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 | ||
0.958 ± 0.019 | 180 | 2243 | cccbdb |
Formula | Name | Mode | Symmetry | Frequency | Count | |||
---|---|---|---|---|---|---|---|---|
Theory | Experiment | ratio | molecules | vibrations | ||||
H2 | Hydrogen diatomic | 1 | Σg | 4429 | 4161 | 0.940 | 1 | 1 |
LiH | Lithium Hydride | 1 | Σ | 1406 | 1360 | 0.967 | 2 | 2 |
Li2 | Lithium diatomic | 1 | Σg | 338 | 346 | 1.024 | 3 | 3 |
NaH | sodium hydride | 1 | Σ | 1160 | 1133 | 0.977 | 4 | 4 |
Na2 | Sodium diatomic | 1 | Σg | 158 | 158 | 0.998 | 5 | 5 |
BeH | beryllium monohydride | 1 | Σ | 2044 | 1987 | 0.972 | 6 | 6 |
MgH | magnesium monohydride | 1 | Σ | 1485 | 1432 | 0.964 | 7 | 7 |
BH | Boron monohydride | 1 | Σ | 2338 | 2269 | 0.971 | 8 | 8 |
AlH | aluminum monohydride | 1 | Σ | 1647 | 1625 | 0.987 | 9 | 9 |
CH | Methylidyne | 1 | Σ | 2841 | 2733 | 0.962 | 10 | 10 |
C2 | Carbon diatomic | 1 | Σg | 1901 | 1827 | 0.961 | 11 | 11 |
NH | Imidogen | 1 | Σ | 3308 | 3126 | 0.945 | 12 | 12 |
CN | Cyano radical | 1 | Σ | 2184 | 2042 | 0.935 | 13 | 13 |
N2 | Nitrogen diatomic | 1 | Σg | 2485 | 2330 | 0.937 | 14 | 14 |
P2 | Phosphorus diatomic | 1 | Σg | 832 | 775 | 0.931 | 15 | 15 |
OH | Hydroxyl radical | 1 | Σ | 3767 | 3570 | 0.948 | 16 | 16 |
LiO | lithium oxide | 1 | Σ | 826 | 799 | 0.968 | 17 | 17 |
BeO | beryllium oxide | 1 | Σ | 1571 | 1435 | 0.913 | 18 | 18 |
BO | boron monoxide | 1 | Σ | 1941 | 1862 | 0.959 | 19 | 19 |
CO | Carbon monoxide | 1 | Σ | 2240 | 2143 | 0.957 | 20 | 20 |
NaO | sodium monoxide | 1 | Σ | 518 | 21 | 21 | ||
MgO | magnesium oxide | 1 | Σ | 836 | 775 | 0.927 | 22 | 22 |
HS | Mercapto radical | 1 | Σ | 2714 | 2599 | 0.958 | 23 | 23 |
HF | Hydrogen fluoride | 1 | Σ | 4162 | 3961 | 0.952 | 24 | 24 |
LiF | lithium fluoride | 1 | Σ | 913 | 896 | 0.981 | 25 | 25 |
BeF | Beryllium monofluoride | 1 | Σ | 1263 | 26 | 26 | ||
CF | Fluoromethylidyne | 1 | Σ | 1341 | 1286 | 0.959 | 27 | 27 |
NF | nitrogen fluoride | 1 | Σ | 1207 | 1123 | 0.930 | 28 | 28 |
F2 | Fluorine diatomic | 1 | Σg | 1098 | 894 | 0.814 | 29 | 29 |
NaF | sodium fluoride | 1 | Σ | 537 | 529 | 0.985 | 30 | 30 |
MgF | Magnesium monofluoride | 1 | Σ | 715 | 31 | 31 | ||
SF | Monosulfur monofluoride | 1 | Σ | 860 | 829 | 0.963 | 32 | 32 |
HCl | Hydrogen chloride | 1 | Σ | 3000 | 2886 | 0.962 | 33 | 33 |
ClF | Chlorine monofluoride | 1 | Σ | 825 | 773 | 0.937 | 34 | 34 |
AlCl | Aluminum monochloride | 1 | Σ | 470 | 478 | 1.015 | 35 | 35 |
SCl | sulfur monochloride | 1 | Σ | 592 | 577 | 0.974 | 36 | 36 |
BeH2 | beryllium dihydride | 2 | Σu | 2245 | 2159 | 0.962 | 37 | 37 |
3 | Πu | 713 | 698 | 0.979 | 37 | 38 | ||
MgH2 | magnesium dihydride | 2 | Σu | 1637 | 1572 | 0.960 | 38 | 39 |
3 | Πu | 441 | 440 | 0.998 | 38 | 40 | ||
BH2 | boron dihydride | 2 | A1 | 987 | 954 | 0.966 | 39 | 41 |
SiH2 | silicon dihydride | 1 | A1 | 2054 | 1996 | 0.972 | 40 | 42 |
2 | A1 | 1016 | 999 | 0.983 | 40 | 43 | ||
3 | B2 | 2057 | 1993 | 0.969 | 40 | 44 | ||
NH2 | Amino radical | 1 | A1 | 3393 | 3219 | 0.949 | 41 | 45 |
2 | A1 | 1545 | 1497 | 0.969 | 41 | 46 | ||
3 | B2 | 3486 | 3301 | 0.947 | 41 | 47 | ||
HCN | Hydrogen cyanide | 1 | Σ | 3471 | 3312 | 0.954 | 42 | 48 |
2 | Σ | 2222 | 2089 | 0.940 | 42 | 49 | ||
3 | Π | 772 | 712 | 0.922 | 42 | 50 | ||
HNC | hydrogen isocyanide | 1 | Σ | 3849 | 3653 | 0.949 | 43 | 51 |
2 | Σ | 2129 | 2029 | 0.953 | 43 | 52 | ||
3 | Π | 491 | 477 | 0.971 | 43 | 53 | ||
H2O | Water | 1 | A1 | 3867 | 3657 | 0.946 | 44 | 54 |
2 | A1 | 1648 | 1595 | 0.968 | 44 | 55 | ||
3 | B2 | 3970 | 3756 | 0.946 | 44 | 56 | ||
LiOH | lithium hydroxide | 1 | Σ | 4057 | 3688 | 0.909 | 45 | 57 |
2 | Σ | 963 | 871 | 0.904 | 45 | 58 | ||
3 | Π | 314 | 257 | 0.818 | 45 | 59 | ||
BeOH | beryllium monohydroxide | 2 | A' | 1287 | 1246 | 0.968 | 46 | 60 |
HBO | Boron hydride oxide | 1 | Σ | 2895 | 2850 | 0.984 | 47 | 61 |
2 | Σ | 1882 | 1826 | 0.970 | 47 | 62 | ||
3 | Π | 781 | 756 | 0.968 | 47 | 63 | ||
HCO | Formyl radical | 1 | A' | 2682 | 2434 | 0.908 | 48 | 64 |
2 | A' | 1972 | 1868 | 0.947 | 48 | 65 | ||
3 | A' | 1115 | 1081 | 0.970 | 48 | 66 | ||
HNO | Nitrosyl hydride | 1 | A' | 2899 | 2684 | 0.926 | 49 | 67 |
2 | A' | 1722 | 1565 | 0.909 | 49 | 68 | ||
3 | A' | 1583 | 1501 | 0.948 | 49 | 69 | ||
HO2 | Hydroperoxy radical | 1 | A' | 3666 | 3436 | 0.937 | 50 | 70 |
2 | A' | 1461 | 1392 | 0.952 | 50 | 71 | ||
3 | A' | 1218 | 1098 | 0.901 | 50 | 72 | ||
CO2 | Carbon dioxide | 1 | Σg | 1394 | 1333 | 0.956 | 51 | 73 |
2 | Σu | 2459 | 2349 | 0.955 | 51 | 74 | ||
3 | Πu | 684 | 667 | 0.975 | 51 | 75 | ||
N2O | Nitrous oxide | 1 | Σ | 2410 | 2224 | 0.923 | 52 | 76 |
2 | Σ | 1372 | 1285 | 0.936 | 52 | 77 | ||
3 | Π | 641 | 589 | 0.920 | 52 | 78 | ||
NaOH | sodium hydroxide | 1 | Σ | 4006 | 3637 | 0.908 | 53 | 79 |
2 | Σ | 570 | 540 | 0.947 | 53 | 80 | ||
3 | Π | 143 | 300 | 2.100 | 53 | 81 | ||
HOF | Hypofluorous acid | 1 | A' | 3799 | 3578 | 0.942 | 54 | 82 |
2 | A' | 1439 | 1362 | 0.947 | 54 | 83 | ||
3 | A' | 1037 | 893 | 0.861 | 54 | 84 | ||
CF2 | Difluoromethylene | 1 | A1 | 1265 | 1225 | 0.969 | 55 | 85 |
2 | A1 | 682 | 667 | 0.977 | 55 | 86 | ||
3 | B2 | 1159 | 1114 | 0.962 | 55 | 87 | ||
FNO | Nitrosyl fluoride | 1 | A' | 1963 | 1844 | 0.939 | 56 | 88 |
2 | A' | 831 | 766 | 0.922 | 56 | 89 | ||
3 | A' | 566 | 520 | 0.919 | 56 | 90 | ||
NF2 | Difluoroamino radical | 1 | A1 | 1145 | 1075 | 0.939 | 57 | 91 |
2 | A1 | 597 | 573 | 0.959 | 57 | 92 | ||
3 | B2 | 999 | 942 | 0.943 | 57 | 93 | ||
F2O | Difluorine monoxide | 1 | A1 | 1064 | 928 | 0.872 | 58 | 94 |
2 | A1 | 505 | 461 | 0.912 | 58 | 95 | ||
3 | B2 | 949 | 831 | 0.876 | 58 | 96 | ||
BH3 | boron trihydride | 2 | A2" | 1150 | 1148 | 0.998 | 59 | 97 |
3 | E' | 2698 | 2602 | 0.964 | 59 | 98 | ||
4 | E' | 1197 | 1197 | 0.999 | 59 | 99 | ||
C2H2 | Acetylene | 1 | Σg | 3538 | 3374 | 0.954 | 60 | 100 |
2 | Σg | 2086 | 1974 | 0.946 | 60 | 101 | ||
3 | Σu | 3432 | 3289 | 0.958 | 60 | 102 | ||
4 | Πg | 670 | 612 | 0.914 | 60 | 103 | ||
5 | Πu | 777 | 730 | 0.940 | 60 | 104 | ||
NH3 | Ammonia | 1 | A1 | 3506 | 3337 | 0.952 | 61 | 105 |
2 | A1 | 1065 | 950 | 0.892 | 61 | 106 | ||
3 | E | 3631 | 3444 | 0.949 | 61 | 107 | ||
4 | E | 1679 | 1627 | 0.969 | 61 | 108 | ||
C2N2 | Cyanogen | 1 | Σg | 2470 | 2330 | 0.943 | 62 | 109 |
2 | Σg | 892 | 846 | 0.948 | 62 | 110 | ||
3 | Σu | 2295 | 2158 | 0.940 | 62 | 111 | ||
4 | Πg | 558 | 503 | 0.902 | 62 | 112 | ||
5 | Πu | 255 | 234 | 0.919 | 62 | 113 | ||
H2CO | Formaldehyde | 1 | A1 | 2906 | 2782 | 0.957 | 63 | 114 |
2 | A1 | 1858 | 1746 | 0.940 | 63 | 115 | ||
3 | A1 | 1539 | 1500 | 0.975 | 63 | 116 | ||
4 | B1 | 1210 | 1167 | 0.965 | 63 | 117 | ||
5 | B2 | 2964 | 2843 | 0.959 | 63 | 118 | ||
6 | B2 | 1272 | 1249 | 0.982 | 63 | 119 | ||
H2O2 | Hydrogen peroxide | 1 | A | 3829 | 3599 | 0.940 | 64 | 120 |
2 | A | 1464 | 1402 | 0.958 | 64 | 121 | ||
3 | A | 1006 | 877 | 0.872 | 64 | 122 | ||
4 | A | 391 | 371 | 0.949 | 64 | 123 | ||
5 | B | 3828 | 3608 | 0.942 | 64 | 124 | ||
6 | B | 1355 | 1266 | 0.934 | 64 | 125 | ||
HNCO | Isocyanic acid | 1 | A' | 3723 | 3538 | 0.950 | 65 | 126 |
2 | A' | 2376 | 2269 | 0.955 | 65 | 127 | ||
3 | A' | 1356 | 1327 | 0.978 | 65 | 128 | ||
4 | A' | 801 | 777 | 0.969 | 65 | 129 | ||
5 | A' | 575 | 577 | 1.004 | 65 | 130 | ||
6 | A" | 647 | 656 | 1.014 | 65 | 131 | ||
HNO2 | Nitrous acid | 1 | A' | 3827 | 3591 | 0.938 | 66 | 132 |
2 | A' | 1819 | 1700 | 0.934 | 66 | 133 | ||
3 | A' | 1332 | 1263 | 0.948 | 66 | 134 | ||
4 | A' | 882 | 790 | 0.896 | 66 | 135 | ||
5 | A' | 665 | 596 | 0.895 | 66 | 136 | ||
6 | A" | 608 | 543 | 0.893 | 66 | 137 | ||
B2O2 | Diboron dioxide | 1 | Σg | 2147 | 2060 | 0.959 | 67 | 138 |
2 | Σg | 614 | 585 | 0.953 | 67 | 139 | ||
3 | Σu | 1978 | 1898 | 0.959 | 67 | 140 | ||
4 | Πg | 496 | 410 | 0.826 | 67 | 141 | ||
5 | Πu | 215 | 213 | 0.992 | 67 | 142 | ||
BHF2 | Difluoroborane | 1 | A1 | 2699 | 2621 | 0.971 | 68 | 143 |
2 | A1 | 1185 | 1164 | 0.982 | 68 | 144 | ||
3 | A1 | 542 | 542 | 1.000 | 68 | 145 | ||
4 | B1 | 930 | 924 | 0.993 | 68 | 146 | ||
5 | B2 | 1443 | 1402 | 0.971 | 68 | 147 | ||
CF2O | Carbonic difluoride | 1 | A1 | 2007 | 1928 | 0.961 | 69 | 148 |
2 | A1 | 997 | 965 | 0.968 | 69 | 149 | ||
3 | A1 | 590 | 584 | 0.990 | 69 | 150 | ||
4 | B1 | 796 | 774 | 0.973 | 69 | 151 | ||
5 | B2 | 1281 | 1249 | 0.975 | 69 | 152 | ||
6 | B2 | 629 | 626 | 0.996 | 69 | 153 | ||
BF3 | Borane, trifluoro- | 1 | A1' | 900 | 888 | 0.987 | 70 | 154 |
2 | A2" | 688 | 691 | 1.004 | 70 | 155 | ||
3 | E' | 1481 | 1449 | 0.978 | 70 | 156 | ||
4 | E' | 478 | 480 | 1.003 | 70 | 157 | ||
N2F2 | Dinitrogen difluoride, (E)- | 1 | Ag | 1657 | 1523 | 0.919 | 71 | 158 |
2 | Ag | 1106 | 1018 | 0.921 | 71 | 159 | ||
3 | Ag | 639 | 603 | 0.943 | 71 | 160 | ||
4 | Au | 383 | 364 | 0.951 | 71 | 161 | ||
5 | Bu | 1067 | 991 | 0.929 | 71 | 162 | ||
6 | Bu | 434 | 423 | 0.974 | 71 | 163 | ||
CF3 | Trifluoromethyl radical | 1 | A1 | 1110 | 1089 | 0.981 | 72 | 164 |
2 | A1 | 710 | 701 | 0.987 | 72 | 165 | ||
3 | E | 1289 | 1260 | 0.977 | 72 | 166 | ||
4 | E | 514 | 509 | 0.989 | 72 | 167 | ||
NF3 | Nitrogen trifluoride | 1 | A1 | 1091 | 1032 | 0.946 | 73 | 168 |
2 | A1 | 680 | 647 | 0.952 | 73 | 169 | ||
3 | E | 954 | 907 | 0.950 | 73 | 170 | ||
4 | E | 512 | 492 | 0.960 | 73 | 171 | ||
AlF3 | Aluminum trifluoride | 1 | A1' | 694 | 690 | 0.994 | 74 | 172 |
2 | A2" | 293 | 297 | 1.014 | 74 | 173 | ||
3 | E' | 961 | 935 | 0.973 | 74 | 174 | ||
4 | E' | 243 | 263 | 1.081 | 74 | 175 | ||
CH4 | Methane | 1 | A1 | 3050 | 2917 | 0.956 | 75 | 176 |
2 | E | 1561 | 1534 | 0.982 | 75 | 177 | ||
3 | T2 | 3168 | 3019 | 0.953 | 75 | 178 | ||
4 | T2 | 1336 | 1306 | 0.977 | 75 | 179 | ||
CH2NH | Methanimine | 1 | A' | 3477 | 3263 | 0.938 | 76 | 180 |
2 | A' | 3132 | 3024 | 0.966 | 76 | 181 | ||
3 | A' | 3037 | 2914 | 0.960 | 76 | 182 | ||
4 | A' | 1738 | 1638 | 0.943 | 76 | 183 | ||
5 | A' | 1496 | 1452 | 0.971 | 76 | 184 | ||
6 | A' | 1374 | 1344 | 0.978 | 76 | 185 | ||
7 | A' | 1074 | 1058 | 0.985 | 76 | 186 | ||
8 | A" | 1177 | 1127 | 0.958 | 76 | 187 | ||
9 | A" | 1109 | 1061 | 0.957 | 76 | 188 | ||
NH2OH | hydroxylamine | 1 | A' | 3879 | 3650 | 0.941 | 77 | 189 |
2 | A' | 3483 | 3294 | 0.946 | 77 | 190 | ||
3 | A' | 1679 | 1605 | 0.956 | 77 | 191 | ||
4 | A' | 1418 | 1353 | 0.955 | 77 | 192 | ||
5 | A' | 1158 | 1115 | 0.963 | 77 | 193 | ||
6 | A' | 976 | 895 | 0.917 | 77 | 194 | ||
7 | A" | 3564 | 3359 | 0.943 | 77 | 195 | ||
8 | A" | 1346 | 1295 | 0.962 | 77 | 196 | ||
9 | A" | 417 | 386 | 0.926 | 77 | 197 | ||
CH2CO | Ketene | 1 | A1 | 3207 | 3070 | 0.957 | 78 | 198 |
2 | A1 | 2259 | 2152 | 0.953 | 78 | 199 | ||
3 | A1 | 1413 | 1388 | 0.982 | 78 | 200 | ||
4 | A1 | 1181 | 1118 | 0.946 | 78 | 201 | ||
5 | B1 | 594 | 588 | 0.990 | 78 | 202 | ||
6 | B1 | 560 | 528 | 0.943 | 78 | 203 | ||
7 | B2 | 3305 | 3166 | 0.958 | 78 | 204 | ||
8 | B2 | 987 | 977 | 0.989 | 78 | 205 | ||
9 | B2 | 443 | 433 | 0.977 | 78 | 206 | ||
HCOOH | Formic acid | 1 | A' | 3787 | 3570 | 0.943 | 79 | 207 |
2 | A' | 3068 | 2943 | 0.959 | 79 | 208 | ||
3 | A' | 1860 | 1770 | 0.952 | 79 | 209 | ||
4 | A' | 1411 | 1387 | 0.983 | 79 | 210 | ||
5 | A' | 1323 | 1229 | 0.929 | 79 | 211 | ||
6 | A' | 1152 | 1105 | 0.959 | 79 | 212 | ||
7 | A' | 637 | 625 | 0.981 | 79 | 213 | ||
8 | A" | 1067 | 1033 | 0.968 | 79 | 214 | ||
9 | A" | 695 | 638 | 0.918 | 79 | 215 | ||
HNO3 | Nitric acid | 1 | A' | 3785 | 3550 | 0.938 | 80 | 216 |
2 | A' | 1821 | 1708 | 0.938 | 80 | 217 | ||
3 | A' | 1398 | 1331 | 0.952 | 80 | 218 | ||
4 | A' | 1348 | 1325 | 0.983 | 80 | 219 | ||
5 | A' | 951 | 879 | 0.924 | 80 | 220 | ||
6 | A' | 686 | 647 | 0.943 | 80 | 221 | ||
7 | A' | 606 | 579 | 0.955 | 80 | 222 | ||
8 | A" | 814 | 762 | 0.936 | 80 | 223 | ||
9 | A" | 512 | 456 | 0.890 | 80 | 224 | ||
CH3F | Methyl fluoride | 1 | A1 | 3045 | 2930 | 0.962 | 81 | 225 |
2 | A1 | 1493 | 1464 | 0.981 | 81 | 226 | ||
3 | A1 | 1098 | 1049 | 0.955 | 81 | 227 | ||
4 | E | 3129 | 3006 | 0.961 | 81 | 228 | ||
5 | E | 1497 | 1467 | 0.980 | 81 | 229 | ||
6 | E | 1203 | 1182 | 0.982 | 81 | 230 | ||
CH2F2 | Methane, difluoro- | 1 | A1 | 3062 | 2948 | 0.963 | 82 | 231 |
2 | A1 | 1539 | 1508 | 0.980 | 82 | 232 | ||
3 | A1 | 1143 | 1111 | 0.972 | 82 | 233 | ||
4 | A1 | 537 | 529 | 0.984 | 82 | 234 | ||
5 | A2 | 1283 | 1262 | 0.983 | 82 | 235 | ||
6 | B1 | 3133 | 3014 | 0.962 | 82 | 236 | ||
7 | B1 | 1194 | 1178 | 0.987 | 82 | 237 | ||
8 | B2 | 1470 | 1435 | 0.976 | 82 | 238 | ||
9 | B2 | 1126 | 1090 | 0.968 | 82 | 239 | ||
CHF3 | Methane, trifluoro- | 1 | A1 | 3139 | 3036 | 0.967 | 83 | 240 |
2 | A1 | 1160 | 1117 | 0.963 | 83 | 241 | ||
3 | A1 | 710 | 700 | 0.986 | 83 | 242 | ||
4 | E | 1405 | 1372 | 0.977 | 83 | 243 | ||
5 | E | 1182 | 1152 | 0.974 | 83 | 244 | ||
6 | E | 512 | 507 | 0.990 | 83 | 245 | ||
FNO3 | Fluorine nitrate | 1 | A' | 1891 | 1759 | 0.930 | 84 | 246 |
2 | A' | 1394 | 1301 | 0.933 | 84 | 247 | ||
3 | A' | 1062 | 928 | 0.874 | 84 | 248 | ||
4 | A' | 849 | 804 | 0.947 | 84 | 249 | ||
5 | A' | 696 | 633 | 0.909 | 84 | 250 | ||
6 | A' | 498 | 455 | 0.914 | 84 | 251 | ||
7 | A' | 316 | 303 | 0.958 | 84 | 252 | ||
8 | A" | 761 | 709 | 0.932 | 84 | 253 | ||
9 | A" | 171 | 152 | 0.889 | 84 | 254 | ||
CF4 | Carbon tetrafluoride | 1 | A1 | 927 | 909 | 0.980 | 85 | 255 |
2 | E | 437 | 435 | 0.996 | 85 | 256 | ||
3 | T2 | 1298 | 1283 | 0.989 | 85 | 257 | ||
4 | T2 | 635 | 631 | 0.994 | 85 | 258 | ||
C2H4 | Ethylene | 1 | Ag | 3165 | 3026 | 0.956 | 86 | 259 |
2 | Ag | 1708 | 1623 | 0.950 | 86 | 260 | ||
3 | Ag | 1385 | 1342 | 0.969 | 86 | 261 | ||
4 | Au | 1074 | 1023 | 0.953 | 86 | 262 | ||
5 | B1u | 3149 | 2989 | 0.949 | 86 | 263 | ||
6 | B1u | 1474 | 1444 | 0.980 | 86 | 264 | ||
7 | B2g | 989 | 940 | 0.950 | 86 | 265 | ||
8 | B2u | 3253 | 3105 | 0.955 | 86 | 266 | ||
9 | B2u | 831 | 826 | 0.994 | 86 | 267 | ||
10 | B3g | 3225 | 3086 | 0.957 | 86 | 268 | ||
11 | B3g | 1244 | 1217 | 0.978 | 86 | 269 | ||
12 | B3u | 983 | 949 | 0.966 | 86 | 270 | ||
C3H3 | Propargyl radical | 1 | A1 | 3480 | 3322 | 0.955 | 87 | 271 |
6 | B1 | 688 | 687 | 0.998 | 87 | 272 | ||
7 | B1 | 481 | 490 | 1.018 | 87 | 273 | ||
C4H2 | Diacetylene | 6 | Πg | 677 | 627 | 0.926 | 88 | 274 |
7 | Πg | 537 | 482 | 0.898 | 88 | 275 | ||
8 | Πu | 681 | 630 | 0.926 | 88 | 276 | ||
9 | Πu | 239 | 231 | 0.965 | 88 | 277 | ||
N2H4 | Hydrazine | 1 | A | 3601 | 3398 | 0.944 | 89 | 278 |
2 | A | 3503 | 3329 | 0.950 | 89 | 279 | ||
3 | A | 1697 | 1642 | 0.968 | 89 | 280 | ||
4 | A | 1345 | 1275 | 0.948 | 89 | 281 | ||
5 | A | 1145 | 1076 | 0.940 | 89 | 282 | ||
6 | A | 823 | 780 | 0.947 | 89 | 283 | ||
7 | A | 452 | 377 | 0.834 | 89 | 284 | ||
8 | B | 3608 | 3350 | 0.929 | 89 | 285 | ||
9 | B | 3494 | 3314 | 0.949 | 89 | 286 | ||
10 | B | 1685 | 1628 | 0.966 | 89 | 287 | ||
11 | B | 1311 | 1275 | 0.972 | 89 | 288 | ||
12 | B | 994 | 966 | 0.971 | 89 | 289 | ||
CH3CN | Acetonitrile | 1 | A1 | 3073 | 2954 | 0.961 | 90 | 290 |
2 | A1 | 2395 | 2267 | 0.946 | 90 | 291 | ||
3 | A1 | 1409 | 1385 | 0.983 | 90 | 292 | ||
4 | A1 | 947 | 920 | 0.971 | 90 | 293 | ||
5 | E | 3152 | 3009 | 0.955 | 90 | 294 | ||
6 | E | 1473 | 1448 | 0.983 | 90 | 295 | ||
7 | E | 1058 | 1041 | 0.984 | 90 | 296 | ||
8 | E | 387 | 362 | 0.936 | 90 | 297 | ||
C4N2 | 2-Butynedinitrile | 1 | Σg | 2420 | 2290 | 0.946 | 91 | 298 |
2 | Σg | 2246 | 2119 | 0.944 | 91 | 299 | ||
3 | Σg | 623 | 692 | 1.111 | 91 | 300 | ||
4 | Σu | 2379 | 2241 | 0.942 | 91 | 301 | ||
5 | Σu | 1199 | 1154 | 0.962 | 91 | 302 | ||
6 | Πg | 567 | 504 | 0.889 | 91 | 303 | ||
7 | Πg | 288 | 263 | 0.912 | 91 | 304 | ||
8 | Πu | 516 | 472 | 0.914 | 91 | 305 | ||
9 | Πu | 114 | 107 | 0.937 | 91 | 306 | ||
CH3OH | Methyl alcohol | 1 | A' | 3897 | 3681 | 0.945 | 92 | 307 |
2 | A' | 3129 | 3000 | 0.959 | 92 | 308 | ||
3 | A' | 3006 | 2844 | 0.946 | 92 | 309 | ||
4 | A' | 1514 | 1477 | 0.975 | 92 | 310 | ||
5 | A' | 1484 | 1455 | 0.980 | 92 | 311 | ||
6 | A' | 1383 | 1345 | 0.973 | 92 | 312 | ||
7 | A' | 1107 | 1060 | 0.957 | 92 | 313 | ||
8 | A' | 1068 | 1033 | 0.967 | 92 | 314 | ||
9 | A" | 3056 | 2960 | 0.969 | 92 | 315 | ||
10 | A" | 1498 | 1477 | 0.986 | 92 | 316 | ||
11 | A" | 1179 | 1165 | 0.988 | 92 | 317 | ||
12 | A" | 303 | 200 | 0.661 | 92 | 318 | ||
CHONH2 | formamide | 1 | A' | 3768 | 3564 | 0.946 | 93 | 319 |
2 | A' | 3625 | 3439 | 0.949 | 93 | 320 | ||
3 | A' | 2959 | 2854 | 0.964 | 93 | 321 | ||
4 | A' | 1837 | 1754 | 0.955 | 93 | 322 | ||
5 | A' | 1622 | 1577 | 0.972 | 93 | 323 | ||
6 | A' | 1427 | 1390 | 0.974 | 93 | 324 | ||
7 | A' | 1287 | 1258 | 0.978 | 93 | 325 | ||
8 | A' | 1063 | 1046 | 0.983 | 93 | 326 | ||
9 | A' | 569 | 581 | 1.021 | 93 | 327 | ||
10 | A" | 1055 | 1021 | 0.968 | 93 | 328 | ||
11 | A" | 652 | 603 | 0.925 | 93 | 329 | ||
12 | A" | 218 | 289 | 1.324 | 93 | 330 | ||
C2H2O2 | Ethanedial | 1 | Ag | 2969 | 2843 | 0.958 | 94 | 331 |
2 | Ag | 1841 | 1745 | 0.948 | 94 | 332 | ||
3 | Ag | 1383 | 1338 | 0.967 | 94 | 333 | ||
4 | Ag | 1087 | 1065 | 0.979 | 94 | 334 | ||
5 | Ag | 561 | 551 | 0.982 | 94 | 335 | ||
6 | Au | 816 | 801 | 0.981 | 94 | 336 | ||
7 | Au | 132 | 127 | 0.959 | 94 | 337 | ||
8 | Bg | 1090 | 1048 | 0.962 | 94 | 338 | ||
9 | Bu | 2964 | 2835 | 0.956 | 94 | 339 | ||
10 | Bu | 1837 | 1732 | 0.943 | 94 | 340 | ||
11 | Bu | 1338 | 1312 | 0.980 | 94 | 341 | ||
12 | Bu | 332 | 339 | 1.021 | 94 | 342 | ||
CH2CHF | Ethene, fluoro- | 1 | A' | 3288 | 3115 | 0.947 | 95 | 343 |
2 | A' | 3216 | 3080 | 0.958 | 95 | 344 | ||
3 | A' | 3188 | 3052 | 0.957 | 95 | 345 | ||
4 | A' | 1736 | 1654 | 0.953 | 95 | 346 | ||
5 | A' | 1418 | 1380 | 0.973 | 95 | 347 | ||
6 | A' | 1340 | 1306 | 0.975 | 95 | 348 | ||
7 | A' | 1194 | 1156 | 0.968 | 95 | 349 | ||
8 | A' | 951 | 929 | 0.977 | 95 | 350 | ||
9 | A' | 489 | 483 | 0.987 | 95 | 351 | ||
10 | A" | 980 | 940 | 0.959 | 95 | 352 | ||
11 | A" | 899 | 863 | 0.959 | 95 | 353 | ||
12 | A" | 741 | 711 | 0.959 | 95 | 354 | ||
CH2CF2 | Ethene, 1,1-difluoro- | 1 | A1 | 3220 | 3070 | 0.954 | 96 | 355 |
2 | A1 | 1801 | 1728 | 0.959 | 96 | 356 | ||
3 | A1 | 1412 | 1360 | 0.963 | 96 | 357 | ||
4 | A1 | 961 | 926 | 0.963 | 96 | 358 | ||
5 | A1 | 561 | 550 | 0.981 | 96 | 359 | ||
6 | A2 | 727 | 714 | 0.983 | 96 | 360 | ||
7 | B1 | 832 | 803 | 0.965 | 96 | 361 | ||
8 | B1 | 652 | 611 | 0.937 | 96 | 362 | ||
9 | B2 | 3324 | 3154 | 0.949 | 96 | 363 | ||
10 | B2 | 1345 | 1302 | 0.968 | 96 | 364 | ||
11 | B2 | 968 | 955 | 0.987 | 96 | 365 | ||
12 | B2 | 444 | 438 | 0.987 | 96 | 366 | ||
CF3CN | Acetonitrile, trifluoro- | 1 | A1 | 2414 | 2275 | 0.942 | 97 | 367 |
2 | A1 | 1250 | 1227 | 0.981 | 97 | 368 | ||
3 | A1 | 827 | 802 | 0.969 | 97 | 369 | ||
4 | A1 | 527 | 522 | 0.991 | 97 | 370 | ||
5 | E | 1233 | 1214 | 0.985 | 97 | 371 | ||
6 | E | 638 | 618 | 0.968 | 97 | 372 | ||
7 | E | 473 | 463 | 0.979 | 97 | 373 | ||
8 | E | 196 | 196 | 0.998 | 97 | 374 | ||
C2F4 | Tetrafluoroethylene | 1 | Ag | 1946 | 1872 | 0.962 | 98 | 375 |
2 | Ag | 814 | 778 | 0.956 | 98 | 376 | ||
3 | Ag | 404 | 394 | 0.975 | 98 | 377 | ||
4 | Au | 203 | 190 | 0.934 | 98 | 378 | ||
5 | B1u | 1217 | 1186 | 0.975 | 98 | 379 | ||
6 | B1u | 564 | 558 | 0.990 | 98 | 380 | ||
7 | B2g | 567 | 508 | 0.895 | 98 | 381 | ||
8 | B2u | 1372 | 1337 | 0.975 | 98 | 382 | ||
9 | B2u | 211 | 218 | 1.033 | 98 | 383 | ||
10 | B3g | 1376 | 1340 | 0.974 | 98 | 384 | ||
11 | B3g | 561 | 551 | 0.982 | 98 | 385 | ||
12 | B3u | 433 | 406 | 0.938 | 98 | 386 | ||
B2Cl4 | Diboron tetrachloride | 1 | A1 | 1142 | 1122 | 0.983 | 99 | 387 |
2 | A1 | 407 | 401 | 0.986 | 99 | 388 | ||
3 | A1 | 171 | 176 | 1.027 | 99 | 389 | ||
5 | B2 | 735 | 728 | 0.990 | 99 | 390 | ||
6 | B2 | 290 | 289 | 0.997 | 99 | 391 | ||
7 | E | 926 | 917 | 0.991 | 99 | 392 | ||
8 | E | 494 | 512 | 1.037 | 99 | 393 | ||
9 | E | 96 | 104 | 1.085 | 99 | 394 | ||
CH3CCH | propyne | 1 | A1 | 3493 | 3334 | 0.954 | 100 | 395 |
2 | A1 | 3055 | 2918 | 0.955 | 100 | 396 | ||
3 | A1 | 2250 | 2124 | 0.944 | 100 | 397 | ||
4 | A1 | 1411 | 1382 | 0.979 | 100 | 398 | ||
5 | A1 | 960 | 931 | 0.970 | 100 | 399 | ||
6 | E | 3123 | 3008 | 0.963 | 100 | 400 | ||
7 | E | 1477 | 1452 | 0.983 | 100 | 401 | ||
8 | E | 1053 | 1053 | 1.000 | 100 | 402 | ||
9 | E | 678 | 633 | 0.934 | 100 | 403 | ||
10 | E | 351 | 328 | 0.934 | 100 | 404 | ||
CH2CCH2 | allene | 1 | A1 | 3152 | 3015 | 0.957 | 101 | 405 |
2 | A1 | 1482 | 1443 | 0.974 | 101 | 406 | ||
3 | A1 | 1120 | 1073 | 0.958 | 101 | 407 | ||
4 | B1 | 888 | 865 | 0.974 | 101 | 408 | ||
5 | B2 | 3148 | 3007 | 0.955 | 101 | 409 | ||
6 | B2 | 2074 | 1957 | 0.944 | 101 | 410 | ||
7 | B2 | 1421 | 1398 | 0.984 | 101 | 411 | ||
8 | E | 3228 | 3086 | 0.956 | 101 | 412 | ||
9 | E | 1014 | 999 | 0.985 | 101 | 413 | ||
10 | E | 873 | 841 | 0.963 | 101 | 414 | ||
11 | E | 376 | 355 | 0.944 | 101 | 415 | ||
C3H4 | cyclopropene | 1 | A1 | 3323 | 3158 | 0.950 | 102 | 416 |
2 | A1 | 3062 | 2909 | 0.950 | 102 | 417 | ||
3 | A1 | 1752 | 1653 | 0.944 | 102 | 418 | ||
4 | A1 | 1526 | 1483 | 0.972 | 102 | 419 | ||
5 | A1 | 1179 | 1110 | 0.941 | 102 | 420 | ||
6 | A1 | 931 | 905 | 0.972 | 102 | 421 | ||
7 | A2 | 1025 | 996 | 0.971 | 102 | 422 | ||
8 | A2 | 880 | 820 | 0.932 | 102 | 423 | ||
9 | B1 | 3126 | 2995 | 0.958 | 102 | 424 | ||
10 | B1 | 1118 | 1088 | 0.973 | 102 | 425 | ||
11 | B1 | 614 | 569 | 0.926 | 102 | 426 | ||
12 | B2 | 3275 | 3124 | 0.954 | 102 | 427 | ||
13 | B2 | 1082 | 1043 | 0.964 | 102 | 428 | ||
14 | B2 | 1046 | 1011 | 0.966 | 102 | 429 | ||
15 | B2 | 814 | 769 | 0.944 | 102 | 430 | ||
CH3NH2 | methyl amine | 1 | A' | 3543 | 3361 | 0.949 | 103 | 431 |
2 | A' | 3082 | 2961 | 0.961 | 103 | 432 | ||
3 | A' | 2988 | 2820 | 0.944 | 103 | 433 | ||
4 | A' | 1668 | 1623 | 0.973 | 103 | 434 | ||
5 | A' | 1499 | 1473 | 0.982 | 103 | 435 | ||
6 | A' | 1459 | 1430 | 0.980 | 103 | 436 | ||
7 | A' | 1178 | 1130 | 0.960 | 103 | 437 | ||
8 | A' | 1086 | 1044 | 0.961 | 103 | 438 | ||
9 | A' | 844 | 780 | 0.924 | 103 | 439 | ||
10 | A" | 3623 | 3427 | 0.946 | 103 | 440 | ||
11 | A" | 3120 | 2985 | 0.957 | 103 | 441 | ||
12 | A" | 1519 | 1485 | 0.977 | 103 | 442 | ||
13 | A" | 1354 | 1335 | 0.986 | 103 | 443 | ||
14 | A" | 978 | 103 | 444 | ||||
15 | A" | 304 | 268 | 0.882 | 103 | 445 | ||
C3H3N | acrylonitrile | 1 | A' | 3274 | 3125 | 0.954 | 104 | 446 |
2 | A' | 3198 | 3078 | 0.962 | 104 | 447 | ||
3 | A' | 3178 | 3042 | 0.957 | 104 | 448 | ||
4 | A' | 2367 | 2239 | 0.946 | 104 | 449 | ||
5 | A' | 1698 | 1615 | 0.951 | 104 | 450 | ||
6 | A' | 1449 | 1416 | 0.977 | 104 | 451 | ||
7 | A' | 1323 | 1282 | 0.969 | 104 | 452 | ||
8 | A' | 1114 | 1096 | 0.984 | 104 | 453 | ||
9 | A' | 892 | 869 | 0.974 | 104 | 454 | ||
10 | A' | 585 | 570 | 0.975 | 104 | 455 | ||
11 | A' | 238 | 242 | 1.016 | 104 | 456 | ||
12 | A" | 1018 | 972 | 0.955 | 104 | 457 | ||
13 | A" | 1002 | 954 | 0.952 | 104 | 458 | ||
14 | A" | 720 | 683 | 0.949 | 104 | 459 | ||
15 | A" | 354 | 362 | 1.022 | 104 | 460 | ||
C3H2N2 | Malononitrile | 1 | A1 | 3072 | 2935 | 0.956 | 105 | 461 |
2 | A1 | 2409 | 2275 | 0.945 | 105 | 462 | ||
3 | A1 | 1442 | 1395 | 0.968 | 105 | 463 | ||
4 | A1 | 915 | 890 | 0.973 | 105 | 464 | ||
5 | A1 | 593 | 582 | 0.982 | 105 | 465 | ||
6 | A1 | 147 | 167 | 1.136 | 105 | 466 | ||
7 | A2 | 1245 | 1220 | 0.980 | 105 | 467 | ||
8 | A2 | 378 | 367 | 0.972 | 105 | 468 | ||
9 | B1 | 3112 | 2968 | 0.954 | 105 | 469 | ||
10 | B1 | 935 | 933 | 0.998 | 105 | 470 | ||
11 | B1 | 342 | 337 | 0.986 | 105 | 471 | ||
12 | B2 | 2404 | 2275 | 0.946 | 105 | 472 | ||
13 | B2 | 1344 | 1318 | 0.981 | 105 | 473 | ||
14 | B2 | 1004 | 982 | 0.978 | 105 | 474 | ||
15 | B2 | 378 | 366 | 0.967 | 105 | 475 | ||
CH3CHO | Acetaldehyde | 1 | A' | 3170 | 3014 | 0.951 | 106 | 476 |
2 | A' | 3049 | 2923 | 0.959 | 106 | 477 | ||
3 | A' | 2893 | 2716 | 0.939 | 106 | 478 | ||
4 | A' | 1851 | 1743 | 0.942 | 106 | 479 | ||
5 | A' | 1459 | 1433 | 0.982 | 106 | 480 | ||
6 | A' | 1430 | 1395 | 0.976 | 106 | 481 | ||
7 | A' | 1376 | 1352 | 0.982 | 106 | 482 | ||
8 | A' | 1136 | 1114 | 0.980 | 106 | 483 | ||
9 | A' | 897 | 867 | 0.966 | 106 | 484 | ||
10 | A' | 510 | 509 | 0.999 | 106 | 485 | ||
11 | A" | 3113 | 2964 | 0.952 | 106 | 486 | ||
12 | A" | 1469 | 1431 | 0.974 | 106 | 487 | ||
13 | A" | 1141 | 1102 | 0.966 | 106 | 488 | ||
14 | A" | 775 | 764 | 0.986 | 106 | 489 | ||
15 | A" | 160 | 150 | 0.935 | 106 | 490 | ||
C2H4O | Ethylene oxide | 1 | A1 | 3114 | 3006 | 0.965 | 107 | 491 |
2 | A1 | 1550 | 1467 | 0.947 | 107 | 492 | ||
3 | A1 | 1327 | 1267 | 0.955 | 107 | 493 | ||
4 | A1 | 1163 | 1146 | 0.986 | 107 | 494 | ||
5 | A1 | 926 | 857 | 0.925 | 107 | 495 | ||
6 | A2 | 3189 | 3063 | 0.960 | 107 | 496 | ||
7 | A2 | 1177 | 1050 | 0.892 | 107 | 497 | ||
8 | A2 | 1056 | 1020 | 0.966 | 107 | 498 | ||
9 | B1 | 3205 | 3065 | 0.956 | 107 | 499 | ||
10 | B1 | 1182 | 1146 | 0.970 | 107 | 500 | ||
11 | B1 | 822 | 797 | 0.969 | 107 | 501 | ||
12 | B2 | 3106 | 3006 | 0.968 | 107 | 502 | ||
13 | B2 | 1506 | 1459 | 0.969 | 107 | 503 | ||
14 | B2 | 1162 | 1159 | 0.998 | 107 | 504 | ||
15 | B2 | 894 | 824 | 0.922 | 107 | 505 | ||
CH3ONO | Methyl nitrite | 1 | A' | 3189 | 3037 | 0.952 | 108 | 506 |
2 | A' | 3066 | 2950 | 0.962 | 108 | 507 | ||
3 | A' | 1729 | 1613 | 0.933 | 108 | 508 | ||
4 | A' | 1492 | 1454 | 0.974 | 108 | 509 | ||
5 | A' | 1445 | 1408 | 0.974 | 108 | 510 | ||
6 | A' | 1198 | 1239 | 1.034 | 108 | 511 | ||
7 | A' | 1036 | 991 | 0.957 | 108 | 512 | ||
8 | A' | 895 | 838 | 0.936 | 108 | 513 | ||
9 | A' | 719 | 627 | 0.872 | 108 | 514 | ||
10 | A' | 357 | 346 | 0.968 | 108 | 515 | ||
11 | A" | 3140 | 2991 | 0.952 | 108 | 516 | ||
12 | A" | 1478 | 1438 | 0.973 | 108 | 517 | ||
13 | A" | 1164 | 1143 | 0.981 | 108 | 518 | ||
14 | A" | 379 | 108 | 519 | ||||
15 | A" | 196 | 186 | 0.948 | 108 | 520 | ||
CH3COF | Acetyl fluoride | 1 | A' | 3196 | 3043 | 0.952 | 109 | 521 |
2 | A' | 3079 | 2955 | 0.960 | 109 | 522 | ||
3 | A' | 1943 | 1870 | 0.963 | 109 | 523 | ||
4 | A' | 1467 | 1440 | 0.982 | 109 | 524 | ||
5 | A' | 1401 | 1378 | 0.984 | 109 | 525 | ||
6 | A' | 1222 | 1188 | 0.972 | 109 | 526 | ||
7 | A' | 1012 | 1000 | 0.988 | 109 | 527 | ||
8 | A' | 861 | 826 | 0.959 | 109 | 528 | ||
9 | A' | 610 | 598 | 0.980 | 109 | 529 | ||
10 | A' | 417 | 420 | 1.008 | 109 | 530 | ||
11 | A" | 3147 | 3004 | 0.955 | 109 | 531 | ||
12 | A" | 1474 | 1437 | 0.975 | 109 | 532 | ||
13 | A" | 1071 | 1054 | 0.984 | 109 | 533 | ||
14 | A" | 578 | 567 | 0.981 | 109 | 534 | ||
15 | A" | 129 | 123 | 0.954 | 109 | 535 | ||
B2H6 | Diborane | 1 | Ag | 2626 | 2530 | 0.964 | 110 | 536 |
2 | Ag | 2193 | 2088 | 0.952 | 110 | 537 | ||
3 | Ag | 1197 | 1183 | 0.989 | 110 | 538 | ||
4 | Ag | 819 | 790 | 0.965 | 110 | 539 | ||
5 | Au | 852 | 833 | 0.978 | 110 | 540 | ||
6 | B1g | 2702 | 2596 | 0.961 | 110 | 541 | ||
7 | B1g | 935 | 915 | 0.979 | 110 | 542 | ||
8 | B1u | 2035 | 1930 | 0.948 | 110 | 543 | ||
9 | B1u | 985 | 973 | 0.987 | 110 | 544 | ||
10 | B2g | 1891 | 1760 | 0.931 | 110 | 545 | ||
11 | B2g | 899 | 860 | 0.956 | 110 | 546 | ||
12 | B2u | 2717 | 2609 | 0.960 | 110 | 547 | ||
13 | B2u | 926 | 949 | 1.025 | 110 | 548 | ||
14 | B2u | 339 | 369 | 1.087 | 110 | 549 | ||
15 | B3g | 1004 | 1020 | 1.015 | 110 | 550 | ||
16 | B3u | 2612 | 2520 | 0.965 | 110 | 551 | ||
17 | B3u | 1724 | 1603 | 0.930 | 110 | 552 | ||
18 | B3u | 1188 | 1172 | 0.986 | 110 | 553 | ||
C2H6 | Ethane | 1 | A1g | 3052 | 2954 | 0.968 | 111 | 554 |
2 | A1g | 1424 | 1388 | 0.975 | 111 | 555 | ||
3 | A1g | 1022 | 995 | 0.974 | 111 | 556 | ||
4 | A1u | 308 | 289 | 0.939 | 111 | 557 | ||
5 | A2u | 3052 | 2896 | 0.949 | 111 | 558 | ||
6 | A2u | 1407 | 1379 | 0.980 | 111 | 559 | ||
7 | Eg | 3106 | 2969 | 0.956 | 111 | 560 | ||
8 | Eg | 1504 | 1468 | 0.976 | 111 | 561 | ||
9 | Eg | 1221 | 1190 | 0.974 | 111 | 562 | ||
10 | Eu | 3132 | 2985 | 0.953 | 111 | 563 | ||
11 | Eu | 1505 | 1469 | 0.976 | 111 | 564 | ||
12 | Eu | 824 | 822 | 0.997 | 111 | 565 | ||
C2H5N | Aziridine | 1 | A' | 3556 | 3338 | 0.939 | 112 | 566 |
2 | A' | 3222 | 3079 | 0.956 | 112 | 567 | ||
3 | A' | 3134 | 3015 | 0.962 | 112 | 568 | ||
4 | A' | 1532 | 1482 | 0.967 | 112 | 569 | ||
5 | A' | 1311 | 1237 | 0.943 | 112 | 570 | ||
6 | A' | 1260 | 1211 | 0.961 | 112 | 571 | ||
7 | A' | 1124 | 1090 | 0.969 | 112 | 572 | ||
8 | A' | 1010 | 998 | 0.988 | 112 | 573 | ||
9 | A' | 901 | 856 | 0.950 | 112 | 574 | ||
10 | A' | 784 | 773 | 0.986 | 112 | 575 | ||
11 | A" | 3208 | 3079 | 0.960 | 112 | 576 | ||
12 | A" | 3128 | 3015 | 0.964 | 112 | 577 | ||
13 | A" | 1497 | 1463 | 0.977 | 112 | 578 | ||
14 | A" | 1277 | 1268 | 0.993 | 112 | 579 | ||
15 | A" | 1158 | 1131 | 0.977 | 112 | 580 | ||
16 | A" | 1121 | 1095 | 0.977 | 112 | 581 | ||
17 | A" | 925 | 904 | 0.977 | 112 | 582 | ||
18 | A" | 902 | 817 | 0.905 | 112 | 583 | ||
CH3COOH | Acetic acid | 1 | A' | 3805 | 3583 | 0.942 | 113 | 584 |
2 | A' | 3195 | 3051 | 0.955 | 113 | 585 | ||
3 | A' | 3077 | 2944 | 0.957 | 113 | 586 | ||
4 | A' | 1860 | 1788 | 0.961 | 113 | 587 | ||
5 | A' | 1470 | 1430 | 0.972 | 113 | 588 | ||
6 | A' | 1418 | 1382 | 0.974 | 113 | 589 | ||
7 | A' | 1351 | 1264 | 0.935 | 113 | 590 | ||
8 | A' | 1222 | 1182 | 0.968 | 113 | 591 | ||
9 | A' | 1004 | 989 | 0.985 | 113 | 592 | ||
10 | A' | 880 | 847 | 0.962 | 113 | 593 | ||
11 | A' | 592 | 657 | 1.111 | 113 | 594 | ||
12 | A' | 423 | 113 | 595 | ||||
13 | A" | 3145 | 2996 | 0.953 | 113 | 596 | ||
14 | A" | 1476 | 1430 | 0.969 | 113 | 597 | ||
15 | A" | 1070 | 1048 | 0.980 | 113 | 598 | ||
16 | A" | 678 | 642 | 0.947 | 113 | 599 | ||
17 | A" | 551 | 534 | 0.969 | 113 | 600 | ||
18 | A" | 79 | 93 | 1.182 | 113 | 601 | ||
CH3OCHO | methyl formate | 1 | A' | 3185 | 3045 | 0.956 | 114 | 602 |
2 | A' | 3074 | 2969 | 0.966 | 114 | 603 | ||
3 | A' | 3059 | 2943 | 0.962 | 114 | 604 | ||
4 | A' | 1837 | 1754 | 0.955 | 114 | 605 | ||
5 | A' | 1500 | 1454 | 0.969 | 114 | 606 | ||
6 | A' | 1472 | 1445 | 0.982 | 114 | 607 | ||
7 | A' | 1404 | 1371 | 0.977 | 114 | 608 | ||
8 | A' | 1256 | 1207 | 0.961 | 114 | 609 | ||
9 | A' | 1196 | 1166 | 0.975 | 114 | 610 | ||
10 | A' | 967 | 925 | 0.956 | 114 | 611 | ||
11 | A' | 787 | 767 | 0.975 | 114 | 612 | ||
12 | A' | 302 | 318 | 1.054 | 114 | 613 | ||
13 | A" | 3150 | 3012 | 0.956 | 114 | 614 | ||
14 | A" | 1487 | 1443 | 0.971 | 114 | 615 | ||
15 | A" | 1182 | 1168 | 0.988 | 114 | 616 | ||
16 | A" | 1054 | 1032 | 0.980 | 114 | 617 | ||
17 | A" | 349 | 332 | 0.952 | 114 | 618 | ||
18 | A" | 122 | 130 | 1.065 | 114 | 619 | ||
C3H3NO | Isoxazole | 1 | A' | 3307 | 3160 | 0.955 | 115 | 620 |
2 | A' | 3280 | 3128 | 0.954 | 115 | 621 | ||
3 | A' | 3261 | 3086 | 0.946 | 115 | 622 | ||
4 | A' | 1624 | 1561 | 0.961 | 115 | 623 | ||
5 | A' | 1490 | 1433 | 0.962 | 115 | 624 | ||
6 | A' | 1420 | 1371 | 0.965 | 115 | 625 | ||
7 | A' | 1264 | 1218 | 0.964 | 115 | 626 | ||
8 | A' | 1173 | 1130 | 0.963 | 115 | 627 | ||
9 | A' | 1143 | 1096 | 0.959 | 115 | 628 | ||
10 | A' | 1053 | 1024 | 0.973 | 115 | 629 | ||
11 | A' | 945 | 920 | 0.973 | 115 | 630 | ||
12 | A' | 931 | 900 | 0.967 | 115 | 631 | ||
13 | A' | 928 | 857 | 0.923 | 115 | 632 | ||
14 | A" | 928 | 890 | 0.959 | 115 | 633 | ||
15 | A" | 893 | 866 | 0.970 | 115 | 634 | ||
16 | A" | 792 | 765 | 0.965 | 115 | 635 | ||
17 | A" | 662 | 631 | 0.953 | 115 | 636 | ||
18 | A" | 619 | 592 | 0.956 | 115 | 637 | ||
CH3NO3 | Methyl nitrate | 1 | A' | 3181 | 3008 | 0.946 | 116 | 638 |
2 | A' | 3075 | 2941 | 0.957 | 116 | 639 | ||
3 | A' | 1782 | 1678 | 0.942 | 116 | 640 | ||
4 | A' | 1502 | 1468 | 0.977 | 116 | 641 | ||
5 | A' | 1470 | 1430 | 0.973 | 116 | 642 | ||
6 | A' | 1370 | 1287 | 0.939 | 116 | 643 | ||
7 | A' | 1203 | 1176 | 0.978 | 116 | 644 | ||
8 | A' | 1065 | 1017 | 0.955 | 116 | 645 | ||
9 | A' | 907 | 854 | 0.941 | 116 | 646 | ||
10 | A' | 696 | 657 | 0.944 | 116 | 647 | ||
11 | A' | 601 | 578 | 0.961 | 116 | 648 | ||
12 | A' | 348 | 340 | 0.976 | 116 | 649 | ||
13 | A" | 3161 | 3008 | 0.952 | 116 | 650 | ||
14 | A" | 1477 | 1455 | 0.985 | 116 | 651 | ||
15 | A" | 1178 | 1136 | 0.964 | 116 | 652 | ||
16 | A" | 810 | 758 | 0.936 | 116 | 653 | ||
17 | A" | 208 | 116 | 654 | ||||
18 | A" | 148 | 116 | 655 | ||||
CH3CHF2 | Ethane, 1,1-difluoro- | 1 | A' | 3164 | 3015 | 0.953 | 117 | 656 |
2 | A' | 3080 | 2975 | 0.966 | 117 | 657 | ||
3 | A' | 3075 | 2964 | 0.964 | 117 | 658 | ||
4 | A' | 1484 | 1457 | 0.982 | 117 | 659 | ||
5 | A' | 1440 | 1413 | 0.981 | 117 | 660 | ||
6 | A' | 1391 | 1357 | 0.975 | 117 | 661 | ||
7 | A' | 1172 | 1171 | 0.999 | 117 | 662 | ||
8 | A' | 1156 | 1140 | 0.986 | 117 | 663 | ||
9 | A' | 883 | 868 | 0.983 | 117 | 664 | ||
10 | A' | 574 | 569 | 0.991 | 117 | 665 | ||
11 | A' | 470 | 468 | 0.995 | 117 | 666 | ||
12 | A" | 3162 | 117 | 667 | ||||
13 | A" | 1485 | 117 | 668 | ||||
14 | A" | 1394 | 1362 | 0.977 | 117 | 669 | ||
15 | A" | 1164 | 1135 | 0.975 | 117 | 670 | ||
16 | A" | 961 | 942 | 0.981 | 117 | 671 | ||
17 | A" | 384 | 117 | 672 | ||||
18 | A" | 233 | 117 | 673 | ||||
CH3CF3 | Ethane, 1,1,1-trifluoro- | 1 | A1 | 3091 | 2974 | 0.962 | 118 | 674 |
2 | A1 | 1435 | 1412 | 0.984 | 118 | 675 | ||
3 | A1 | 1299 | 1278 | 0.984 | 118 | 676 | ||
4 | A1 | 849 | 828 | 0.975 | 118 | 677 | ||
5 | A1 | 607 | 606 | 0.998 | 118 | 678 | ||
6 | A2 | 228 | 225 | 0.987 | 118 | 679 | ||
7 | E | 3182 | 3042 | 0.956 | 118 | 680 | ||
8 | E | 1484 | 1450 | 0.977 | 118 | 681 | ||
9 | E | 1248 | 1230 | 0.985 | 118 | 682 | ||
10 | E | 981 | 964 | 0.983 | 118 | 683 | ||
11 | E | 545 | 540 | 0.991 | 118 | 684 | ||
12 | E | 365 | 365 | 1.000 | 118 | 685 | ||
C2F6 | hexafluoroethane | 1 | A1g | 1432 | 1420 | 0.992 | 119 | 686 |
2 | A1g | 823 | 809 | 0.983 | 119 | 687 | ||
3 | A1g | 348 | 349 | 1.002 | 119 | 688 | ||
4 | A1u | 68 | 68 | 0.994 | 119 | 689 | ||
5 | A2u | 1137 | 1117 | 0.983 | 119 | 690 | ||
6 | A2u | 723 | 714 | 0.988 | 119 | 691 | ||
7 | Eg | 1255 | 1237 | 0.985 | 119 | 692 | ||
8 | Eg | 623 | 620 | 0.995 | 119 | 693 | ||
9 | Eg | 381 | 380 | 0.998 | 119 | 694 | ||
10 | Eu | 1272 | 1251 | 0.983 | 119 | 695 | ||
11 | Eu | 526 | 523 | 0.993 | 119 | 696 | ||
12 | Eu | 213 | 216 | 1.012 | 119 | 697 | ||
C3H6 | Cyclopropane | 1 | A1' | 3162 | 3038 | 0.961 | 120 | 698 |
2 | A1' | 1526 | 1479 | 0.969 | 120 | 699 | ||
3 | A1' | 1237 | 1188 | 0.961 | 120 | 700 | ||
4 | A1" | 1159 | 1126 | 0.972 | 120 | 701 | ||
5 | A2' | 1095 | 1070 | 0.977 | 120 | 702 | ||
6 | A2" | 3253 | 3103 | 0.954 | 120 | 703 | ||
7 | A2" | 861 | 854 | 0.992 | 120 | 704 | ||
8 | E' | 3154 | 3025 | 0.959 | 120 | 705 | ||
9 | E' | 1474 | 1438 | 0.976 | 120 | 706 | ||
10 | E' | 1059 | 1029 | 0.972 | 120 | 707 | ||
11 | E' | 912 | 866 | 0.949 | 120 | 708 | ||
12 | E" | 3231 | 3082 | 0.954 | 120 | 709 | ||
13 | E" | 1216 | 1188 | 0.977 | 120 | 710 | ||
14 | E" | 743 | 739 | 0.995 | 120 | 711 | ||
CH2CHCH3 | Propene | 1 | A' | 3240 | 3090 | 0.954 | 121 | 712 |
2 | A' | 3158 | 3013 | 0.954 | 121 | 713 | ||
3 | A' | 3150 | 2991 | 0.950 | 121 | 714 | ||
4 | A' | 3128 | 2954 | 0.944 | 121 | 715 | ||
5 | A' | 3041 | 2871 | 0.944 | 121 | 716 | ||
6 | A' | 1732 | 1650 | 0.953 | 121 | 717 | ||
7 | A' | 1492 | 1470 | 0.985 | 121 | 718 | ||
8 | A' | 1452 | 1420 | 0.978 | 121 | 719 | ||
9 | A' | 1404 | 1378 | 0.982 | 121 | 720 | ||
10 | A' | 1332 | 1297 | 0.974 | 121 | 721 | ||
11 | A' | 1196 | 1171 | 0.979 | 121 | 722 | ||
12 | A' | 946 | 963 | 1.018 | 121 | 723 | ||
13 | A' | 939 | 920 | 0.979 | 121 | 724 | ||
14 | A' | 424 | 428 | 1.009 | 121 | 725 | ||
15 | A" | 3095 | 2954 | 0.954 | 121 | 726 | ||
16 | A" | 1478 | 1443 | 0.977 | 121 | 727 | ||
17 | A" | 1074 | 1045 | 0.973 | 121 | 728 | ||
18 | A" | 1036 | 991 | 0.956 | 121 | 729 | ||
19 | A" | 953 | 912 | 0.957 | 121 | 730 | ||
20 | A" | 595 | 578 | 0.972 | 121 | 731 | ||
21 | A" | 208 | 174 | 0.837 | 121 | 732 | ||
C3H4N2 | 1H-Pyrazole | 1 | A' | 3706 | 3523 | 0.951 | 122 | 733 |
2 | A' | 3295 | 3155 | 0.957 | 122 | 734 | ||
3 | A' | 3276 | 3137 | 0.958 | 122 | 735 | ||
4 | A' | 3261 | 3126 | 0.959 | 122 | 736 | ||
5 | A' | 1587 | 1531 | 0.964 | 122 | 737 | ||
6 | A' | 1504 | 1447 | 0.962 | 122 | 738 | ||
7 | A' | 1447 | 1395 | 0.964 | 122 | 739 | ||
8 | A' | 1406 | 1358 | 0.966 | 122 | 740 | ||
9 | A' | 1297 | 1254 | 0.967 | 122 | 741 | ||
10 | A' | 1206 | 1159 | 0.961 | 122 | 742 | ||
11 | A' | 1160 | 1121 | 0.966 | 122 | 743 | ||
12 | A' | 1067 | 1054 | 0.988 | 122 | 744 | ||
13 | A' | 1063 | 1009 | 0.949 | 122 | 745 | ||
14 | A' | 949 | 924 | 0.974 | 122 | 746 | ||
15 | A' | 927 | 908 | 0.979 | 122 | 747 | ||
16 | A" | 913 | 879 | 0.962 | 122 | 748 | ||
17 | A" | 860 | 833 | 0.968 | 122 | 749 | ||
18 | A" | 766 | 745 | 0.972 | 122 | 750 | ||
19 | A" | 705 | 674 | 0.957 | 122 | 751 | ||
20 | A" | 646 | 623 | 0.964 | 122 | 752 | ||
21 | A" | 557 | 516 | 0.927 | 122 | 753 | ||
C3H4N2 | 1H-Imidazole | 1 | A' | 3702 | 3517 | 0.950 | 123 | 754 |
2 | A' | 3297 | 3143 | 0.953 | 123 | 755 | ||
3 | A' | 3265 | 3123 | 0.956 | 123 | 756 | ||
4 | A' | 3263 | 3110 | 0.953 | 123 | 757 | ||
5 | A' | 1579 | 1448 | 0.917 | 123 | 758 | ||
6 | A' | 1525 | 1404 | 0.920 | 123 | 759 | ||
7 | A' | 1458 | 1328 | 0.911 | 123 | 760 | ||
8 | A' | 1391 | 1265 | 0.909 | 123 | 761 | ||
9 | A' | 1292 | 1188 | 0.919 | 123 | 762 | ||
10 | A' | 1191 | 1098 | 0.922 | 123 | 763 | ||
11 | A' | 1158 | 1062 | 0.917 | 123 | 764 | ||
12 | A' | 1110 | 1013 | 0.913 | 123 | 765 | ||
13 | A' | 1088 | 988 | 0.908 | 123 | 766 | ||
14 | A' | 951 | 923 | 0.970 | 123 | 767 | ||
15 | A' | 911 | 898 | 0.986 | 123 | 768 | ||
16 | A" | 890 | 831 | 0.933 | 123 | 769 | ||
17 | A" | 835 | 758 | 0.907 | 123 | 770 | ||
18 | A" | 747 | 674 | 0.902 | 123 | 771 | ||
19 | A" | 691 | 663 | 0.960 | 123 | 772 | ||
20 | A" | 656 | 621 | 0.947 | 123 | 773 | ||
21 | A" | 545 | 539 | 0.989 | 123 | 774 | ||
C3H3N3 | 1,3,5-Triazine | 1 | A1' | 3188 | 3042 | 0.954 | 124 | 775 |
2 | A1' | 1169 | 1132 | 0.968 | 124 | 776 | ||
3 | A1' | 1026 | 992 | 0.967 | 124 | 777 | ||
4 | A2' | 1405 | 1278 | 0.910 | 124 | 778 | ||
5 | A2' | 1209 | 1068 | 0.883 | 124 | 779 | ||
6 | A2" | 965 | 925 | 0.958 | 124 | 780 | ||
7 | A2" | 763 | 737 | 0.966 | 124 | 781 | ||
8 | E' | 3182 | 3056 | 0.960 | 124 | 782 | ||
9 | E' | 1631 | 1555 | 0.953 | 124 | 783 | ||
10 | E' | 1457 | 1410 | 0.968 | 124 | 784 | ||
11 | E' | 1216 | 1176 | 0.967 | 124 | 785 | ||
12 | E' | 694 | 657 | 0.947 | 124 | 786 | ||
13 | E" | 1059 | 830 | 0.784 | 124 | 787 | ||
14 | E" | 349 | 340 | 0.975 | 124 | 788 | ||
CH3CH2OH | Ethanol | 1 | A' | 3893 | 3653 | 0.938 | 125 | 789 |
2 | A' | 3137 | 2984 | 0.951 | 125 | 790 | ||
3 | A' | 3060 | 2939 | 0.961 | 125 | 791 | ||
4 | A' | 2996 | 2900 | 0.968 | 125 | 792 | ||
5 | A' | 1531 | 1490 | 0.973 | 125 | 793 | ||
6 | A' | 1501 | 1464 | 0.975 | 125 | 794 | ||
7 | A' | 1464 | 1412 | 0.964 | 125 | 795 | ||
8 | A' | 1403 | 1371 | 0.978 | 125 | 796 | ||
9 | A' | 1279 | 1256 | 0.982 | 125 | 797 | ||
10 | A' | 1132 | 1091 | 0.964 | 125 | 798 | ||
11 | A' | 1049 | 1028 | 0.980 | 125 | 799 | ||
12 | A' | 915 | 888 | 0.970 | 125 | 800 | ||
13 | A' | 418 | 417 | 0.996 | 125 | 801 | ||
14 | A" | 3138 | 2991 | 0.953 | 125 | 802 | ||
15 | A" | 3023 | 2910 | 0.963 | 125 | 803 | ||
16 | A" | 1482 | 1446 | 0.975 | 125 | 804 | ||
17 | A" | 1307 | 1275 | 0.975 | 125 | 805 | ||
18 | A" | 1184 | 1161 | 0.980 | 125 | 806 | ||
19 | A" | 821 | 812 | 0.989 | 125 | 807 | ||
20 | A" | 281 | 251 | 0.892 | 125 | 808 | ||
21 | A" | 243 | 200 | 0.823 | 125 | 809 | ||
CH3OCH3 | Dimethyl ether | 1 | A1 | 3136 | 2996 | 0.955 | 126 | 810 |
2 | A1 | 2992 | 2817 | 0.942 | 126 | 811 | ||
3 | A1 | 1519 | 1464 | 0.964 | 126 | 812 | ||
4 | A1 | 1491 | 1452 | 0.974 | 126 | 813 | ||
5 | A1 | 1275 | 1244 | 0.976 | 126 | 814 | ||
6 | A1 | 975 | 928 | 0.952 | 126 | 815 | ||
7 | A1 | 409 | 418 | 1.021 | 126 | 816 | ||
8 | A2 | 3036 | 2952 | 0.972 | 126 | 817 | ||
9 | A2 | 1482 | 1464 | 0.988 | 126 | 818 | ||
10 | A2 | 1168 | 1150 | 0.984 | 126 | 819 | ||
11 | A2 | 210 | 203 | 0.966 | 126 | 820 | ||
12 | B1 | 3029 | 2925 | 0.966 | 126 | 821 | ||
13 | B1 | 1491 | 1464 | 0.982 | 126 | 822 | ||
14 | B1 | 1200 | 1179 | 0.982 | 126 | 823 | ||
15 | B1 | 240 | 242 | 1.008 | 126 | 824 | ||
16 | B2 | 3134 | 2996 | 0.956 | 126 | 825 | ||
17 | B2 | 2980 | 2817 | 0.945 | 126 | 826 | ||
18 | B2 | 1499 | 1464 | 0.977 | 126 | 827 | ||
19 | B2 | 1460 | 1452 | 0.995 | 126 | 828 | ||
20 | B2 | 1225 | 1227 | 1.002 | 126 | 829 | ||
21 | B2 | 1136 | 1102 | 0.970 | 126 | 830 | ||
C4H4O | Furan | 1 | A1 | 3305 | 3161 | 0.956 | 127 | 831 |
2 | A1 | 3279 | 3140 | 0.958 | 127 | 832 | ||
3 | A1 | 1535 | 1491 | 0.971 | 127 | 833 | ||
4 | A1 | 1433 | 1384 | 0.966 | 127 | 834 | ||
5 | A1 | 1178 | 1140 | 0.968 | 127 | 835 | ||
6 | A1 | 1111 | 1066 | 0.959 | 127 | 836 | ||
7 | A1 | 1026 | 995 | 0.970 | 127 | 837 | ||
8 | A1 | 892 | 871 | 0.976 | 127 | 838 | ||
9 | A2 | 902 | 838 | 0.929 | 127 | 839 | ||
10 | A2 | 748 | 728 | 0.973 | 127 | 840 | ||
11 | A2 | 622 | 603 | 0.969 | 127 | 841 | ||
12 | B1 | 868 | 863 | 0.994 | 127 | 842 | ||
13 | B1 | 770 | 745 | 0.968 | 127 | 843 | ||
14 | B1 | 633 | 613 | 0.969 | 127 | 844 | ||
15 | B2 | 3298 | 3154 | 0.956 | 127 | 845 | ||
16 | B2 | 3268 | 3129 | 0.958 | 127 | 846 | ||
17 | B2 | 1615 | 1556 | 0.963 | 127 | 847 | ||
18 | B2 | 1296 | 1267 | 0.978 | 127 | 848 | ||
19 | B2 | 1232 | 1180 | 0.958 | 127 | 849 | ||
20 | B2 | 1074 | 1040 | 0.968 | 127 | 850 | ||
21 | B2 | 896 | 873 | 0.974 | 127 | 851 | ||
C3H4O2 | β–Propiolactone | 1 | A' | 3117 | 3001 | 0.963 | 128 | 852 |
2 | A' | 3101 | 2935 | 0.946 | 128 | 853 | ||
3 | A' | 1955 | 1882 | 0.963 | 128 | 854 | ||
4 | A' | 1526 | 1475 | 0.967 | 128 | 855 | ||
5 | A' | 1453 | 1427 | 0.982 | 128 | 856 | ||
6 | A' | 1359 | 1319 | 0.970 | 128 | 857 | ||
7 | A' | 1229 | 1199 | 0.975 | 128 | 858 | ||
8 | A' | 1138 | 1093 | 0.960 | 128 | 859 | ||
9 | A' | 1036 | 1005 | 0.970 | 128 | 860 | ||
10 | A' | 979 | 924 | 0.943 | 128 | 861 | ||
11 | A' | 911 | 891 | 0.978 | 128 | 862 | ||
12 | A' | 765 | 746 | 0.975 | 128 | 863 | ||
13 | A' | 503 | 513 | 1.020 | 128 | 864 | ||
14 | A" | 3178 | 3028 | 0.953 | 128 | 865 | ||
15 | A" | 3158 | 3000 | 0.950 | 128 | 866 | ||
16 | A" | 1208 | 1184 | 0.980 | 128 | 867 | ||
17 | A" | 1168 | 1139 | 0.975 | 128 | 868 | ||
18 | A" | 1066 | 1046 | 0.981 | 128 | 869 | ||
19 | A" | 801 | 790 | 0.986 | 128 | 870 | ||
20 | A" | 522 | 490 | 0.939 | 128 | 871 | ||
21 | A" | 186 | 113 | 0.607 | 128 | 872 | ||
CH2CHCHCH2 | 1,3-Butadiene | 1 | Ag | 3251 | 3087 | 0.950 | 129 | 873 |
2 | Ag | 3162 | 3003 | 0.950 | 129 | 874 | ||
3 | Ag | 3151 | 2992 | 0.950 | 129 | 875 | ||
4 | Ag | 1728 | 1630 | 0.943 | 129 | 876 | ||
5 | Ag | 1477 | 1438 | 0.974 | 129 | 877 | ||
6 | Ag | 1319 | 1280 | 0.971 | 129 | 878 | ||
7 | Ag | 1236 | 1196 | 0.968 | 129 | 879 | ||
8 | Ag | 907 | 894 | 0.985 | 129 | 880 | ||
9 | Ag | 517 | 512 | 0.990 | 129 | 881 | ||
10 | Au | 1064 | 1013 | 0.952 | 129 | 882 | ||
11 | Au | 949 | 908 | 0.956 | 129 | 883 | ||
12 | Au | 542 | 522 | 0.963 | 129 | 884 | ||
13 | Au | 175 | 162 | 0.924 | 129 | 885 | ||
14 | Bg | 1011 | 976 | 0.966 | 129 | 886 | ||
15 | Bg | 949 | 912 | 0.961 | 129 | 887 | ||
16 | Bg | 791 | 770 | 0.974 | 129 | 888 | ||
17 | Bu | 3251 | 3101 | 0.954 | 129 | 889 | ||
18 | Bu | 3165 | 3055 | 0.965 | 129 | 890 | ||
19 | Bu | 3158 | 2984 | 0.945 | 129 | 891 | ||
20 | Bu | 1671 | 1596 | 0.955 | 129 | 892 | ||
21 | Bu | 1419 | 1381 | 0.974 | 129 | 893 | ||
22 | Bu | 1321 | 1294 | 0.979 | 129 | 894 | ||
23 | Bu | 1002 | 990 | 0.988 | 129 | 895 | ||
24 | Bu | 297 | 301 | 1.014 | 129 | 896 | ||
CH3CCCH3 | 2-Butyne | 1 | A1' | 3048 | 2916 | 0.957 | 130 | 897 |
2 | A1' | 2388 | 2240 | 0.938 | 130 | 898 | ||
3 | A1' | 1414 | 1380 | 0.976 | 130 | 899 | ||
4 | A1' | 737 | 725 | 0.983 | 130 | 900 | ||
6 | A2" | 3049 | 2938 | 0.964 | 130 | 901 | ||
7 | A2" | 1414 | 1382 | 0.977 | 130 | 902 | ||
8 | A2" | 1189 | 1152 | 0.969 | 130 | 903 | ||
9 | E' | 3113 | 2973 | 0.955 | 130 | 904 | ||
10 | E' | 1479 | 1456 | 0.984 | 130 | 905 | ||
11 | E' | 1062 | 1054 | 0.993 | 130 | 906 | ||
12 | E' | 205 | 213 | 1.037 | 130 | 907 | ||
13 | E" | 3114 | 2966 | 0.953 | 130 | 908 | ||
14 | E" | 1479 | 1448 | 0.979 | 130 | 909 | ||
15 | E" | 1044 | 1029 | 0.986 | 130 | 910 | ||
16 | E" | 405 | 371 | 0.915 | 130 | 911 | ||
CH2CCHCH3 | 1,2-Butadiene | 1 | A' | 3154 | 3061 | 0.970 | 131 | 912 |
2 | A' | 3142 | 3010 | 0.958 | 131 | 913 | ||
3 | A' | 3138 | 2965 | 0.945 | 131 | 914 | ||
4 | A' | 3046 | 2905 | 0.954 | 131 | 915 | ||
5 | A' | 2079 | 1970 | 0.947 | 131 | 916 | ||
6 | A' | 1507 | 1453 | 0.964 | 131 | 917 | ||
7 | A' | 1473 | 1437 | 0.976 | 131 | 918 | ||
8 | A' | 1406 | 1389 | 0.988 | 131 | 919 | ||
9 | A' | 1363 | 1330 | 0.976 | 131 | 920 | ||
10 | A' | 1160 | 1132 | 0.976 | 131 | 921 | ||
11 | A' | 1095 | 1074 | 0.981 | 131 | 922 | ||
12 | A' | 890 | 876 | 0.984 | 131 | 923 | ||
13 | A' | 879 | 859 | 0.977 | 131 | 924 | ||
14 | A' | 577 | 555 | 0.962 | 131 | 925 | ||
15 | A' | 211 | 210 | 0.995 | 131 | 926 | ||
16 | A" | 3217 | 3061 | 0.952 | 131 | 927 | ||
17 | A" | 3101 | 2965 | 0.956 | 131 | 928 | ||
18 | A" | 1483 | 1453 | 0.980 | 131 | 929 | ||
19 | A" | 1061 | 1110 | 1.046 | 131 | 930 | ||
20 | A" | 1020 | 1011 | 0.992 | 131 | 931 | ||
21 | A" | 902 | 842 | 0.934 | 131 | 932 | ||
22 | A" | 544 | 523 | 0.961 | 131 | 933 | ||
23 | A" | 345 | 322 | 0.934 | 131 | 934 | ||
C4H6 | Cyclobutene | 1 | A1 | 3223 | 3060 | 0.949 | 132 | 935 |
2 | A1 | 3065 | 2935 | 0.958 | 132 | 936 | ||
3 | A1 | 1655 | 1570 | 0.948 | 132 | 937 | ||
4 | A1 | 1487 | 1450 | 0.975 | 132 | 938 | ||
5 | A1 | 1225 | 1276 | 1.042 | 132 | 939 | ||
6 | A1 | 1149 | 1186 | 1.032 | 132 | 940 | ||
7 | A1 | 1014 | 1113 | 1.098 | 132 | 941 | ||
8 | A1 | 914 | 886 | 0.969 | 132 | 942 | ||
9 | A2 | 3099 | 2955 | 0.953 | 132 | 943 | ||
10 | A2 | 1177 | 1276 | 1.084 | 132 | 944 | ||
11 | A2 | 1043 | 1081 | 1.036 | 132 | 945 | ||
12 | A2 | 953 | 850 | 0.892 | 132 | 946 | ||
13 | A2 | 322 | 325 | 1.010 | 132 | 947 | ||
14 | B1 | 3113 | 2955 | 0.949 | 132 | 948 | ||
15 | B1 | 1105 | 1074 | 0.972 | 132 | 949 | ||
16 | B1 | 874 | 846 | 0.967 | 132 | 950 | ||
17 | B1 | 653 | 635 | 0.972 | 132 | 951 | ||
18 | B2 | 3190 | 3047 | 0.955 | 132 | 952 | ||
19 | B2 | 3059 | 2916 | 0.953 | 132 | 953 | ||
20 | B2 | 1464 | 1427 | 0.975 | 132 | 954 | ||
21 | B2 | 1335 | 1294 | 0.969 | 132 | 955 | ||
22 | B2 | 1243 | 1214 | 0.976 | 132 | 956 | ||
23 | B2 | 916 | 888 | 0.969 | 132 | 957 | ||
24 | B2 | 866 | 740 | 0.854 | 132 | 958 | ||
C4H6 | Methylenecyclopropane | 1 | A1 | 3150 | 3010 | 0.956 | 133 | 959 |
2 | A1 | 3132 | 3002 | 0.958 | 133 | 960 | ||
3 | A1 | 1862 | 1743 | 0.936 | 133 | 961 | ||
4 | A1 | 1486 | 1437 | 0.967 | 133 | 962 | ||
5 | A1 | 1444 | 1410 | 0.977 | 133 | 963 | ||
6 | A1 | 1087 | 1036 | 0.953 | 133 | 964 | ||
7 | A1 | 1040 | 1002 | 0.963 | 133 | 965 | ||
8 | A1 | 765 | 723 | 0.945 | 133 | 966 | ||
9 | A2 | 3205 | 3051 | 0.952 | 133 | 967 | ||
10 | A2 | 1173 | 1144 | 0.975 | 133 | 968 | ||
11 | A2 | 961 | 937 | 0.975 | 133 | 969 | ||
12 | A2 | 619 | 616 | 0.995 | 133 | 970 | ||
13 | B1 | 3218 | 3071 | 0.954 | 133 | 971 | ||
14 | B1 | 1100 | 1072 | 0.974 | 133 | 972 | ||
15 | B1 | 930 | 889 | 0.956 | 133 | 973 | ||
16 | B1 | 754 | 748 | 0.992 | 133 | 974 | ||
17 | B1 | 300 | 360 | 1.201 | 133 | 975 | ||
18 | B2 | 3233 | 3086 | 0.954 | 133 | 976 | ||
19 | B2 | 3131 | 2999 | 0.958 | 133 | 977 | ||
20 | B2 | 1448 | 1353 | 0.934 | 133 | 978 | ||
21 | B2 | 1152 | 1174 | 1.019 | 133 | 979 | ||
22 | B2 | 1079 | 1125 | 1.043 | 133 | 980 | ||
23 | B2 | 917 | 792 | 0.864 | 133 | 981 | ||
24 | B2 | 360 | 290 | 0.807 | 133 | 982 | ||
CH3CH2NH2 | Ethylamine | 1 | A' | 3522 | 3345 | 0.950 | 134 | 983 |
2 | A' | 3112 | 2985 | 0.959 | 134 | 984 | ||
3 | A' | 3050 | 2840 | 0.931 | 134 | 985 | ||
4 | A' | 3037 | 2860 | 0.942 | 134 | 986 | ||
5 | A' | 1666 | 1622 | 0.974 | 134 | 987 | ||
6 | A' | 1506 | 1487 | 0.988 | 134 | 988 | ||
7 | A' | 1487 | 1465 | 0.985 | 134 | 989 | ||
8 | A' | 1408 | 1378 | 0.979 | 134 | 990 | ||
9 | A' | 1383 | 1397 | 1.010 | 134 | 991 | ||
10 | A' | 1160 | 1016 | 0.876 | 134 | 992 | ||
11 | A' | 1083 | 1086 | 1.002 | 134 | 993 | ||
12 | A' | 901 | 892 | 0.990 | 134 | 994 | ||
13 | A' | 861 | 773 | 0.898 | 134 | 995 | ||
14 | A' | 400 | 403 | 1.007 | 134 | 996 | ||
15 | A" | 3602 | 3412 | 0.947 | 134 | 997 | ||
16 | A" | 3115 | 2924 | 0.939 | 134 | 998 | ||
17 | A" | 3079 | 2906 | 0.944 | 134 | 999 | ||
18 | A" | 1493 | 1455 | 0.975 | 134 | 1000 | ||
19 | A" | 1395 | 1238 | 0.888 | 134 | 1001 | ||
20 | A" | 1274 | 1293 | 1.015 | 134 | 1002 | ||
21 | A" | 1008 | 1117 | 1.108 | 134 | 1003 | ||
22 | A" | 779 | 816 | 1.048 | 134 | 1004 | ||
23 | A" | 284 | 259 | 0.911 | 134 | 1005 | ||
24 | A" | 248 | 218 | 0.878 | 134 | 1006 | ||
C4H5N | Pyrrole | 1 | A1 | 3719 | 3531 | 0.949 | 135 | 1007 |
2 | A1 | 3289 | 3149 | 0.957 | 135 | 1008 | ||
3 | A1 | 3268 | 3128 | 0.957 | 135 | 1009 | ||
4 | A1 | 1521 | 1472 | 0.968 | 135 | 1010 | ||
5 | A1 | 1440 | 1401 | 0.973 | 135 | 1011 | ||
6 | A1 | 1194 | 1148 | 0.962 | 135 | 1012 | ||
7 | A1 | 1104 | 1075 | 0.973 | 135 | 1013 | ||
8 | A1 | 1045 | 1017 | 0.973 | 135 | 1014 | ||
9 | A1 | 904 | 882 | 0.975 | 135 | 1015 | ||
10 | A2 | 896 | 864 | 0.964 | 135 | 1016 | ||
11 | A2 | 705 | 692 | 0.981 | 135 | 1017 | ||
12 | A2 | 636 | 614 | 0.966 | 135 | 1018 | ||
13 | B1 | 851 | 827 | 0.972 | 135 | 1019 | ||
14 | B1 | 742 | 722 | 0.973 | 135 | 1020 | ||
15 | B1 | 651 | 621 | 0.954 | 135 | 1021 | ||
16 | B1 | 501 | 475 | 0.946 | 135 | 1022 | ||
17 | B2 | 3283 | 3143 | 0.957 | 135 | 1023 | ||
18 | B2 | 3257 | 3119 | 0.957 | 135 | 1024 | ||
19 | B2 | 1594 | 1519 | 0.953 | 135 | 1025 | ||
20 | B2 | 1478 | 1424 | 0.964 | 135 | 1026 | ||
21 | B2 | 1320 | 1288 | 0.976 | 135 | 1027 | ||
22 | B2 | 1170 | 1134 | 0.969 | 135 | 1028 | ||
23 | B2 | 1078 | 1049 | 0.973 | 135 | 1029 | ||
24 | B2 | 881 | 866 | 0.982 | 135 | 1030 | ||
C4H5N | Cyclopropanecarbonitrile | 1 | A' | 3268 | 3120 | 0.955 | 136 | 1031 |
2 | A' | 3197 | 3052 | 0.955 | 136 | 1032 | ||
3 | A' | 3172 | 3044 | 0.960 | 136 | 1033 | ||
4 | A' | 2377 | 2264 | 0.952 | 136 | 1034 | ||
5 | A' | 1510 | 1468 | 0.972 | 136 | 1035 | ||
6 | A' | 1393 | 1344 | 0.965 | 136 | 1036 | ||
7 | A' | 1232 | 1195 | 0.970 | 136 | 1037 | ||
8 | A' | 1144 | 1125 | 0.983 | 136 | 1038 | ||
9 | A' | 1072 | 1049 | 0.979 | 136 | 1039 | ||
10 | A' | 983 | 941 | 0.957 | 136 | 1040 | ||
11 | A' | 819 | 808 | 0.986 | 136 | 1041 | ||
12 | A' | 765 | 736 | 0.962 | 136 | 1042 | ||
13 | A' | 539 | 527 | 0.977 | 136 | 1043 | ||
14 | A' | 213 | 222 | 1.040 | 136 | 1044 | ||
15 | A" | 3254 | 3094 | 0.951 | 136 | 1045 | ||
16 | A" | 3168 | 3040 | 0.960 | 136 | 1046 | ||
17 | A" | 1472 | 1442 | 0.980 | 136 | 1047 | ||
18 | A" | 1206 | 1180 | 0.978 | 136 | 1048 | ||
19 | A" | 1119 | 1070 | 0.956 | 136 | 1049 | ||
20 | A" | 1094 | 1088 | 0.995 | 136 | 1050 | ||
21 | A" | 925 | 880 | 0.951 | 136 | 1051 | ||
22 | A" | 837 | 821 | 0.981 | 136 | 1052 | ||
23 | A" | 562 | 543 | 0.967 | 136 | 1053 | ||
24 | A" | 217 | 222 | 1.023 | 136 | 1054 | ||
C4H4N2 | Succinonitrile | 1 | Ag | 3081 | 2947 | 0.957 | 137 | 1055 |
2 | Ag | 2391 | 2254 | 0.943 | 137 | 1056 | ||
3 | Ag | 1469 | 1422 | 0.968 | 137 | 1057 | ||
4 | Ag | 1387 | 1328 | 0.957 | 137 | 1058 | ||
5 | Ag | 1045 | 1023 | 0.979 | 137 | 1059 | ||
6 | Ag | 981 | 809 | 0.825 | 137 | 1060 | ||
7 | Ag | 524 | 508 | 0.969 | 137 | 1061 | ||
8 | Ag | 224 | 187 | 0.833 | 137 | 1062 | ||
9 | Au | 3139 | 2985 | 0.951 | 137 | 1063 | ||
10 | Au | 1212 | 1197 | 0.987 | 137 | 1064 | ||
11 | Au | 771 | 760 | 0.986 | 137 | 1065 | ||
12 | Au | 405 | 357 | 0.881 | 137 | 1066 | ||
13 | Au | 77 | 137 | 1067 | ||||
14 | Bg | 3119 | 2982 | 0.956 | 137 | 1068 | ||
15 | Bg | 1319 | 1226 | 0.930 | 137 | 1069 | ||
16 | Bg | 1036 | 951 | 0.918 | 137 | 1070 | ||
17 | Bg | 367 | 387 | 1.054 | 137 | 1071 | ||
18 | Bu | 3091 | 2965 | 0.959 | 137 | 1072 | ||
19 | Bu | 2392 | 2255 | 0.943 | 137 | 1073 | ||
20 | Bu | 1478 | 1425 | 0.964 | 137 | 1074 | ||
21 | Bu | 1293 | 1270 | 0.982 | 137 | 1075 | ||
22 | Bu | 950 | 917 | 0.965 | 137 | 1076 | ||
23 | Bu | 537 | 526 | 0.980 | 137 | 1077 | ||
24 | Bu | 131 | 137 | 1078 | ||||
C4H4N2 | Pyridazine | 1 | A1 | 3224 | 3063 | 0.950 | 138 | 1079 |
2 | A1 | 3195 | 3043 | 0.952 | 138 | 1080 | ||
3 | A1 | 1637 | 1572 | 0.960 | 138 | 1081 | ||
4 | A1 | 1498 | 1414 | 0.944 | 138 | 1082 | ||
5 | A1 | 1214 | 1283 | 1.057 | 138 | 1083 | ||
6 | A1 | 1179 | 1160 | 0.984 | 138 | 1084 | ||
7 | A1 | 1110 | 1063 | 0.957 | 138 | 1085 | ||
8 | A1 | 1038 | 964 | 0.929 | 138 | 1086 | ||
9 | A1 | 682 | 619 | 0.908 | 138 | 1087 | ||
10 | A2 | 1038 | 936 | 0.902 | 138 | 1088 | ||
11 | A2 | 956 | 863 | 0.903 | 138 | 1089 | ||
12 | A2 | 792 | 751 | 0.949 | 138 | 1090 | ||
13 | A2 | 378 | 421 | 1.114 | 138 | 1091 | ||
14 | B1 | 998 | 138 | 1092 | ||||
15 | B1 | 770 | 760 | 0.987 | 138 | 1093 | ||
16 | B1 | 376 | 370 | 0.983 | 138 | 1094 | ||
17 | B2 | 3210 | 3075 | 0.958 | 138 | 1095 | ||
18 | B2 | 3191 | 3043 | 0.954 | 138 | 1096 | ||
19 | B2 | 1635 | 1565 | 0.957 | 138 | 1097 | ||
20 | B2 | 1453 | 1444 | 0.994 | 138 | 1098 | ||
21 | B2 | 1323 | 1239 | 0.936 | 138 | 1099 | ||
22 | B2 | 1096 | 1052 | 0.960 | 138 | 1100 | ||
23 | B2 | 1065 | 1009 | 0.947 | 138 | 1101 | ||
24 | B2 | 634 | 664 | 1.048 | 138 | 1102 | ||
C4H4N2 | 1,3-Diazine | 1 | A1 | 3226 | 3082 | 0.955 | 139 | 1103 |
2 | A1 | 3183 | 3053 | 0.959 | 139 | 1104 | ||
3 | A1 | 3171 | 3049 | 0.962 | 139 | 1105 | ||
4 | A1 | 1642 | 1572 | 0.957 | 139 | 1106 | ||
5 | A1 | 1453 | 1465 | 1.008 | 139 | 1107 | ||
6 | A1 | 1177 | 1155 | 0.982 | 139 | 1108 | ||
7 | A1 | 1093 | 1065 | 0.974 | 139 | 1109 | ||
8 | A1 | 1022 | 969 | 0.948 | 139 | 1110 | ||
9 | A1 | 697 | 679 | 0.974 | 139 | 1111 | ||
10 | A2 | 1016 | 960 | 0.945 | 139 | 1112 | ||
11 | A2 | 408 | 398 | 0.974 | 139 | 1113 | ||
12 | B1 | 1043 | 1033 | 0.990 | 139 | 1114 | ||
13 | B1 | 998 | 980 | 0.982 | 139 | 1115 | ||
14 | B1 | 835 | 804 | 0.963 | 139 | 1116 | ||
15 | B1 | 744 | 719 | 0.966 | 139 | 1117 | ||
16 | B1 | 351 | 347 | 0.989 | 139 | 1118 | ||
17 | B2 | 3174 | 3047 | 0.960 | 139 | 1119 | ||
18 | B2 | 1641 | 1569 | 0.956 | 139 | 1120 | ||
19 | B2 | 1509 | 1411 | 0.935 | 139 | 1121 | ||
20 | B2 | 1398 | 1356 | 0.970 | 139 | 1122 | ||
21 | B2 | 1278 | 1224 | 0.958 | 139 | 1123 | ||
22 | B2 | 1238 | 1158 | 0.935 | 139 | 1124 | ||
23 | B2 | 1104 | 1071 | 0.970 | 139 | 1125 | ||
24 | B2 | 633 | 621 | 0.981 | 139 | 1126 | ||
C4H4N2 | Pyrazine | 1 | Ag | 3192 | 3055 | 0.957 | 140 | 1127 |
2 | Ag | 1646 | 1580 | 0.960 | 140 | 1128 | ||
3 | Ag | 1263 | 1233 | 0.977 | 140 | 1129 | ||
4 | Ag | 1059 | 1016 | 0.959 | 140 | 1130 | ||
5 | Ag | 608 | 602 | 0.990 | 140 | 1131 | ||
6 | Au | 1020 | 960 | 0.941 | 140 | 1132 | ||
7 | Au | 352 | 350 | 0.995 | 140 | 1133 | ||
8 | B1g | 958 | 927 | 0.967 | 140 | 1134 | ||
9 | B1u | 3170 | 3012 | 0.950 | 140 | 1135 | ||
10 | B1u | 1532 | 1483 | 0.968 | 140 | 1136 | ||
11 | B1u | 1180 | 1130 | 0.958 | 140 | 1137 | ||
12 | B1u | 1041 | 1018 | 0.978 | 140 | 1138 | ||
13 | B2g | 1008 | 983 | 0.976 | 140 | 1139 | ||
14 | B2g | 790 | 756 | 0.957 | 140 | 1140 | ||
15 | B2u | 3186 | 3069 | 0.963 | 140 | 1141 | ||
16 | B2u | 1455 | 1411 | 0.970 | 140 | 1142 | ||
17 | B2u | 1254 | 1149 | 0.917 | 140 | 1143 | ||
18 | B2u | 1101 | 1063 | 0.966 | 140 | 1144 | ||
19 | B3g | 3169 | 3040 | 0.959 | 140 | 1145 | ||
20 | B3g | 1617 | 1525 | 0.943 | 140 | 1146 | ||
21 | B3g | 1380 | 1346 | 0.975 | 140 | 1147 | ||
22 | B3g | 723 | 704 | 0.974 | 140 | 1148 | ||
23 | B3u | 815 | 785 | 0.964 | 140 | 1149 | ||
24 | B3u | 434 | 418 | 0.962 | 140 | 1150 | ||
CH3COCH3 | Acetone | 1 | A1 | 3175 | 3019 | 0.951 | 141 | 1151 |
2 | A1 | 3059 | 2937 | 0.960 | 141 | 1152 | ||
3 | A1 | 1830 | 1731 | 0.946 | 141 | 1153 | ||
4 | A1 | 1468 | 1435 | 0.978 | 141 | 1154 | ||
5 | A1 | 1382 | 1364 | 0.987 | 141 | 1155 | ||
6 | A1 | 1083 | 1066 | 0.984 | 141 | 1156 | ||
7 | A1 | 801 | 777 | 0.970 | 141 | 1157 | ||
8 | A1 | 376 | 385 | 1.025 | 141 | 1158 | ||
9 | A2 | 3116 | 2963 | 0.951 | 141 | 1159 | ||
10 | A2 | 1463 | 1426 | 0.975 | 141 | 1160 | ||
11 | A2 | 879 | 877 | 0.997 | 141 | 1161 | ||
12 | A2 | 25 | 77 | 3.103 | 141 | 1162 | ||
13 | B1 | 3122 | 2972 | 0.952 | 141 | 1163 | ||
14 | B1 | 1486 | 1454 | 0.978 | 141 | 1164 | ||
15 | B1 | 1120 | 1091 | 0.974 | 141 | 1165 | ||
16 | B1 | 490 | 484 | 0.987 | 141 | 1166 | ||
17 | B1 | 134 | 125 | 0.932 | 141 | 1167 | ||
18 | B2 | 3173 | 3019 | 0.951 | 141 | 1168 | ||
19 | B2 | 3052 | 2937 | 0.962 | 141 | 1169 | ||
20 | B2 | 1457 | 1410 | 0.968 | 141 | 1170 | ||
21 | B2 | 1390 | 1364 | 0.981 | 141 | 1171 | ||
22 | B2 | 1247 | 1216 | 0.975 | 141 | 1172 | ||
23 | B2 | 889 | 891 | 1.003 | 141 | 1173 | ||
24 | B2 | 537 | 530 | 0.988 | 141 | 1174 | ||
CH3CH2CHO | Propanal | 1 | A' | 3144 | 2981 | 0.948 | 142 | 1175 |
2 | A' | 3070 | 2904 | 0.946 | 142 | 1176 | ||
3 | A' | 3033 | 2895 | 0.955 | 142 | 1177 | ||
4 | A' | 2894 | 2809 | 0.971 | 142 | 1178 | ||
5 | A' | 1844 | 1743 | 0.945 | 142 | 1179 | ||
6 | A' | 1500 | 1460 | 0.973 | 142 | 1180 | ||
7 | A' | 1449 | 1416 | 0.977 | 142 | 1181 | ||
8 | A' | 1425 | 1390 | 0.976 | 142 | 1182 | ||
9 | A' | 1411 | 1376 | 0.975 | 142 | 1183 | ||
10 | A' | 1372 | 1335 | 0.973 | 142 | 1184 | ||
11 | A' | 1122 | 1093 | 0.975 | 142 | 1185 | ||
12 | A' | 1009 | 993 | 0.984 | 142 | 1186 | ||
13 | A' | 868 | 848 | 0.977 | 142 | 1187 | ||
14 | A' | 677 | 668 | 0.986 | 142 | 1188 | ||
15 | A' | 253 | 271 | 1.073 | 142 | 1189 | ||
16 | A" | 3145 | 2992 | 0.951 | 142 | 1190 | ||
17 | A" | 3057 | 2942 | 0.962 | 142 | 1191 | ||
18 | A" | 1492 | 1451 | 0.972 | 142 | 1192 | ||
19 | A" | 1283 | 1250 | 0.975 | 142 | 1193 | ||
20 | A" | 1151 | 1118 | 0.972 | 142 | 1194 | ||
21 | A" | 906 | 892 | 0.984 | 142 | 1195 | ||
22 | A" | 666 | 660 | 0.991 | 142 | 1196 | ||
23 | A" | 228 | 220 | 0.966 | 142 | 1197 | ||
24 | A" | 132 | 135 | 1.025 | 142 | 1198 | ||
C3H8 | Propane | 1 | A1 | 3121 | 2977 | 0.954 | 143 | 1199 |
2 | A1 | 3046 | 2962 | 0.972 | 143 | 1200 | ||
3 | A1 | 3044 | 2887 | 0.949 | 143 | 1201 | ||
4 | A1 | 1513 | 1476 | 0.975 | 143 | 1202 | ||
5 | A1 | 1492 | 1462 | 0.980 | 143 | 1203 | ||
6 | A1 | 1421 | 1392 | 0.980 | 143 | 1204 | ||
7 | A1 | 1182 | 1158 | 0.980 | 143 | 1205 | ||
8 | A1 | 890 | 869 | 0.977 | 143 | 1206 | ||
9 | A1 | 363 | 369 | 1.017 | 143 | 1207 | ||
10 | A2 | 3108 | 2967 | 0.955 | 143 | 1208 | ||
11 | A2 | 1489 | 1451 | 0.975 | 143 | 1209 | ||
12 | A2 | 1321 | 1278 | 0.968 | 143 | 1210 | ||
13 | A2 | 912 | 940 | 1.031 | 143 | 1211 | ||
14 | A2 | 219 | 216 | 0.985 | 143 | 1212 | ||
15 | B1 | 3118 | 2973 | 0.953 | 143 | 1213 | ||
16 | B1 | 3069 | 2968 | 0.967 | 143 | 1214 | ||
17 | B1 | 1507 | 1472 | 0.977 | 143 | 1215 | ||
18 | B1 | 1216 | 1192 | 0.980 | 143 | 1216 | ||
19 | B1 | 751 | 748 | 0.996 | 143 | 1217 | ||
20 | B1 | 267 | 268 | 1.004 | 143 | 1218 | ||
21 | B2 | 3118 | 2968 | 0.952 | 143 | 1219 | ||
22 | B2 | 3043 | 2887 | 0.949 | 143 | 1220 | ||
23 | B2 | 1497 | 1464 | 0.978 | 143 | 1221 | ||
24 | B2 | 1406 | 1378 | 0.980 | 143 | 1222 | ||
25 | B2 | 1370 | 1338 | 0.976 | 143 | 1223 | ||
26 | B2 | 1080 | 1054 | 0.976 | 143 | 1224 | ||
27 | B2 | 932 | 922 | 0.990 | 143 | 1225 | ||
C5H6 | 1,3-Cyclopentadiene | 1 | A1 | 3251 | 3091 | 0.951 | 144 | 1226 |
2 | A1 | 3225 | 3075 | 0.953 | 144 | 1227 | ||
3 | A1 | 3041 | 2886 | 0.949 | 144 | 1228 | ||
4 | A1 | 1575 | 1500 | 0.952 | 144 | 1229 | ||
5 | A1 | 1418 | 1378 | 0.972 | 144 | 1230 | ||
6 | A1 | 1400 | 1365 | 0.975 | 144 | 1231 | ||
7 | A1 | 1136 | 1106 | 0.973 | 144 | 1232 | ||
8 | A1 | 1030 | 994 | 0.965 | 144 | 1233 | ||
9 | A1 | 943 | 915 | 0.971 | 144 | 1234 | ||
10 | A1 | 819 | 802 | 0.979 | 144 | 1235 | ||
11 | A2 | 1127 | 1100 | 0.976 | 144 | 1236 | ||
12 | A2 | 971 | 941 | 0.970 | 144 | 1237 | ||
13 | A2 | 723 | 700 | 0.968 | 144 | 1238 | ||
14 | A2 | 529 | 516 | 0.975 | 144 | 1239 | ||
15 | B1 | 3068 | 2900 | 0.945 | 144 | 1240 | ||
16 | B1 | 970 | 925 | 0.953 | 144 | 1241 | ||
17 | B1 | 917 | 891 | 0.971 | 144 | 1242 | ||
18 | B1 | 686 | 664 | 0.968 | 144 | 1243 | ||
19 | B1 | 345 | 350 | 1.013 | 144 | 1244 | ||
20 | B2 | 3244 | 3105 | 0.957 | 144 | 1245 | ||
21 | B2 | 3215 | 3043 | 0.947 | 144 | 1246 | ||
22 | B2 | 1659 | 1580 | 0.953 | 144 | 1247 | ||
23 | B2 | 1329 | 1292 | 0.972 | 144 | 1248 | ||
24 | B2 | 1275 | 1239 | 0.972 | 144 | 1249 | ||
25 | B2 | 1115 | 1090 | 0.977 | 144 | 1250 | ||
26 | B2 | 983 | 959 | 0.975 | 144 | 1251 | ||
27 | B2 | 820 | 805 | 0.982 | 144 | 1252 | ||
C5H5N | Pyridine | 1 | A1 | 3221 | 3094 | 0.961 | 145 | 1253 |
2 | A1 | 3196 | 3073 | 0.962 | 145 | 1254 | ||
3 | A1 | 3170 | 3030 | 0.956 | 145 | 1255 | ||
4 | A1 | 1654 | 1584 | 0.958 | 145 | 1256 | ||
5 | A1 | 1528 | 1483 | 0.971 | 145 | 1257 | ||
6 | A1 | 1252 | 1218 | 0.973 | 145 | 1258 | ||
7 | A1 | 1104 | 1072 | 0.971 | 145 | 1259 | ||
8 | A1 | 1060 | 1032 | 0.974 | 145 | 1260 | ||
9 | A1 | 1021 | 991 | 0.971 | 145 | 1261 | ||
10 | A1 | 613 | 601 | 0.981 | 145 | 1262 | ||
11 | A2 | 1020 | 980 | 0.961 | 145 | 1263 | ||
12 | A2 | 906 | 880 | 0.972 | 145 | 1264 | ||
13 | A2 | 384 | 373 | 0.971 | 145 | 1265 | ||
14 | B1 | 1031 | 1007 | 0.977 | 145 | 1266 | ||
15 | B1 | 972 | 937 | 0.963 | 145 | 1267 | ||
16 | B1 | 774 | 744 | 0.961 | 145 | 1268 | ||
17 | B1 | 724 | 700 | 0.967 | 145 | 1269 | ||
18 | B1 | 420 | 403 | 0.960 | 145 | 1270 | ||
19 | B2 | 3213 | 3087 | 0.961 | 145 | 1271 | ||
20 | B2 | 3168 | 3042 | 0.960 | 145 | 1272 | ||
21 | B2 | 1649 | 1581 | 0.958 | 145 | 1273 | ||
22 | B2 | 1486 | 1442 | 0.971 | 145 | 1274 | ||
23 | B2 | 1389 | 1362 | 0.981 | 145 | 1275 | ||
24 | B2 | 1316 | 1227 | 0.932 | 145 | 1276 | ||
25 | B2 | 1173 | 1143 | 0.974 | 145 | 1277 | ||
26 | B2 | 1089 | 1079 | 0.991 | 145 | 1278 | ||
27 | B2 | 669 | 652 | 0.974 | 145 | 1279 | ||
CHOCHCHCH3 | 2-Butenal | 1 | A' | 3188 | 3058 | 0.959 | 146 | 1280 |
2 | A' | 3151 | 2995 | 0.951 | 146 | 1281 | ||
3 | A' | 3133 | 2963 | 0.946 | 146 | 1282 | ||
4 | A' | 3045 | 2938 | 0.965 | 146 | 1283 | ||
5 | A' | 2889 | 2805 | 0.971 | 146 | 1284 | ||
6 | A' | 1809 | 1720 | 0.951 | 146 | 1285 | ||
7 | A' | 1726 | 1649 | 0.956 | 146 | 1286 | ||
8 | A' | 1483 | 1455 | 0.981 | 146 | 1287 | ||
9 | A' | 1420 | 1391 | 0.979 | 146 | 1288 | ||
10 | A' | 1410 | 1375 | 0.975 | 146 | 1289 | ||
11 | A' | 1332 | 1304 | 0.979 | 146 | 1290 | ||
12 | A' | 1278 | 1253 | 0.980 | 146 | 1291 | ||
13 | A' | 1175 | 1147 | 0.976 | 146 | 1292 | ||
14 | A' | 1110 | 1074 | 0.968 | 146 | 1293 | ||
15 | A' | 945 | 973 | 1.029 | 146 | 1294 | ||
16 | A' | 547 | 539 | 0.986 | 146 | 1295 | ||
17 | A' | 461 | 464 | 1.006 | 146 | 1296 | ||
18 | A' | 207 | 230 | 1.112 | 146 | 1297 | ||
19 | A" | 3097 | 2980 | 0.962 | 146 | 1298 | ||
20 | A" | 1476 | 1455 | 0.986 | 146 | 1299 | ||
21 | A" | 1075 | 1042 | 0.969 | 146 | 1300 | ||
22 | A" | 1039 | 973 | 0.936 | 146 | 1301 | ||
23 | A" | 1015 | 928 | 0.915 | 146 | 1302 | ||
24 | A" | 802 | 780 | 0.972 | 146 | 1303 | ||
25 | A" | 302 | 295 | 0.976 | 146 | 1304 | ||
26 | A" | 202 | 173 | 0.855 | 146 | 1305 | ||
27 | A" | 129 | 122 | 0.944 | 146 | 1306 | ||
CH3COOCH3 | methyl acetate | 1 | A' | 3192 | 3035 | 0.951 | 147 | 1307 |
2 | A' | 3178 | 3031 | 0.954 | 147 | 1308 | ||
3 | A' | 3077 | 2966 | 0.964 | 147 | 1309 | ||
4 | A' | 3070 | 2964 | 0.966 | 147 | 1310 | ||
5 | A' | 1841 | 1771 | 0.962 | 147 | 1311 | ||
6 | A' | 1502 | 1460 | 0.972 | 147 | 1312 | ||
7 | A' | 1479 | 1440 | 0.974 | 147 | 1313 | ||
8 | A' | 1469 | 1430 | 0.973 | 147 | 1314 | ||
9 | A' | 1398 | 1375 | 0.983 | 147 | 1315 | ||
10 | A' | 1293 | 1248 | 0.965 | 147 | 1316 | ||
11 | A' | 1216 | 1159 | 0.953 | 147 | 1317 | ||
12 | A' | 1099 | 1060 | 0.965 | 147 | 1318 | ||
13 | A' | 996 | 980 | 0.984 | 147 | 1319 | ||
14 | A' | 877 | 844 | 0.962 | 147 | 1320 | ||
15 | A' | 654 | 639 | 0.977 | 147 | 1321 | ||
16 | A' | 426 | 429 | 1.008 | 147 | 1322 | ||
17 | A' | 285 | 303 | 1.063 | 147 | 1323 | ||
18 | A" | 3145 | 3005 | 0.955 | 147 | 1324 | ||
19 | A" | 3144 | 2994 | 0.952 | 147 | 1325 | ||
20 | A" | 1485 | 1460 | 0.983 | 147 | 1326 | ||
21 | A" | 1476 | 1430 | 0.969 | 147 | 1327 | ||
22 | A" | 1182 | 1187 | 1.004 | 147 | 1328 | ||
23 | A" | 1069 | 1036 | 0.970 | 147 | 1329 | ||
24 | A" | 614 | 607 | 0.988 | 147 | 1330 | ||
25 | A" | 181 | 187 | 1.034 | 147 | 1331 | ||
26 | A" | 133 | 136 | 1.026 | 147 | 1332 | ||
27 | A" | 48 | 110 | 2.270 | 147 | 1333 | ||
CH2C(CH3)CH3 | 1-Propene, 2-methyl- | 1 | A1 | 3154 | 2989 | 0.948 | 148 | 1334 |
2 | A1 | 3138 | 2941 | 0.937 | 148 | 1335 | ||
3 | A1 | 3039 | 2911 | 0.958 | 148 | 1336 | ||
4 | A1 | 1740 | 1661 | 0.954 | 148 | 1337 | ||
5 | A1 | 1500 | 1470 | 0.980 | 148 | 1338 | ||
6 | A1 | 1443 | 1416 | 0.981 | 148 | 1339 | ||
7 | A1 | 1409 | 1366 | 0.969 | 148 | 1340 | ||
8 | A1 | 1084 | 1064 | 0.981 | 148 | 1341 | ||
9 | A1 | 831 | 801 | 0.963 | 148 | 1342 | ||
10 | A1 | 375 | 383 | 1.021 | 148 | 1343 | ||
11 | A2 | 3086 | 2970 | 0.962 | 148 | 1344 | ||
12 | A2 | 1469 | 1459 | 0.993 | 148 | 1345 | ||
13 | A2 | 1021 | 1076 | 1.054 | 148 | 1346 | ||
14 | A2 | 708 | 148 | 1347 | ||||
15 | A2 | 171 | 193 | 1.131 | 148 | 1348 | ||
16 | B1 | 3088 | 2945 | 0.954 | 148 | 1349 | ||
17 | B1 | 1488 | 1444 | 0.971 | 148 | 1350 | ||
18 | B1 | 1107 | 1079 | 0.975 | 148 | 1351 | ||
19 | B1 | 928 | 890 | 0.959 | 148 | 1352 | ||
20 | B1 | 442 | 429 | 0.970 | 148 | 1353 | ||
21 | B1 | 211 | 196 | 0.930 | 148 | 1354 | ||
22 | B2 | 3237 | 3086 | 0.953 | 148 | 1355 | ||
23 | B2 | 3137 | 2980 | 0.950 | 148 | 1356 | ||
24 | B2 | 3034 | 2893 | 0.954 | 148 | 1357 | ||
25 | B2 | 1481 | 1458 | 0.984 | 148 | 1358 | ||
26 | B2 | 1412 | 1381 | 0.978 | 148 | 1359 | ||
27 | B2 | 1309 | 1282 | 0.980 | 148 | 1360 | ||
28 | B2 | 991 | 1043 | 1.053 | 148 | 1361 | ||
29 | B2 | 962 | 974 | 1.012 | 148 | 1362 | ||
30 | B2 | 436 | 430 | 0.987 | 148 | 1363 | ||
C6H6 | Benzene | 1 | A1g | 3220 | 3062 | 0.951 | 149 | 1364 |
2 | A1g | 1030 | 992 | 0.963 | 149 | 1365 | ||
3 | A2g | 1386 | 1326 | 0.957 | 149 | 1366 | ||
4 | A2u | 692 | 673 | 0.972 | 149 | 1367 | ||
5 | B1u | 3183 | 3068 | 0.964 | 149 | 1368 | ||
6 | B1u | 1028 | 1010 | 0.983 | 149 | 1369 | ||
7 | B2g | 1030 | 995 | 0.966 | 149 | 1370 | ||
8 | B2g | 732 | 703 | 0.961 | 149 | 1371 | ||
9 | B2u | 1363 | 1310 | 0.961 | 149 | 1372 | ||
10 | B2u | 1175 | 1150 | 0.979 | 149 | 1373 | ||
11 | E1g | 873 | 849 | 0.973 | 149 | 1374 | ||
12 | E1u | 3210 | 3063 | 0.954 | 149 | 1375 | ||
13 | E1u | 1525 | 1486 | 0.974 | 149 | 1376 | ||
14 | E1u | 1072 | 1038 | 0.968 | 149 | 1377 | ||
15 | E2g | 3194 | 3047 | 0.954 | 149 | 1378 | ||
16 | E2g | 1662 | 1596 | 0.960 | 149 | 1379 | ||
17 | E2g | 1203 | 1178 | 0.979 | 149 | 1380 | ||
18 | E2g | 620 | 606 | 0.977 | 149 | 1381 | ||
19 | E2u | 998 | 975 | 0.977 | 149 | 1382 | ||
20 | E2u | 413 | 410 | 0.992 | 149 | 1383 | ||
C4H8 | cyclobutane | 1 | A1 | 3110 | 2951 | 0.949 | 150 | 1384 |
2 | A1 | 3077 | 2862 | 0.930 | 150 | 1385 | ||
3 | A1 | 1523 | 1468 | 0.964 | 150 | 1386 | ||
4 | A1 | 1179 | 1153 | 0.978 | 150 | 1387 | ||
5 | A1 | 1039 | 1004 | 0.966 | 150 | 1388 | ||
6 | A1 | 204 | 199 | 0.975 | 150 | 1389 | ||
7 | A2 | 1262 | 1260 | 0.999 | 150 | 1390 | ||
8 | A2 | 967 | 941 | 0.973 | 150 | 1391 | ||
9 | B1 | 1263 | 1231 | 0.975 | 150 | 1392 | ||
10 | B1 | 1176 | 1142 | 0.971 | 150 | 1393 | ||
11 | B1 | 964 | 928 | 0.963 | 150 | 1394 | ||
12 | B2 | 3141 | 2973 | 0.947 | 150 | 1395 | ||
13 | B2 | 3071 | 2934 | 0.956 | 150 | 1396 | ||
14 | B2 | 1490 | 1440 | 0.966 | 150 | 1397 | ||
15 | B2 | 895 | 883 | 0.986 | 150 | 1398 | ||
16 | B2 | 631 | 625 | 0.991 | 150 | 1399 | ||
17 | E | 3123 | 2959 | 0.947 | 150 | 1400 | ||
18 | E | 3072 | 2862 | 0.932 | 150 | 1401 | ||
19 | E | 1482 | 1441 | 0.972 | 150 | 1402 | ||
20 | E | 1295 | 1252 | 0.967 | 150 | 1403 | ||
21 | E | 1257 | 1217 | 0.968 | 150 | 1404 | ||
22 | E | 933 | 893 | 0.958 | 150 | 1405 | ||
23 | E | 757 | 746 | 0.985 | 150 | 1406 | ||
C6H6 | Fulvene | 1 | A1 | 3258 | 3088 | 0.948 | 151 | 1407 |
2 | A1 | 3234 | 3051 | 0.943 | 151 | 1408 | ||
3 | A1 | 3162 | 3008 | 0.951 | 151 | 1409 | ||
4 | A1 | 1724 | 1632 | 0.947 | 151 | 1410 | ||
5 | A1 | 1555 | 1486 | 0.956 | 151 | 1411 | ||
6 | A1 | 1459 | 1449 | 0.993 | 151 | 1412 | ||
7 | A1 | 1379 | 1342 | 0.973 | 151 | 1413 | ||
8 | A1 | 1105 | 1082 | 0.979 | 151 | 1414 | ||
9 | A1 | 1018 | 986 | 0.969 | 151 | 1415 | ||
10 | A1 | 921 | 894 | 0.971 | 151 | 1416 | ||
11 | A1 | 682 | 641 | 0.939 | 151 | 1417 | ||
12 | A2 | 959 | 151 | 1418 | ||||
13 | A2 | 791 | 151 | 1419 | ||||
14 | A2 | 700 | 666 | 0.951 | 151 | 1420 | ||
15 | A2 | 496 | 494 | 0.996 | 151 | 1421 | ||
16 | B1 | 980 | 926 | 0.945 | 151 | 1422 | ||
17 | B1 | 946 | 907 | 0.959 | 151 | 1423 | ||
18 | B1 | 803 | 769 | 0.957 | 151 | 1424 | ||
19 | B1 | 643 | 613 | 0.953 | 151 | 1425 | ||
20 | B1 | 208 | 151 | 1426 | ||||
21 | B2 | 3253 | 151 | 1427 | ||||
22 | B2 | 3251 | 3104 | 0.955 | 151 | 1428 | ||
23 | B2 | 3224 | 3075 | 0.954 | 151 | 1429 | ||
24 | B2 | 1637 | 1550 | 0.947 | 151 | 1430 | ||
25 | B2 | 1354 | 1314 | 0.971 | 151 | 1431 | ||
26 | B2 | 1264 | 1232 | 0.975 | 151 | 1432 | ||
27 | B2 | 1109 | 1077 | 0.971 | 151 | 1433 | ||
28 | B2 | 969 | 952 | 0.983 | 151 | 1434 | ||
29 | B2 | 811 | 795 | 0.981 | 151 | 1435 | ||
30 | B2 | 341 | 350 | 1.028 | 151 | 1436 | ||
C3H6O3 | 1,3,5-Trioxane | 1 | A1 | 3159 | 3020 | 0.956 | 152 | 1437 |
2 | A1 | 2961 | 2855 | 0.964 | 152 | 1438 | ||
3 | A1 | 1522 | 1477 | 0.970 | 152 | 1439 | ||
4 | A1 | 1251 | 1168 | 0.934 | 152 | 1440 | ||
5 | A1 | 1008 | 970 | 0.962 | 152 | 1441 | ||
6 | A1 | 772 | 749 | 0.971 | 152 | 1442 | ||
7 | A1 | 459 | 476 | 1.037 | 152 | 1443 | ||
8 | A2 | 1406 | 152 | 1444 | ||||
9 | A2 | 1256 | 1255 | 0.999 | 152 | 1445 | ||
10 | A2 | 991 | 152 | 1446 | ||||
11 | E | 3155 | 3020 | 0.957 | 152 | 1447 | ||
12 | E | 2946 | 2855 | 0.969 | 152 | 1448 | ||
13 | E | 1505 | 1477 | 0.981 | 152 | 1449 | ||
14 | E | 1447 | 1412 | 0.976 | 152 | 1450 | ||
15 | E | 1339 | 1309 | 0.977 | 152 | 1451 | ||
16 | E | 1212 | 1168 | 0.963 | 152 | 1452 | ||
17 | E | 1094 | 1068 | 0.976 | 152 | 1453 | ||
18 | E | 982 | 935 | 0.953 | 152 | 1454 | ||
19 | E | 536 | 524 | 0.977 | 152 | 1455 | ||
20 | E | 293 | 307 | 1.047 | 152 | 1456 | ||
C5H8 | 1,3-Butadiene, 2-methyl- | 1 | A' | 3253 | 3095 | 0.951 | 153 | 1457 |
2 | A' | 3246 | 3095 | 0.954 | 153 | 1458 | ||
3 | A' | 3170 | 3000 | 0.946 | 153 | 1459 | ||
4 | A' | 3161 | 3000 | 0.949 | 153 | 1460 | ||
5 | A' | 3158 | 3000 | 0.950 | 153 | 1461 | ||
6 | A' | 3144 | 2984 | 0.949 | 153 | 1462 | ||
7 | A' | 3049 | 2904 | 0.953 | 153 | 1463 | ||
8 | A' | 1722 | 1638 | 0.951 | 153 | 1464 | ||
9 | A' | 1679 | 1607 | 0.957 | 153 | 1465 | ||
10 | A' | 1500 | 1464 | 0.976 | 153 | 1466 | ||
11 | A' | 1459 | 1420 | 0.974 | 153 | 1467 | ||
12 | A' | 1436 | 1389 | 0.967 | 153 | 1468 | ||
13 | A' | 1411 | 1363 | 0.966 | 153 | 1469 | ||
14 | A' | 1344 | 1313 | 0.977 | 153 | 1470 | ||
15 | A' | 1325 | 1303 | 0.983 | 153 | 1471 | ||
16 | A' | 1090 | 1072 | 0.983 | 153 | 1472 | ||
17 | A' | 1011 | 1012 | 1.001 | 153 | 1473 | ||
18 | A' | 969 | 953 | 0.983 | 153 | 1474 | ||
19 | A' | 806 | 770 | 0.956 | 153 | 1475 | ||
20 | A' | 535 | 530 | 0.991 | 153 | 1476 | ||
21 | A' | 424 | 396 | 0.933 | 153 | 1477 | ||
22 | A' | 274 | 196 | 0.715 | 153 | 1478 | ||
23 | A" | 3105 | 2949 | 0.950 | 153 | 1479 | ||
24 | A" | 1480 | 1451 | 0.981 | 153 | 1480 | ||
25 | A" | 1071 | 1034 | 0.966 | 153 | 1481 | ||
26 | A" | 1037 | 991 | 0.955 | 153 | 1482 | ||
27 | A" | 947 | 907 | 0.958 | 153 | 1483 | ||
28 | A" | 935 | 907 | 0.970 | 153 | 1484 | ||
29 | A" | 796 | 757 | 0.951 | 153 | 1485 | ||
30 | A" | 650 | 615 | 0.946 | 153 | 1486 | ||
31 | A" | 412 | 290 | 0.704 | 153 | 1487 | ||
32 | A" | 200 | 153 | 0.765 | 153 | 1488 | ||
C5H8 | Cyclopentene | 1 | A' | 3220 | 3066 | 0.952 | 154 | 1489 |
2 | A' | 3123 | 2958 | 0.947 | 154 | 1490 | ||
3 | A' | 3086 | 2916 | 0.945 | 154 | 1491 | ||
4 | A' | 3066 | 2902 | 0.947 | 154 | 1492 | ||
5 | A' | 3026 | 2852 | 0.943 | 154 | 1493 | ||
6 | A' | 1702 | 1616 | 0.950 | 154 | 1494 | ||
7 | A' | 1508 | 1467 | 0.973 | 154 | 1495 | ||
8 | A' | 1482 | 1449 | 0.978 | 154 | 1496 | ||
9 | A' | 1337 | 1302 | 0.974 | 154 | 1497 | ||
10 | A' | 1236 | 1284 | 1.039 | 154 | 1498 | ||
11 | A' | 1133 | 1213 | 1.071 | 154 | 1499 | ||
12 | A' | 1071 | 1048 | 0.978 | 154 | 1500 | ||
13 | A' | 991 | 964 | 0.972 | 154 | 1501 | ||
14 | A' | 924 | 962 | 1.041 | 154 | 1502 | ||
15 | A' | 827 | 904 | 1.093 | 154 | 1503 | ||
16 | A' | 721 | 692 | 0.960 | 154 | 1504 | ||
17 | A' | 613 | 603 | 0.983 | 154 | 1505 | ||
18 | A' | 144 | 254 | 1.765 | 154 | 1506 | ||
19 | A" | 3195 | 3039 | 0.951 | 154 | 1507 | ||
20 | A" | 3078 | 2967 | 0.964 | 154 | 1508 | ||
21 | A" | 3028 | 2927 | 0.967 | 154 | 1509 | ||
22 | A" | 1487 | 1467 | 0.986 | 154 | 1510 | ||
23 | A" | 1390 | 1432 | 1.030 | 154 | 1511 | ||
24 | A" | 1325 | 1356 | 1.023 | 154 | 1512 | ||
25 | A" | 1312 | 1302 | 0.992 | 154 | 1513 | ||
26 | A" | 1235 | 1297 | 1.050 | 154 | 1514 | ||
27 | A" | 1157 | 1207 | 1.044 | 154 | 1515 | ||
28 | A" | 1054 | 1113 | 1.056 | 154 | 1516 | ||
29 | A" | 986 | 1082 | 1.097 | 154 | 1517 | ||
30 | A" | 931 | 937 | 1.007 | 154 | 1518 | ||
31 | A" | 899 | 800 | 0.890 | 154 | 1519 | ||
32 | A" | 790 | 702 | 0.889 | 154 | 1520 | ||
33 | A" | 396 | 387 | 0.977 | 154 | 1521 | ||
C5H8 | 1,2-Butadiene, 3-methyl- | 1 | A1 | 3152 | 2987 | 0.948 | 155 | 1522 |
2 | A1 | 3133 | 2941 | 0.939 | 155 | 1523 | ||
3 | A1 | 3040 | 2916 | 0.959 | 155 | 1524 | ||
4 | A1 | 2081 | 1996 | 0.959 | 155 | 1525 | ||
5 | A1 | 1518 | 1470 | 0.968 | 155 | 1526 | ||
6 | A1 | 1471 | 1438 | 0.977 | 155 | 1527 | ||
7 | A1 | 1412 | 1369 | 0.969 | 155 | 1528 | ||
8 | A1 | 1323 | 1286 | 0.972 | 155 | 1529 | ||
9 | A1 | 1030 | 973 | 0.945 | 155 | 1530 | ||
10 | A1 | 749 | 726 | 0.969 | 155 | 1531 | ||
11 | A1 | 337 | 349 | 1.034 | 155 | 1532 | ||
12 | A2 | 3090 | 2941 | 0.952 | 155 | 1533 | ||
13 | A2 | 1473 | 1470 | 0.998 | 155 | 1534 | ||
14 | A2 | 1003 | 985 | 0.982 | 155 | 1535 | ||
15 | A2 | 618 | 617 | 0.999 | 155 | 1536 | ||
17 | B1 | 3206 | 3051 | 0.952 | 155 | 1537 | ||
18 | B1 | 3091 | 2941 | 0.951 | 155 | 1538 | ||
19 | B1 | 1490 | 1470 | 0.987 | 155 | 1539 | ||
20 | B1 | 1098 | 1068 | 0.972 | 155 | 1540 | ||
21 | B1 | 1023 | 1004 | 0.982 | 155 | 1541 | ||
22 | B1 | 466 | 443 | 0.951 | 155 | 1542 | ||
23 | B1 | 262 | 187 | 0.714 | 155 | 1543 | ||
25 | B2 | 3151 | 2941 | 0.933 | 155 | 1544 | ||
26 | B2 | 3036 | 2916 | 0.960 | 155 | 1545 | ||
27 | B2 | 1480 | 1470 | 0.993 | 155 | 1546 | ||
28 | B2 | 1397 | 1369 | 0.980 | 155 | 1547 | ||
29 | B2 | 1229 | 1191 | 0.969 | 155 | 1548 | ||
30 | B2 | 970 | 968 | 0.998 | 155 | 1549 | ||
31 | B2 | 883 | 848 | 0.961 | 155 | 1550 | ||
32 | B2 | 610 | 554 | 0.909 | 155 | 1551 | ||
33 | B2 | 185 | 187 | 1.012 | 155 | 1552 | ||
C5H8 | Spiropentane | 1 | A1 | 3142 | 3000 | 0.955 | 156 | 1553 |
2 | A1 | 1497 | 1423 | 0.951 | 156 | 1554 | ||
3 | A1 | 1101 | 1160 | 1.054 | 156 | 1555 | ||
4 | A1 | 1061 | 1037 | 0.977 | 156 | 1556 | ||
5 | A1 | 620 | 588 | 0.949 | 156 | 1557 | ||
6 | A2 | 3217 | 3070 | 0.954 | 156 | 1558 | ||
7 | A2 | 1176 | 1174 | 0.998 | 156 | 1559 | ||
8 | A2 | 841 | 919 | 1.092 | 156 | 1560 | ||
9 | B1 | 3216 | 3066 | 0.953 | 156 | 1561 | ||
10 | B1 | 1186 | 1166 | 0.983 | 156 | 1562 | ||
11 | B1 | 1029 | 888 | 0.863 | 156 | 1563 | ||
12 | B1 | 296 | 300 | 1.014 | 156 | 1564 | ||
13 | B2 | 3141 | 3000 | 0.955 | 156 | 1565 | ||
14 | B2 | 1604 | 1521 | 0.948 | 156 | 1566 | ||
15 | B2 | 1439 | 1415 | 0.983 | 156 | 1567 | ||
16 | B2 | 1018 | 990 | 0.972 | 156 | 1568 | ||
17 | B2 | 932 | 872 | 0.935 | 156 | 1569 | ||
18 | E | 3230 | 3067 | 0.950 | 156 | 1570 | ||
19 | E | 3138 | 2985 | 0.951 | 156 | 1571 | ||
20 | E | 1464 | 1431 | 0.977 | 156 | 1572 | ||
21 | E | 1191 | 1150 | 0.965 | 156 | 1573 | ||
22 | E | 1084 | 1049 | 0.967 | 156 | 1574 | ||
23 | E | 905 | 870 | 0.961 | 156 | 1575 | ||
24 | E | 792 | 780 | 0.985 | 156 | 1576 | ||
25 | E | 310 | 308 | 0.993 | 156 | 1577 | ||
N(CH3)3 | Trimethylamine | 1 | A1 | 3079 | 2953 | 0.959 | 157 | 1578 |
2 | A1 | 2939 | 2775 | 0.944 | 157 | 1579 | ||
3 | A1 | 1501 | 1459 | 0.972 | 157 | 1580 | ||
4 | A1 | 1481 | 1444 | 0.975 | 157 | 1581 | ||
5 | A1 | 1210 | 1186 | 0.980 | 157 | 1582 | ||
6 | A1 | 856 | 828 | 0.968 | 157 | 1583 | ||
7 | A1 | 347 | 367 | 1.057 | 157 | 1584 | ||
8 | A2 | 3121 | 2977 | 0.954 | 157 | 1585 | ||
9 | A2 | 1488 | 1453 | 0.976 | 157 | 1586 | ||
10 | A2 | 1069 | 1046 | 0.979 | 157 | 1587 | ||
11 | A2 | 252 | 255 | 1.011 | 157 | 1588 | ||
12 | E | 3124 | 2981 | 0.954 | 157 | 1589 | ||
13 | E | 3076 | 2953 | 0.960 | 157 | 1590 | ||
14 | E | 2927 | 2776 | 0.949 | 157 | 1591 | ||
15 | E | 1513 | 1471 | 0.972 | 157 | 1592 | ||
16 | E | 1480 | 1444 | 0.975 | 157 | 1593 | ||
17 | E | 1439 | 1409 | 0.979 | 157 | 1594 | ||
18 | E | 1322 | 1275 | 0.964 | 157 | 1595 | ||
19 | E | 1122 | 1103 | 0.983 | 157 | 1596 | ||
20 | E | 1076 | 1043 | 0.970 | 157 | 1597 | ||
21 | E | 415 | 424 | 1.020 | 157 | 1598 | ||
22 | E | 267 | 281 | 1.051 | 157 | 1599 | ||
CHOCH(CH3)CH3 | Propanal, 2-methyl- | 1 | A' | 3133 | 2974 | 0.949 | 158 | 1600 |
2 | A' | 3124 | 2953 | 0.945 | 158 | 1601 | ||
3 | A' | 3085 | 2940 | 0.953 | 158 | 1602 | ||
4 | A' | 3049 | 2876 | 0.943 | 158 | 1603 | ||
5 | A' | 2859 | 2757 | 0.964 | 158 | 1604 | ||
6 | A' | 1846 | 1752 | 0.949 | 158 | 1605 | ||
7 | A' | 1512 | 1474 | 0.975 | 158 | 1606 | ||
8 | A' | 1504 | 1449 | 0.964 | 158 | 1607 | ||
9 | A' | 1427 | 1399 | 0.981 | 158 | 1608 | ||
10 | A' | 1411 | 1381 | 0.979 | 158 | 1609 | ||
11 | A' | 1319 | 1329 | 1.008 | 158 | 1610 | ||
12 | A' | 1189 | 1182 | 0.995 | 158 | 1611 | ||
13 | A' | 1187 | 1138 | 0.959 | 158 | 1612 | ||
14 | A' | 932 | 922 | 0.990 | 158 | 1613 | ||
15 | A' | 853 | 800 | 0.938 | 158 | 1614 | ||
16 | A' | 549 | 632 | 1.152 | 158 | 1615 | ||
17 | A' | 347 | 395 | 1.139 | 158 | 1616 | ||
18 | A' | 328 | 272 | 0.829 | 158 | 1617 | ||
19 | A' | 227 | 212 | 0.935 | 158 | 1618 | ||
20 | A" | 3132 | 2990 | 0.955 | 158 | 1619 | ||
21 | A" | 3118 | 2982 | 0.956 | 158 | 1620 | ||
22 | A" | 3047 | 2885 | 0.947 | 158 | 1621 | ||
23 | A" | 1490 | 1467 | 0.984 | 158 | 1622 | ||
24 | A" | 1487 | 1452 | 0.977 | 158 | 1623 | ||
25 | A" | 1398 | 1437 | 1.028 | 158 | 1624 | ||
26 | A" | 1348 | 1290 | 0.957 | 158 | 1625 | ||
27 | A" | 1148 | 1109 | 0.966 | 158 | 1626 | ||
28 | A" | 1000 | 965 | 0.965 | 158 | 1627 | ||
29 | A" | 959 | 942 | 0.982 | 158 | 1628 | ||
30 | A" | 933 | 933 | 1.000 | 158 | 1629 | ||
31 | A" | 325 | 351 | 1.080 | 158 | 1630 | ||
32 | A" | 208 | 227 | 1.093 | 158 | 1631 | ||
33 | A" | 66 | 75 | 1.140 | 158 | 1632 | ||
CH3CH(CH3)CH3 | Isobutane | 1 | A1 | 3114 | 2965 | 0.952 | 159 | 1633 |
2 | A1 | 3044 | 2904 | 0.954 | 159 | 1634 | ||
3 | A1 | 3026 | 2880 | 0.952 | 159 | 1635 | ||
4 | A1 | 1512 | 1477 | 0.977 | 159 | 1636 | ||
5 | A1 | 1426 | 1394 | 0.978 | 159 | 1637 | ||
6 | A1 | 1213 | 1177 | 0.970 | 159 | 1638 | ||
7 | A1 | 813 | 797 | 0.981 | 159 | 1639 | ||
8 | A1 | 429 | 426 | 0.992 | 159 | 1640 | ||
9 | A2 | 3114 | 159 | 1641 | ||||
10 | A2 | 1480 | 159 | 1642 | ||||
11 | A2 | 953 | 159 | 1643 | ||||
12 | A2 | 210 | 198 | 0.941 | 159 | 1644 | ||
13 | E | 3118 | 2962 | 0.950 | 159 | 1645 | ||
14 | E | 3105 | 2951 | 0.950 | 159 | 1646 | ||
15 | E | 3037 | 2887 | 0.951 | 159 | 1647 | ||
16 | E | 1507 | 1468 | 0.974 | 159 | 1648 | ||
17 | E | 1486 | 1459 | 0.982 | 159 | 1649 | ||
18 | E | 1399 | 1371 | 0.980 | 159 | 1650 | ||
19 | E | 1361 | 1330 | 0.977 | 159 | 1651 | ||
20 | E | 1201 | 1166 | 0.971 | 159 | 1652 | ||
21 | E | 984 | 961 | 0.977 | 159 | 1653 | ||
22 | E | 922 | 918 | 0.995 | 159 | 1654 | ||
23 | E | 356 | 367 | 1.031 | 159 | 1655 | ||
24 | E | 254 | 280 | 1.104 | 159 | 1656 | ||
CH3CH2CH2CH3 | Butane | 1 | Ag | 3120 | 2965 | 0.950 | 160 | 1657 |
2 | Ag | 3046 | 2872 | 0.943 | 160 | 1658 | ||
3 | Ag | 3029 | 2853 | 0.942 | 160 | 1659 | ||
4 | Ag | 1505 | 1460 | 0.970 | 160 | 1660 | ||
5 | Ag | 1488 | 1442 | 0.969 | 160 | 1661 | ||
6 | Ag | 1409 | 1382 | 0.981 | 160 | 1662 | ||
7 | Ag | 1401 | 1361 | 0.972 | 160 | 1663 | ||
8 | Ag | 1177 | 1151 | 0.978 | 160 | 1664 | ||
9 | Ag | 1089 | 1059 | 0.972 | 160 | 1665 | ||
10 | Ag | 851 | 837 | 0.984 | 160 | 1666 | ||
11 | Ag | 423 | 425 | 1.004 | 160 | 1667 | ||
12 | Au | 3116 | 2968 | 0.953 | 160 | 1668 | ||
13 | Au | 3075 | 2930 | 0.953 | 160 | 1669 | ||
14 | Au | 1499 | 1461 | 0.975 | 160 | 1670 | ||
15 | Au | 1293 | 1257 | 0.973 | 160 | 1671 | ||
16 | Au | 964 | 948 | 0.983 | 160 | 1672 | ||
17 | Au | 736 | 731 | 0.994 | 160 | 1673 | ||
18 | Au | 217 | 194 | 0.892 | 160 | 1674 | ||
19 | Au | 123 | 102 | 0.831 | 160 | 1675 | ||
20 | Bg | 3112 | 2965 | 0.953 | 160 | 1676 | ||
21 | Bg | 3052 | 2912 | 0.954 | 160 | 1677 | ||
22 | Bg | 1497 | 1460 | 0.975 | 160 | 1678 | ||
23 | Bg | 1338 | 1300 | 0.972 | 160 | 1679 | ||
24 | Bg | 1211 | 1180 | 0.974 | 160 | 1680 | ||
25 | Bg | 809 | 803 | 0.992 | 160 | 1681 | ||
26 | Bg | 256 | 225 | 0.878 | 160 | 1682 | ||
27 | Bu | 3121 | 2968 | 0.951 | 160 | 1683 | ||
28 | Bu | 3045 | 2870 | 0.942 | 160 | 1684 | ||
29 | Bu | 3037 | 2853 | 0.939 | 160 | 1685 | ||
30 | Bu | 1512 | 1461 | 0.966 | 160 | 1686 | ||
31 | Bu | 1491 | 1461 | 0.980 | 160 | 1687 | ||
32 | Bu | 1411 | 1379 | 0.977 | 160 | 1688 | ||
33 | Bu | 1325 | 1290 | 0.974 | 160 | 1689 | ||
34 | Bu | 1037 | 1009 | 0.973 | 160 | 1690 | ||
35 | Bu | 981 | 964 | 0.982 | 160 | 1691 | ||
36 | Bu | 253 | 271 | 1.071 | 160 | 1692 | ||
C6H8 | (E)-hexa-1,3,5-triene | 1 | Ag | 3252 | 3085 | 0.949 | 161 | 1693 |
2 | Ag | 3163 | 3054 | 0.965 | 161 | 1694 | ||
3 | Ag | 3157 | 3054 | 0.967 | 161 | 1695 | ||
4 | Ag | 3150 | 2989 | 0.949 | 161 | 1696 | ||
5 | Ag | 1716 | 1627 | 0.948 | 161 | 1697 | ||
6 | Ag | 1654 | 1579 | 0.954 | 161 | 1698 | ||
7 | Ag | 1439 | 1400 | 0.973 | 161 | 1699 | ||
8 | Ag | 1332 | 1288 | 0.967 | 161 | 1700 | ||
9 | Ag | 1320 | 1220 | 0.925 | 161 | 1701 | ||
10 | Ag | 1228 | 1192 | 0.971 | 161 | 1702 | ||
11 | Ag | 949 | 934 | 0.984 | 161 | 1703 | ||
12 | Ag | 447 | 444 | 0.993 | 161 | 1704 | ||
13 | Ag | 349 | 355 | 1.018 | 161 | 1705 | ||
14 | Au | 1062 | 1013 | 0.954 | 161 | 1706 | ||
15 | Au | 977 | 941 | 0.963 | 161 | 1707 | ||
16 | Au | 939 | 901 | 0.960 | 161 | 1708 | ||
17 | Au | 719 | 683 | 0.951 | 161 | 1709 | ||
18 | Au | 257 | 161 | 1710 | ||||
19 | Au | 99 | 90 | 0.910 | 161 | 1711 | ||
20 | Bg | 1032 | 988 | 0.957 | 161 | 1712 | ||
21 | Bg | 945 | 928 | 0.982 | 161 | 1713 | ||
22 | Bg | 913 | 872 | 0.955 | 161 | 1714 | ||
23 | Bg | 621 | 161 | 1715 | ||||
24 | Bg | 225 | 217 | 0.966 | 161 | 1716 | ||
25 | Bu | 3252 | 3099 | 0.953 | 161 | 1717 | ||
26 | Bu | 3165 | 3045 | 0.962 | 161 | 1718 | ||
27 | Bu | 3160 | 3019 | 0.955 | 161 | 1719 | ||
28 | Bu | 3150 | 2953 | 0.937 | 161 | 1720 | ||
29 | Bu | 1706 | 1629 | 0.955 | 161 | 1721 | ||
30 | Bu | 1469 | 1432 | 0.975 | 161 | 1722 | ||
31 | Bu | 1329 | 1295 | 0.974 | 161 | 1723 | ||
32 | Bu | 1282 | 1255 | 0.979 | 161 | 1724 | ||
33 | Bu | 1168 | 1186 | 1.016 | 161 | 1725 | ||
34 | Bu | 984 | 963 | 0.978 | 161 | 1726 | ||
35 | Bu | 541 | 590 | 1.091 | 161 | 1727 | ||
36 | Bu | 146 | 170 | 1.167 | 161 | 1728 | ||
C4H9N | Pyrrolidine | 1 | A' | 3575 | 3356 | 0.939 | 162 | 1729 |
2 | A' | 3137 | 2975 | 0.948 | 162 | 1730 | ||
3 | A' | 3098 | 2927 | 0.945 | 162 | 1731 | ||
4 | A' | 3085 | 2889 | 0.937 | 162 | 1732 | ||
5 | A' | 2948 | 2824 | 0.958 | 162 | 1733 | ||
6 | A' | 1535 | 1484 | 0.967 | 162 | 1734 | ||
7 | A' | 1507 | 1447 | 0.960 | 162 | 1735 | ||
8 | A' | 1403 | 1292 | 0.921 | 162 | 1736 | ||
9 | A' | 1323 | 1273 | 0.962 | 162 | 1737 | ||
10 | A' | 1255 | 1228 | 0.979 | 162 | 1738 | ||
11 | A' | 1232 | 1181 | 0.958 | 162 | 1739 | ||
12 | A' | 1082 | 974 | 0.900 | 162 | 1740 | ||
13 | A' | 1013 | 920 | 0.908 | 162 | 1741 | ||
14 | A' | 960 | 901 | 0.939 | 162 | 1742 | ||
15 | A' | 921 | 871 | 0.946 | 162 | 1743 | ||
16 | A' | 883 | 832 | 0.943 | 162 | 1744 | ||
17 | A' | 769 | 789 | 1.026 | 162 | 1745 | ||
18 | A' | 580 | 579 | 0.999 | 162 | 1746 | ||
19 | A' | 296 | 299 | 1.011 | 162 | 1747 | ||
20 | A" | 3116 | 2967 | 0.952 | 162 | 1748 | ||
21 | A" | 3090 | 2916 | 0.944 | 162 | 1749 | ||
22 | A" | 3078 | 2879 | 0.935 | 162 | 1750 | ||
23 | A" | 2945 | 2818 | 0.957 | 162 | 1751 | ||
24 | A" | 1515 | 1459 | 0.963 | 162 | 1752 | ||
25 | A" | 1488 | 1412 | 0.949 | 162 | 1753 | ||
26 | A" | 1449 | 1341 | 0.926 | 162 | 1754 | ||
27 | A" | 1333 | 1268 | 0.951 | 162 | 1755 | ||
28 | A" | 1315 | 1211 | 0.921 | 162 | 1756 | ||
29 | A" | 1254 | 1203 | 0.960 | 162 | 1757 | ||
30 | A" | 1211 | 1171 | 0.967 | 162 | 1758 | ||
31 | A" | 1151 | 1099 | 0.955 | 162 | 1759 | ||
32 | A" | 1116 | 1023 | 0.916 | 162 | 1760 | ||
33 | A" | 949 | 883 | 0.930 | 162 | 1761 | ||
34 | A" | 878 | 848 | 0.966 | 162 | 1762 | ||
35 | A" | 641 | 600 | 0.936 | 162 | 1763 | ||
36 | A" | 84 | 65 | 0.771 | 162 | 1764 | ||
C4H9N | Cyclobutylamine | 1 | A' | 3523 | 3345 | 0.949 | 163 | 1765 |
2 | A' | 3151 | 2975 | 0.944 | 163 | 1766 | ||
3 | A' | 3121 | 2950 | 0.945 | 163 | 1767 | ||
4 | A' | 3092 | 2918 | 0.944 | 163 | 1768 | ||
5 | A' | 3076 | 2905 | 0.944 | 163 | 1769 | ||
6 | A' | 2992 | 2887 | 0.965 | 163 | 1770 | ||
7 | A' | 1656 | 1614 | 0.974 | 163 | 1771 | ||
8 | A' | 1502 | 1467 | 0.977 | 163 | 1772 | ||
9 | A' | 1475 | 1443 | 0.978 | 163 | 1773 | ||
10 | A' | 1391 | 1390 | 0.999 | 163 | 1774 | ||
11 | A' | 1296 | 1291 | 0.996 | 163 | 1775 | ||
12 | A' | 1249 | 1237 | 0.991 | 163 | 1776 | ||
13 | A' | 1170 | 1137 | 0.972 | 163 | 1777 | ||
14 | A' | 1096 | 1120 | 1.022 | 163 | 1778 | ||
15 | A' | 978 | 1050 | 1.074 | 163 | 1779 | ||
16 | A' | 898 | 965 | 1.075 | 163 | 1780 | ||
17 | A' | 871 | 788 | 0.905 | 163 | 1781 | ||
18 | A' | 821 | 752 | 0.916 | 163 | 1782 | ||
19 | A' | 669 | 606 | 0.906 | 163 | 1783 | ||
20 | A' | 402 | 448 | 1.115 | 163 | 1784 | ||
21 | A' | 158 | 174 | 1.099 | 163 | 1785 | ||
22 | A" | 3605 | 3411 | 0.946 | 163 | 1786 | ||
23 | A" | 3127 | 2970 | 0.950 | 163 | 1787 | ||
24 | A" | 3072 | 2957 | 0.963 | 163 | 1788 | ||
25 | A" | 1466 | 1452 | 0.990 | 163 | 1789 | ||
26 | A" | 1353 | 1213 | 0.897 | 163 | 1790 | ||
27 | A" | 1279 | 1185 | 0.926 | 163 | 1791 | ||
28 | A" | 1266 | 1168 | 0.922 | 163 | 1792 | ||
29 | A" | 1231 | 1036 | 0.842 | 163 | 1793 | ||
30 | A" | 1174 | 163 | 1794 | ||||
31 | A" | 1036 | 925 | 0.893 | 163 | 1795 | ||
32 | A" | 959 | 912 | 0.951 | 163 | 1796 | ||
33 | A" | 931 | 883 | 0.948 | 163 | 1797 | ||
34 | A" | 770 | 788 | 1.024 | 163 | 1798 | ||
35 | A" | 392 | 354 | 0.903 | 163 | 1799 | ||
36 | A" | 268 | 240 | 0.897 | 163 | 1800 | ||
C4H8O2 | 1,4-Dioxane | 1 | Ag | 3112 | 2968 | 0.954 | 164 | 1801 |
2 | Ag | 2995 | 2856 | 0.953 | 164 | 1802 | ||
3 | Ag | 1494 | 1444 | 0.967 | 164 | 1803 | ||
4 | Ag | 1427 | 1397 | 0.979 | 164 | 1804 | ||
5 | Ag | 1338 | 1305 | 0.976 | 164 | 1805 | ||
6 | Ag | 1152 | 1128 | 0.979 | 164 | 1806 | ||
7 | Ag | 1046 | 1015 | 0.971 | 164 | 1807 | ||
8 | Ag | 867 | 837 | 0.966 | 164 | 1808 | ||
9 | Ag | 437 | 435 | 0.995 | 164 | 1809 | ||
10 | Ag | 412 | 424 | 1.028 | 164 | 1810 | ||
11 | Au | 3110 | 2970 | 0.955 | 164 | 1811 | ||
12 | Au | 2989 | 2863 | 0.958 | 164 | 1812 | ||
13 | Au | 1480 | 1449 | 0.979 | 164 | 1813 | ||
14 | Au | 1395 | 1369 | 0.982 | 164 | 1814 | ||
15 | Au | 1291 | 1256 | 0.973 | 164 | 1815 | ||
16 | Au | 1178 | 1136 | 0.964 | 164 | 1816 | ||
17 | Au | 1111 | 1086 | 0.978 | 164 | 1817 | ||
18 | Au | 909 | 881 | 0.969 | 164 | 1818 | ||
19 | Au | 248 | 288 | 1.159 | 164 | 1819 | ||
20 | Bg | 3110 | 2968 | 0.954 | 164 | 1820 | ||
21 | Bg | 3002 | 2856 | 0.951 | 164 | 1821 | ||
22 | Bg | 1479 | 1459 | 0.986 | 164 | 1822 | ||
23 | Bg | 1362 | 1335 | 0.980 | 164 | 1823 | ||
24 | Bg | 1245 | 1217 | 0.978 | 164 | 1824 | ||
25 | Bg | 1168 | 1110 | 0.951 | 164 | 1825 | ||
26 | Bg | 867 | 853 | 0.984 | 164 | 1826 | ||
27 | Bg | 490 | 490 | 1.000 | 164 | 1827 | ||
28 | Bu | 3111 | 2970 | 0.955 | 164 | 1828 | ||
29 | Bu | 3006 | 2863 | 0.953 | 164 | 1829 | ||
30 | Bu | 1488 | 1457 | 0.979 | 164 | 1830 | ||
31 | Bu | 1413 | 1378 | 0.975 | 164 | 1831 | ||
32 | Bu | 1325 | 1291 | 0.974 | 164 | 1832 | ||
33 | Bu | 1075 | 1052 | 0.979 | 164 | 1833 | ||
34 | Bu | 914 | 889 | 0.973 | 164 | 1834 | ||
35 | Bu | 607 | 610 | 1.005 | 164 | 1835 | ||
36 | Bu | 263 | 274 | 1.042 | 164 | 1836 | ||
C6H5CHO | benzaldehyde | 1 | A' | 3223 | 3099 | 0.962 | 165 | 1837 |
2 | A' | 3217 | 3081 | 0.958 | 165 | 1838 | ||
3 | A' | 3207 | 3081 | 0.961 | 165 | 1839 | ||
4 | A' | 3195 | 3043 | 0.952 | 165 | 1840 | ||
5 | A' | 3184 | 3034 | 0.953 | 165 | 1841 | ||
6 | A' | 2907 | 2806 | 0.965 | 165 | 1842 | ||
7 | A' | 1814 | 1728 | 0.953 | 165 | 1843 | ||
8 | A' | 1669 | 1614 | 0.967 | 165 | 1844 | ||
9 | A' | 1652 | 1603 | 0.970 | 165 | 1845 | ||
10 | A' | 1537 | 1492 | 0.971 | 165 | 1846 | ||
11 | A' | 1500 | 1460 | 0.973 | 165 | 1847 | ||
12 | A' | 1425 | 1387 | 0.973 | 165 | 1848 | ||
13 | A' | 1376 | 1314 | 0.955 | 165 | 1849 | ||
14 | A' | 1345 | 1276 | 0.949 | 165 | 1850 | ||
15 | A' | 1240 | 1202 | 0.969 | 165 | 1851 | ||
16 | A' | 1192 | 1168 | 0.980 | 165 | 1852 | ||
17 | A' | 1187 | 1158 | 0.976 | 165 | 1853 | ||
18 | A' | 1109 | 1074 | 0.968 | 165 | 1854 | ||
19 | A' | 1056 | 1026 | 0.972 | 165 | 1855 | ||
20 | A' | 1027 | 996 | 0.970 | 165 | 1856 | ||
21 | A' | 848 | 825 | 0.973 | 165 | 1857 | ||
22 | A' | 665 | 649 | 0.976 | 165 | 1858 | ||
23 | A' | 629 | 617 | 0.980 | 165 | 1859 | ||
24 | A' | 444 | 437 | 0.985 | 165 | 1860 | ||
25 | A' | 218 | 224 | 1.030 | 165 | 1861 | ||
26 | A" | 1048 | 1003 | 0.958 | 165 | 1862 | ||
27 | A" | 1030 | 996 | 0.967 | 165 | 1863 | ||
28 | A" | 1013 | 978 | 0.966 | 165 | 1864 | ||
29 | A" | 957 | 918 | 0.959 | 165 | 1865 | ||
30 | A" | 878 | 852 | 0.971 | 165 | 1866 | ||
31 | A" | 773 | 740 | 0.957 | 165 | 1867 | ||
32 | A" | 715 | 688 | 0.962 | 165 | 1868 | ||
33 | A" | 468 | 450 | 0.962 | 165 | 1869 | ||
34 | A" | 420 | 400 | 0.952 | 165 | 1870 | ||
35 | A" | 238 | 217 | 0.911 | 165 | 1871 | ||
36 | A" | 119 | 111 | 0.932 | 165 | 1872 | ||
C8H8 | cubane | 1 | A1g | 3158 | 2995 | 0.948 | 166 | 1873 |
2 | A1g | 1044 | 1002 | 0.960 | 166 | 1874 | ||
3 | A2u | 3121 | 2978 | 0.954 | 166 | 1875 | ||
4 | A2u | 1051 | 839 | 0.799 | 166 | 1876 | ||
5 | Eg | 1137 | 1083 | 0.953 | 166 | 1877 | ||
6 | Eg | 931 | 912 | 0.979 | 166 | 1878 | ||
7 | Eu | 1186 | 1151 | 0.971 | 166 | 1879 | ||
8 | Eu | 627 | 617 | 0.985 | 166 | 1880 | ||
9 | T1g | 1170 | 1130 | 0.966 | 166 | 1881 | ||
10 | T1u | 3140 | 2978 | 0.948 | 166 | 1882 | ||
11 | T1u | 1284 | 1230 | 0.958 | 166 | 1883 | ||
12 | T1u | 888 | 853 | 0.961 | 166 | 1884 | ||
13 | T2g | 3132 | 2970 | 0.948 | 166 | 1885 | ||
14 | T2g | 1240 | 1182 | 0.953 | 166 | 1886 | ||
15 | T2g | 858 | 821 | 0.957 | 166 | 1887 | ||
16 | T2g | 682 | 665 | 0.975 | 166 | 1888 | ||
17 | T2u | 1091 | 1036 | 0.949 | 166 | 1889 | ||
18 | T2u | 855 | 829 | 0.970 | 166 | 1890 | ||
C5H12 | Pentane | 1 | A1 | 3120 | 2973 | 0.953 | 167 | 1891 |
2 | A1 | 3046 | 2892 | 0.950 | 167 | 1892 | ||
3 | A1 | 3040 | 2866 | 0.943 | 167 | 1893 | ||
4 | A1 | 3021 | 2866 | 0.949 | 167 | 1894 | ||
5 | A1 | 1514 | 1480 | 0.978 | 167 | 1895 | ||
6 | A1 | 1497 | 1463 | 0.977 | 167 | 1896 | ||
7 | A1 | 1486 | 1450 | 0.976 | 167 | 1897 | ||
8 | A1 | 1415 | 1379 | 0.975 | 167 | 1898 | ||
9 | A1 | 1372 | 1346 | 0.981 | 167 | 1899 | ||
10 | A1 | 1172 | 1144 | 0.976 | 167 | 1900 | ||
11 | A1 | 1066 | 1036 | 0.972 | 167 | 1901 | ||
12 | A1 | 881 | 867 | 0.984 | 167 | 1902 | ||
13 | A1 | 400 | 401 | 1.003 | 167 | 1903 | ||
14 | A1 | 174 | 179 | 1.028 | 167 | 1904 | ||
15 | A2 | 3113 | 2967 | 0.953 | 167 | 1905 | ||
16 | A2 | 3063 | 2908 | 0.949 | 167 | 1906 | ||
17 | A2 | 1499 | 1462 | 0.975 | 167 | 1907 | ||
18 | A2 | 1337 | 1346 | 1.007 | 167 | 1908 | ||
19 | A2 | 1270 | 1269 | 0.999 | 167 | 1909 | ||
20 | A2 | 996 | 993 | 0.997 | 167 | 1910 | ||
21 | A2 | 765 | 766 | 1.002 | 167 | 1911 | ||
22 | A2 | 244 | 210 | 0.859 | 167 | 1912 | ||
23 | A2 | 113 | 131 | 1.156 | 167 | 1913 | ||
24 | B1 | 3115 | 2965 | 0.952 | 167 | 1914 | ||
25 | B1 | 3080 | 2930 | 0.951 | 167 | 1915 | ||
26 | B1 | 3044 | 2930 | 0.963 | 167 | 1916 | ||
27 | B1 | 1498 | 1469 | 0.981 | 167 | 1917 | ||
28 | B1 | 1330 | 1303 | 0.980 | 167 | 1918 | ||
29 | B1 | 1210 | 1170 | 0.967 | 167 | 1919 | ||
30 | B1 | 867 | 858 | 0.989 | 167 | 1920 | ||
31 | B1 | 733 | 727 | 0.992 | 167 | 1921 | ||
32 | B1 | 238 | 215 | 0.905 | 167 | 1922 | ||
33 | B1 | 116 | 88 | 0.761 | 167 | 1923 | ||
34 | B2 | 3120 | 2965 | 0.950 | 167 | 1924 | ||
35 | B2 | 3045 | 2879 | 0.946 | 167 | 1925 | ||
36 | B2 | 3033 | 2866 | 0.945 | 167 | 1926 | ||
37 | B2 | 1506 | 1476 | 0.980 | 167 | 1927 | ||
38 | B2 | 1488 | 1456 | 0.978 | 167 | 1928 | ||
39 | B2 | 1412 | 1389 | 0.984 | 167 | 1929 | ||
40 | B2 | 1408 | 1379 | 0.979 | 167 | 1930 | ||
41 | B2 | 1293 | 1269 | 0.982 | 167 | 1931 | ||
42 | B2 | 1095 | 1073 | 0.980 | 167 | 1932 | ||
43 | B2 | 1050 | 1024 | 0.975 | 167 | 1933 | ||
44 | B2 | 940 | 910 | 0.968 | 167 | 1934 | ||
45 | B2 | 392 | 406 | 1.036 | 167 | 1935 | ||
C5H12 | Propane, 2,2-dimethyl- | 1 | A1 | 3047 | 2909 | 0.955 | 168 | 1936 |
2 | A1 | 1436 | 1381 | 0.961 | 168 | 1937 | ||
3 | A1 | 744 | 733 | 0.985 | 168 | 1938 | ||
4 | A2 | 251 | 198 | 0.790 | 168 | 1939 | ||
5 | E | 3113 | 2955 | 0.949 | 168 | 1940 | ||
6 | E | 1493 | 1451 | 0.972 | 168 | 1941 | ||
7 | E | 1096 | 999 | 0.912 | 168 | 1942 | ||
8 | E | 334 | 335 | 1.004 | 168 | 1943 | ||
9 | T1 | 3112 | 2975 | 0.956 | 168 | 1944 | ||
10 | T1 | 1486 | 1461 | 0.983 | 168 | 1945 | ||
11 | T1 | 965 | 932 | 0.966 | 168 | 1946 | ||
12 | T1 | 314 | 203 | 0.646 | 168 | 1947 | ||
13 | T2 | 3116 | 2959 | 0.950 | 168 | 1948 | ||
14 | T2 | 3039 | 2876 | 0.946 | 168 | 1949 | ||
15 | T2 | 1523 | 1475 | 0.968 | 168 | 1950 | ||
16 | T2 | 1399 | 1372 | 0.981 | 168 | 1951 | ||
17 | T2 | 1290 | 1256 | 0.974 | 168 | 1952 | ||
18 | T2 | 949 | 925 | 0.975 | 168 | 1953 | ||
19 | T2 | 418 | 418 | 1.000 | 168 | 1954 | ||
C6H14 | Hexane | 1 | Ag | 3119 | 2966 | 0.951 | 169 | 1955 |
2 | Ag | 3045 | 2877 | 0.945 | 169 | 1956 | ||
3 | Ag | 3035 | 2863 | 0.943 | 169 | 1957 | ||
4 | Ag | 3019 | 2852 | 0.945 | 169 | 1958 | ||
5 | Ag | 1508 | 1460 | 0.968 | 169 | 1959 | ||
6 | Ag | 1492 | 1460 | 0.979 | 169 | 1960 | ||
7 | Ag | 1485 | 1440 | 0.970 | 169 | 1961 | ||
8 | Ag | 1414 | 1397 | 0.988 | 169 | 1962 | ||
9 | Ag | 1408 | 1366 | 0.970 | 169 | 1963 | ||
10 | Ag | 1340 | 1305 | 0.974 | 169 | 1964 | ||
11 | Ag | 1170 | 1140 | 0.974 | 169 | 1965 | ||
12 | Ag | 1094 | 1065 | 0.974 | 169 | 1966 | ||
13 | Ag | 1035 | 1007 | 0.973 | 169 | 1967 | ||
14 | Ag | 912 | 901 | 0.988 | 169 | 1968 | ||
15 | Ag | 368 | 371 | 1.009 | 169 | 1969 | ||
16 | Ag | 292 | 305 | 1.044 | 169 | 1970 | ||
17 | Au | 3114 | 2967 | 0.953 | 169 | 1971 | ||
18 | Au | 3082 | 2936 | 0.953 | 169 | 1972 | ||
19 | Au | 3053 | 2920 | 0.956 | 169 | 1973 | ||
20 | Au | 1499 | 1460 | 0.974 | 169 | 1974 | ||
21 | Au | 1337 | 1303 | 0.974 | 169 | 1975 | ||
22 | Au | 1256 | 1222 | 0.973 | 169 | 1976 | ||
23 | Au | 1016 | 1010 | 0.994 | 169 | 1977 | ||
24 | Au | 805 | 824 | 1.023 | 169 | 1978 | ||
25 | Au | 731 | 726 | 0.993 | 169 | 1979 | ||
26 | Au | 251 | 216 | 0.861 | 169 | 1980 | ||
27 | Au | 101 | 94 | 0.934 | 169 | 1981 | ||
28 | Au | 71 | 61 | 0.859 | 169 | 1982 | ||
29 | Bg | 3113 | 2966 | 0.953 | 169 | 1983 | ||
30 | Bg | 3069 | 2908 | 0.947 | 169 | 1984 | ||
31 | Bg | 3040 | 2908 | 0.956 | 169 | 1985 | ||
32 | Bg | 1499 | 1460 | 0.974 | 169 | 1986 | ||
33 | Bg | 1334 | 1305 | 0.978 | 169 | 1987 | ||
34 | Bg | 1310 | 1283 | 0.979 | 169 | 1988 | ||
35 | Bg | 1209 | 1168 | 0.966 | 169 | 1989 | ||
36 | Bg | 907 | 894 | 0.986 | 169 | 1990 | ||
37 | Bg | 745 | 740 | 0.994 | 169 | 1991 | ||
38 | Bg | 239 | 208 | 0.869 | 169 | 1992 | ||
39 | Bg | 147 | 125 | 0.850 | 169 | 1993 | ||
40 | Bu | 3119 | 2967 | 0.951 | 169 | 1994 | ||
41 | Bu | 3045 | 2884 | 0.947 | 169 | 1995 | ||
42 | Bu | 3039 | 2867 | 0.943 | 169 | 1996 | ||
43 | Bu | 3023 | 2851 | 0.943 | 169 | 1997 | ||
44 | Bu | 1514 | 1476 | 0.975 | 169 | 1998 | ||
45 | Bu | 1500 | 1465 | 0.977 | 169 | 1999 | ||
46 | Bu | 1485 | 1452 | 0.978 | 169 | 2000 | ||
47 | Bu | 1412 | 1387 | 0.982 | 169 | 2001 | ||
48 | Bu | 1391 | 1375 | 0.988 | 169 | 2002 | ||
49 | Bu | 1273 | 1249 | 0.981 | 169 | 2003 | ||
50 | Bu | 1090 | 1061 | 0.974 | 169 | 2004 | ||
51 | Bu | 1068 | 1035 | 0.969 | 169 | 2005 | ||
52 | Bu | 903 | 888 | 0.983 | 169 | 2006 | ||
53 | Bu | 462 | 470 | 1.018 | 169 | 2007 | ||
54 | Bu | 130 | 139 | 1.072 | 169 | 2008 |
1200 | |||||||||||||||||||||||||||||||||||||||||||
1000 | |||||||||||||||||||||||||||||||||||||||||||
800 | |||||||||||||||||||||||||||||||||||||||||||
600 | |||||||||||||||||||||||||||||||||||||||||||
400 | |||||||||||||||||||||||||||||||||||||||||||
200 | |||||||||||||||||||||||||||||||||||||||||||
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 |