 | 0.996 | 132 | 1076 | ||
22 | E | 279 | 281 | 1.006 | 132 | 1077 | ||
CH3CH(CH3)CH3 | Isobutane | 1 | A1 | 3122 | 2965 | 0.950 | 133 | 1078 |
2 | A1 | 3065 | 2904 | 0.947 | 133 | 1079 | ||
3 | A1 | 3055 | 2880 | 0.943 | 133 | 1080 | ||
4 | A1 | 1546 | 1477 | 0.956 | 133 | 1081 | ||
5 | A1 | 1452 | 1394 | 0.960 | 133 | 1082 | ||
6 | A1 | 1234 | 1177 | 0.954 | 133 | 1083 | ||
7 | A1 | 824 | 797 | 0.967 | 133 | 1084 | ||
8 | A1 | 434 | 426 | 0.983 | 133 | 1085 | ||
9 | A2 | 3121 | 133 | 1086 | ||||
10 | A2 | 1514 | 133 | 1087 | ||||
11 | A2 | 970 | 133 | 1088 | ||||
12 | A2 | 212 | 198 | 0.934 | 133 | 1089 | ||
13 | E | 3125 | 2962 | 0.948 | 133 | 1090 | ||
14 | E | 3111 | 2951 | 0.949 | 133 | 1091 | ||
15 | E | 3059 | 2887 | 0.944 | 133 | 1092 | ||
16 | E | 1538 | 1468 | 0.954 | 133 | 1093 | ||
17 | E | 1520 | 1459 | 0.960 | 133 | 1094 | ||
18 | E | 1430 | 1371 | 0.959 | 133 | 1095 | ||
19 | E | 1393 | 1330 | 0.955 | 133 | 1096 | ||
20 | E | 1222 | 1166 | 0.954 | 133 | 1097 | ||
21 | E | 1003 | 961 | 0.958 | 133 | 1098 | ||
22 | E | 940 | 918 | 0.977 | 133 | 1099 | ||
23 | E | 368 | 367 | 0.998 | 133 | 1100 | ||
24 | E | 269 | 280 | 1.042 | 133 | 1101 |
900 | |||||||||||||||||||||||||||||||||||||||||||
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0 | |||||||||||||||||||||||||||||||||||||||||||
0.70 | 0.75 | 0.80 | 0.85 | 0.90 | 0.95 | 1.00 | 1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | ||||||||||||||||||||||||||||||
Ratio of experimental frequency to calculated frequency |