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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Calculated > Vibrations > Scale Factors > Scale factor uncertainty |
Scale factor | How many | Source | |
---|---|---|---|
Molecules | Vibrations | ||
0.990 ± 0.026 | 173 | 2350 | cccbdb |
Formula | Name | Mode | Symmetry | Frequency | Count | |||
---|---|---|---|---|---|---|---|---|
Theory | Experiment | ratio | molecules | vibrations | ||||
H2 | Hydrogen diatomic | 1 | Σg | 4205 | 4161 | 0.990 | 1 | 1 |
LiH | Lithium Hydride | 1 | Σ | 1385 | 1360 | 0.981 | 2 | 2 |
Li2 | Lithium diatomic | 1 | Σg | 341 | 346 | 1.015 | 3 | 3 |
NaH | sodium hydride | 1 | Σ | 1157 | 1133 | 0.979 | 4 | 4 |
Na2 | Sodium diatomic | 1 | Σg | 165 | 158 | 0.957 | 5 | 5 |
BeH | beryllium monohydride | 1 | Σ | 1994 | 1987 | 0.997 | 6 | 6 |
MgH | magnesium monohydride | 1 | Σ | 1432 | 1432 | 1.000 | 7 | 7 |
BH | Boron monohydride | 1 | Σ | 2239 | 2269 | 1.014 | 8 | 8 |
CH | Methylidyne | 1 | Σ | 2723 | 2733 | 1.004 | 9 | 9 |
C2 | Carbon diatomic | 1 | Σg | 1905 | 1827 | 0.959 | 10 | 10 |
NH | Imidogen | 1 | Σ | 3158 | 3126 | 0.990 | 11 | 11 |
CN | Cyano radical | 1 | Σ | 2146 | 2042 | 0.952 | 12 | 12 |
N2 | Nitrogen diatomic | 1 | Σg | 2406 | 2330 | 0.968 | 13 | 13 |
OH | Hydroxyl radical | 1 | Σ | 3618 | 3570 | 0.987 | 14 | 14 |
LiO | lithium oxide | 1 | Σ | 831 | 799 | 0.961 | 15 | 15 |
BeO | beryllium oxide | 1 | Σ | 1527 | 1435 | 0.940 | 16 | 16 |
BO | boron monoxide | 1 | Σ | 1898 | 1862 | 0.981 | 17 | 17 |
CO | Carbon monoxide | 1 | Σ | 2185 | 2143 | 0.981 | 18 | 18 |
NaO | sodium monoxide | 1 | Σ | 495 | 19 | 19 | ||
MgO | magnesium oxide | 1 | Σ | 852 | 775 | 0.909 | 20 | 20 |
HF | Hydrogen fluoride | 1 | Σ | 4009 | 3961 | 0.988 | 21 | 21 |
LiF | lithium fluoride | 1 | Σ | 925 | 896 | 0.968 | 22 | 22 |
BeF | Beryllium monofluoride | 1 | Σ | 1269 | 23 | 23 | ||
CF | Fluoromethylidyne | 1 | Σ | 1339 | 1286 | 0.960 | 24 | 24 |
NF | nitrogen fluoride | 1 | Σ | 1204 | 1123 | 0.933 | 25 | 25 |
F2 | Fluorine diatomic | 1 | Σg | 1071 | 894 | 0.835 | 26 | 26 |
NaF | sodium fluoride | 1 | Σ | 551 | 529 | 0.959 | 27 | 27 |
MgF | Magnesium monofluoride | 1 | Σ | 718 | 28 | 28 | ||
BeH2 | beryllium dihydride | 2 | Σu | 2211 | 2159 | 0.976 | 29 | 29 |
3 | Πu | 691 | 698 | 1.010 | 29 | 30 | ||
MgH2 | magnesium dihydride | 2 | Σu | 1609 | 1572 | 0.977 | 30 | 31 |
3 | Πu | 427 | 440 | 1.030 | 30 | 32 | ||
BH2 | boron dihydride | 2 | A1 | 915 | 954 | 1.042 | 31 | 33 |
NH2 | Amino radical | 1 | A1 | 3268 | 3219 | 0.985 | 32 | 34 |
2 | A1 | 1465 | 1497 | 1.022 | 32 | 35 | ||
3 | B2 | 3370 | 3301 | 0.980 | 32 | 36 | ||
HNC | hydrogen isocyanide | 1 | Σ | 3705 | 3653 | 0.986 | 33 | 37 |
2 | Σ | 2078 | 2029 | 0.977 | 33 | 38 | ||
3 | Π | 486 | 477 | 0.981 | 33 | 39 | ||
H2O | Water | 1 | A1 | 3734 | 3657 | 0.979 | 34 | 40 |
2 | A1 | 1562 | 1595 | 1.021 | 34 | 41 | ||
3 | B2 | 3843 | 3756 | 0.977 | 34 | 42 | ||
LiOH | lithium hydroxide | 1 | Σ | 3924 | 3688 | 0.940 | 35 | 43 |
2 | Σ | 980 | 871 | 0.888 | 35 | 44 | ||
3 | Π | 327 | 257 | 0.783 | 35 | 45 | ||
BeOH | beryllium monohydroxide | 2 | A' | 1311 | 1246 | 0.950 | 36 | 46 |
HBO | Boron hydride oxide | 1 | Σ | 2821 | 2850 | 1.010 | 37 | 47 |
2 | Σ | 1845 | 1826 | 0.990 | 37 | 48 | ||
3 | Π | 737 | 756 | 1.026 | 37 | 49 | ||
HCO | Formyl radical | 1 | A' | 2566 | 2434 | 0.949 | 38 | 50 |
2 | A' | 1928 | 1868 | 0.969 | 38 | 51 | ||
3 | A' | 1060 | 1081 | 1.019 | 38 | 52 | ||
HNO | Nitrosyl hydride | 1 | A' | 2665 | 2684 | 1.007 | 39 | 53 |
2 | A' | 1661 | 1565 | 0.942 | 39 | 54 | ||
3 | A' | 1506 | 1501 | 0.997 | 39 | 55 | ||
HO2 | Hydroperoxy radical | 1 | A' | 3421 | 3436 | 1.004 | 40 | 56 |
2 | A' | 1391 | 1392 | 1.001 | 40 | 57 | ||
3 | A' | 1181 | 1098 | 0.930 | 40 | 58 | ||
N2O | Nitrous oxide | 1 | Σ | 2369 | 2224 | 0.939 | 41 | 59 |
2 | Σ | 1357 | 1285 | 0.947 | 41 | 60 | ||
3 | Π | 621 | 589 | 0.948 | 41 | 61 | ||
HOF | Hypofluorous acid | 1 | A' | 3631 | 3578 | 0.985 | 42 | 62 |
2 | A' | 1365 | 1362 | 0.998 | 42 | 63 | ||
3 | A' | 1010 | 893 | 0.884 | 42 | 64 | ||
CF2 | Difluoromethylene | 1 | A1 | 1239 | 1225 | 0.988 | 43 | 65 |
2 | A1 | 669 | 667 | 0.997 | 43 | 66 | ||
3 | B2 | 1145 | 1114 | 0.973 | 43 | 67 | ||
FNO | Nitrosyl fluoride | 1 | A' | 1916 | 1844 | 0.963 | 44 | 68 |
2 | A' | 820 | 766 | 0.934 | 44 | 69 | ||
3 | A' | 551 | 520 | 0.943 | 44 | 70 | ||
NF2 | Difluoroamino radical | 1 | A1 | 1116 | 1075 | 0.963 | 45 | 71 |
2 | A1 | 579 | 573 | 0.990 | 45 | 72 | ||
3 | B2 | 960 | 942 | 0.981 | 45 | 73 | ||
F2O | Difluorine monoxide | 1 | A1 | 1035 | 928 | 0.897 | 46 | 74 |
2 | A1 | 478 | 461 | 0.964 | 46 | 75 | ||
3 | B2 | 868 | 831 | 0.958 | 46 | 76 | ||
BH3 | boron trihydride | 2 | A2" | 1098 | 1148 | 1.045 | 47 | 77 |
3 | E' | 2648 | 2602 | 0.983 | 47 | 78 | ||
4 | E' | 1129 | 1197 | 1.060 | 47 | 79 | ||
NH3 | Ammonia | 1 | A1 | 3404 | 3337 | 0.980 | 48 | 80 |
2 | A1 | 986 | 950 | 0.963 | 48 | 81 | ||
3 | E | 3536 | 3444 | 0.974 | 48 | 82 | ||
4 | E | 1595 | 1627 | 1.020 | 48 | 83 | ||
C2N2 | Cyanogen | 1 | Σg | 2386 | 2330 | 0.976 | 49 | 84 |
2 | Σg | 894 | 846 | 0.946 | 49 | 85 | ||
3 | Σu | 2216 | 2158 | 0.974 | 49 | 86 | ||
4 | Πg | 544 | 503 | 0.924 | 49 | 87 | ||
5 | Πu | 245 | 234 | 0.955 | 49 | 88 | ||
H2O2 | Hydrogen peroxide | 1 | A | 3668 | 3599 | 0.981 | 50 | 89 |
2 | A | 1395 | 1402 | 1.005 | 50 | 90 | ||
3 | A | 972 | 877 | 0.902 | 50 | 91 | ||
4 | A | 393 | 371 | 0.943 | 50 | 92 | ||
5 | B | 3667 | 3608 | 0.984 | 50 | 93 | ||
6 | B | 1286 | 1266 | 0.984 | 50 | 94 | ||
HNO2 | Nitrous acid | 1 | A' | 3658 | 3591 | 0.982 | 51 | 95 |
2 | A' | 1774 | 1700 | 0.958 | 51 | 96 | ||
3 | A' | 1245 | 1263 | 1.015 | 51 | 97 | ||
4 | A' | 838 | 790 | 0.943 | 51 | 98 | ||
5 | A' | 612 | 596 | 0.973 | 51 | 99 | ||
6 | A" | 618 | 543 | 0.878 | 51 | 100 | ||
B2O2 | Diboron dioxide | 1 | Σg | 2099 | 2060 | 0.982 | 52 | 101 |
2 | Σg | 614 | 585 | 0.953 | 52 | 102 | ||
3 | Σu | 1937 | 1898 | 0.980 | 52 | 103 | ||
4 | Πg | 477 | 410 | 0.860 | 52 | 104 | ||
5 | Πu | 202 | 213 | 1.056 | 52 | 105 | ||
BHF2 | Difluoroborane | 1 | A1 | 2629 | 2621 | 0.997 | 53 | 106 |
2 | A1 | 1182 | 1164 | 0.985 | 53 | 107 | ||
3 | A1 | 530 | 542 | 1.023 | 53 | 108 | ||
4 | B1 | 883 | 924 | 1.046 | 53 | 109 | ||
5 | B2 | 1441 | 1402 | 0.973 | 53 | 110 | ||
BF3 | Borane, trifluoro- | 1 | A1' | 893 | 888 | 0.995 | 54 | 111 |
2 | A2" | 663 | 691 | 1.042 | 54 | 112 | ||
3 | E' | 1478 | 1449 | 0.980 | 54 | 113 | ||
4 | E' | 464 | 480 | 1.035 | 54 | 114 | ||
N2F2 | Dinitrogen difluoride, (E)- | 1 | Ag | 1565 | 1523 | 0.973 | 55 | 115 |
2 | Ag | 1068 | 1018 | 0.953 | 55 | 116 | ||
3 | Ag | 627 | 603 | 0.962 | 55 | 117 | ||
4 | Au | 369 | 364 | 0.986 | 55 | 118 | ||
5 | Bu | 1051 | 991 | 0.943 | 55 | 119 | ||
6 | Bu | 421 | 423 | 1.004 | 55 | 120 | ||
CF3 | Trifluoromethyl radical | 1 | A1 | 1087 | 1089 | 1.002 | 56 | 121 |
2 | A1 | 695 | 701 | 1.008 | 56 | 122 | ||
3 | E | 1265 | 1260 | 0.996 | 56 | 123 | ||
4 | E | 502 | 509 | 1.014 | 56 | 124 | ||
NF3 | Nitrogen trifluoride | 1 | A1 | 1056 | 1032 | 0.978 | 57 | 125 |
2 | A1 | 653 | 647 | 0.991 | 57 | 126 | ||
3 | E | 880 | 907 | 1.030 | 57 | 127 | ||
4 | E | 487 | 492 | 1.011 | 57 | 128 | ||
CH2NH | Methanimine | 1 | A' | 3355 | 3263 | 0.973 | 58 | 129 |
2 | A' | 3021 | 3024 | 1.001 | 58 | 130 | ||
3 | A' | 2923 | 2914 | 0.997 | 58 | 131 | ||
4 | A' | 1701 | 1638 | 0.963 | 58 | 132 | ||
5 | A' | 1430 | 1452 | 1.016 | 58 | 133 | ||
6 | A' | 1306 | 1344 | 1.029 | 58 | 134 | ||
7 | A' | 1029 | 1058 | 1.028 | 58 | 135 | ||
8 | A" | 1132 | 1127 | 0.996 | 58 | 136 | ||
9 | A" | 1055 | 1061 | 1.006 | 58 | 137 | ||
NH2OH | hydroxylamine | 1 | A' | 3722 | 3650 | 0.981 | 59 | 138 |
2 | A' | 3351 | 3294 | 0.983 | 59 | 139 | ||
3 | A' | 1599 | 1605 | 1.004 | 59 | 140 | ||
4 | A' | 1356 | 1353 | 0.998 | 59 | 141 | ||
5 | A' | 1106 | 1115 | 1.008 | 59 | 142 | ||
6 | A' | 938 | 895 | 0.955 | 59 | 143 | ||
7 | A" | 3434 | 3359 | 0.978 | 59 | 144 | ||
8 | A" | 1289 | 1295 | 1.004 | 59 | 145 | ||
9 | A" | 426 | 386 | 0.906 | 59 | 146 | ||
CH2CO | Ketene | 1 | A1 | 3116 | 3070 | 0.985 | 60 | 147 |
2 | A1 | 2237 | 2152 | 0.962 | 60 | 148 | ||
3 | A1 | 1346 | 1388 | 1.031 | 60 | 149 | ||
4 | A1 | 1148 | 1118 | 0.974 | 60 | 150 | ||
5 | B1 | 563 | 588 | 1.045 | 60 | 151 | ||
6 | B1 | 532 | 528 | 0.992 | 60 | 152 | ||
7 | B2 | 3210 | 3166 | 0.986 | 60 | 153 | ||
8 | B2 | 928 | 977 | 1.052 | 60 | 154 | ||
9 | B2 | 423 | 433 | 1.024 | 60 | 155 | ||
HNO3 | Nitric acid | 1 | A' | 3612 | 3550 | 0.983 | 61 | 156 |
2 | A' | 1796 | 1708 | 0.951 | 61 | 157 | ||
3 | A' | 1359 | 1331 | 0.979 | 61 | 158 | ||
4 | A' | 1266 | 1325 | 1.046 | 61 | 159 | ||
5 | A' | 900 | 879 | 0.976 | 61 | 160 | ||
6 | A' | 653 | 647 | 0.991 | 61 | 161 | ||
7 | A' | 577 | 579 | 1.004 | 61 | 162 | ||
8 | A" | 788 | 762 | 0.967 | 61 | 163 | ||
9 | A" | 519 | 456 | 0.879 | 61 | 164 | ||
C3O2 | Carbon suboxide | 1 | Σg | 2255 | 2196 | 0.974 | 62 | 165 |
2 | Σg | 776 | 786 | 1.013 | 62 | 166 | ||
3 | Σu | 2419 | 2258 | 0.934 | 62 | 167 | ||
4 | Σu | 1632 | 1573 | 0.964 | 62 | 168 | ||
5 | Πg | 566 | 573 | 1.013 | 62 | 169 | ||
6 | Πu | 558 | 550 | 0.986 | 62 | 170 | ||
7 | Πu | 81 | 61 | 0.752 | 62 | 171 | ||
CH3F | Methyl fluoride | 1 | A1 | 2944 | 2930 | 0.995 | 63 | 172 |
2 | A1 | 1418 | 1464 | 1.032 | 63 | 173 | ||
3 | A1 | 1103 | 1049 | 0.951 | 63 | 174 | ||
4 | E | 3029 | 3006 | 0.992 | 63 | 175 | ||
5 | E | 1416 | 1467 | 1.036 | 63 | 176 | ||
6 | E | 1151 | 1182 | 1.027 | 63 | 177 | ||
CH2F2 | Methane, difluoro- | 1 | A1 | 2942 | 2948 | 1.002 | 64 | 178 |
2 | A1 | 1457 | 1508 | 1.035 | 64 | 179 | ||
3 | A1 | 1135 | 1111 | 0.979 | 64 | 180 | ||
4 | A1 | 527 | 529 | 1.003 | 64 | 181 | ||
5 | A2 | 1219 | 1262 | 1.036 | 64 | 182 | ||
6 | B1 | 3008 | 3014 | 1.002 | 64 | 183 | ||
7 | B1 | 1147 | 1178 | 1.027 | 64 | 184 | ||
8 | B2 | 1393 | 1435 | 1.030 | 64 | 185 | ||
9 | B2 | 1114 | 1090 | 0.979 | 64 | 186 | ||
FNO3 | Fluorine nitrate | 1 | A' | 1883 | 1759 | 0.934 | 65 | 187 |
2 | A' | 1367 | 1301 | 0.952 | 65 | 188 | ||
3 | A' | 997 | 928 | 0.930 | 65 | 189 | ||
4 | A' | 804 | 804 | 1.000 | 65 | 190 | ||
5 | A' | 663 | 633 | 0.954 | 65 | 191 | ||
6 | A' | 457 | 455 | 0.996 | 65 | 192 | ||
7 | A' | 292 | 303 | 1.036 | 65 | 193 | ||
8 | A" | 725 | 709 | 0.978 | 65 | 194 | ||
9 | A" | 192 | 152 | 0.791 | 65 | 195 | ||
C3H3 | Propargyl radical | 1 | A1 | 3386 | 3322 | 0.981 | 66 | 196 |
6 | B1 | 688 | 687 | 0.999 | 66 | 197 | ||
7 | B1 | 430 | 490 | 1.139 | 66 | 198 | ||
C4H2 | Diacetylene | 6 | Πg | 617 | 627 | 1.017 | 67 | 199 |
7 | Πg | 526 | 482 | 0.917 | 67 | 200 | ||
8 | Πu | 621 | 630 | 1.015 | 67 | 201 | ||
9 | Πu | 233 | 231 | 0.990 | 67 | 202 | ||
C4N2 | 2-Butynedinitrile | 1 | Σg | 2331 | 2290 | 0.982 | 68 | 203 |
2 | Σg | 2163 | 2119 | 0.980 | 68 | 204 | ||
3 | Σg | 625 | 692 | 1.107 | 68 | 205 | ||
4 | Σu | 2299 | 2241 | 0.975 | 68 | 206 | ||
5 | Σu | 1211 | 1154 | 0.953 | 68 | 207 | ||
6 | Πg | 550 | 504 | 0.916 | 68 | 208 | ||
7 | Πg | 280 | 263 | 0.940 | 68 | 209 | ||
8 | Πu | 502 | 472 | 0.940 | 68 | 210 | ||
9 | Πu | 110 | 107 | 0.973 | 68 | 211 | ||
CH2CCH2 | allene | 1 | A1 | 3064 | 3015 | 0.984 | 69 | 212 |
2 | A1 | 1409 | 1443 | 1.024 | 69 | 213 | ||
3 | A1 | 1095 | 1073 | 0.980 | 69 | 214 | ||
4 | B1 | 857 | 865 | 1.010 | 69 | 215 | ||
5 | B2 | 3060 | 3007 | 0.983 | 69 | 216 | ||
6 | B2 | 2044 | 1957 | 0.957 | 69 | 217 | ||
7 | B2 | 1336 | 1398 | 1.046 | 69 | 218 | ||
8 | E | 3141 | 3086 | 0.983 | 69 | 219 | ||
9 | E | 959 | 999 | 1.042 | 69 | 220 | ||
10 | E | 812 | 841 | 1.035 | 69 | 221 | ||
11 | E | 366 | 355 | 0.969 | 69 | 222 | ||
C3H4 | cyclopropene | 1 | A1 | 3229 | 3158 | 0.978 | 70 | 223 |
2 | A1 | 2976 | 2909 | 0.978 | 70 | 224 | ||
3 | A1 | 1717 | 1653 | 0.963 | 70 | 225 | ||
4 | A1 | 1455 | 1483 | 1.020 | 70 | 226 | ||
5 | A1 | 1162 | 1110 | 0.955 | 70 | 227 | ||
6 | A1 | 884 | 905 | 1.024 | 70 | 228 | ||
7 | A2 | 990 | 996 | 1.006 | 70 | 229 | ||
8 | A2 | 835 | 820 | 0.982 | 70 | 230 | ||
9 | B1 | 3042 | 2995 | 0.984 | 70 | 231 | ||
10 | B1 | 1076 | 1088 | 1.011 | 70 | 232 | ||
11 | B1 | 576 | 569 | 0.988 | 70 | 233 | ||
12 | B2 | 3182 | 3124 | 0.982 | 70 | 234 | ||
13 | B2 | 1036 | 1043 | 1.006 | 70 | 235 | ||
14 | B2 | 994 | 1011 | 1.017 | 70 | 236 | ||
15 | B2 | 789 | 769 | 0.975 | 70 | 237 | ||
CH3ONO | Methyl nitrite | 1 | A' | 3107 | 3037 | 0.977 | 71 | 238 |
2 | A' | 2964 | 2950 | 0.995 | 71 | 239 | ||
3 | A' | 1681 | 1613 | 0.960 | 71 | 240 | ||
4 | A' | 1409 | 1454 | 1.032 | 71 | 241 | ||
5 | A' | 1356 | 1408 | 1.039 | 71 | 242 | ||
6 | A' | 1128 | 1239 | 1.098 | 71 | 243 | ||
7 | A' | 1018 | 991 | 0.973 | 71 | 244 | ||
8 | A' | 870 | 838 | 0.964 | 71 | 245 | ||
9 | A' | 630 | 627 | 0.996 | 71 | 246 | ||
10 | A' | 361 | 346 | 0.959 | 71 | 247 | ||
11 | A" | 3032 | 2991 | 0.986 | 71 | 248 | ||
12 | A" | 1386 | 1438 | 1.038 | 71 | 249 | ||
13 | A" | 1106 | 1143 | 1.033 | 71 | 250 | ||
14 | A" | 405 | 71 | 251 | ||||
15 | A" | 167 | 186 | 1.111 | 71 | 252 | ||
CH3COF | Acetyl fluoride | 1 | A' | 3114 | 3043 | 0.977 | 72 | 253 |
2 | A' | 2991 | 2955 | 0.988 | 72 | 254 | ||
3 | A' | 1905 | 1870 | 0.982 | 72 | 255 | ||
4 | A' | 1386 | 1440 | 1.039 | 72 | 256 | ||
5 | A' | 1327 | 1378 | 1.038 | 72 | 257 | ||
6 | A' | 1189 | 1188 | 0.999 | 72 | 258 | ||
7 | A' | 969 | 1000 | 1.032 | 72 | 259 | ||
8 | A' | 853 | 826 | 0.968 | 72 | 260 | ||
9 | A' | 595 | 598 | 1.006 | 72 | 261 | ||
10 | A' | 405 | 420 | 1.036 | 72 | 262 | ||
11 | A" | 3062 | 3004 | 0.981 | 72 | 263 | ||
12 | A" | 1391 | 1437 | 1.033 | 72 | 264 | ||
13 | A" | 1017 | 1054 | 1.037 | 72 | 265 | ||
14 | A" | 555 | 567 | 1.022 | 72 | 266 | ||
15 | A" | 125 | 123 | 0.982 | 72 | 267 | ||
B2H6 | Diborane | 1 | Ag | 2563 | 2530 | 0.987 | 73 | 268 |
2 | Ag | 2171 | 2088 | 0.962 | 73 | 269 | ||
3 | Ag | 1131 | 1183 | 1.046 | 73 | 270 | ||
4 | Ag | 825 | 790 | 0.958 | 73 | 271 | ||
5 | Au | 833 | 833 | 1.000 | 73 | 272 | ||
6 | B1g | 2643 | 2596 | 0.982 | 73 | 273 | ||
7 | B1g | 898 | 915 | 1.018 | 73 | 274 | ||
8 | B1u | 2047 | 1930 | 0.943 | 73 | 275 | ||
9 | B1u | 931 | 973 | 1.044 | 73 | 276 | ||
10 | B2g | 1894 | 1760 | 0.929 | 73 | 277 | ||
11 | B2g | 881 | 860 | 0.976 | 73 | 278 | ||
12 | B2u | 2656 | 2609 | 0.982 | 73 | 279 | ||
13 | B2u | 819 | 949 | 1.158 | 73 | 280 | ||
14 | B2u | 270 | 369 | 1.365 | 73 | 281 | ||
15 | B3g | 886 | 1020 | 1.151 | 73 | 282 | ||
16 | B3u | 2552 | 2520 | 0.987 | 73 | 283 | ||
17 | B3u | 1696 | 1603 | 0.945 | 73 | 284 | ||
18 | B3u | 1132 | 1172 | 1.036 | 73 | 285 | ||
CH3NO3 | Methyl nitrate | 1 | A' | 3085 | 3008 | 0.975 | 74 | 286 |
2 | A' | 2969 | 2941 | 0.991 | 74 | 287 | ||
3 | A' | 1774 | 1678 | 0.946 | 74 | 288 | ||
4 | A' | 1426 | 1468 | 1.030 | 74 | 289 | ||
5 | A' | 1394 | 1430 | 1.026 | 74 | 290 | ||
6 | A' | 1325 | 1287 | 0.971 | 74 | 291 | ||
7 | A' | 1143 | 1176 | 1.029 | 74 | 292 | ||
8 | A' | 1051 | 1017 | 0.968 | 74 | 293 | ||
9 | A' | 848 | 854 | 1.008 | 74 | 294 | ||
10 | A' | 666 | 657 | 0.986 | 74 | 295 | ||
11 | A' | 572 | 578 | 1.010 | 74 | 296 | ||
12 | A' | 347 | 340 | 0.981 | 74 | 297 | ||
13 | A" | 3049 | 3008 | 0.987 | 74 | 298 | ||
14 | A" | 1389 | 1455 | 1.048 | 74 | 299 | ||
15 | A" | 1124 | 1136 | 1.010 | 74 | 300 | ||
16 | A" | 776 | 758 | 0.977 | 74 | 301 | ||
17 | A" | 193 | 74 | 302 | ||||
18 | A" | 158 | 74 | 303 | ||||
CH3CF3 | Ethane, 1,1,1-trifluoro- | 1 | A1 | 3003 | 2974 | 0.990 | 75 | 304 |
2 | A1 | 1374 | 1412 | 1.028 | 75 | 305 | ||
3 | A1 | 1260 | 1278 | 1.014 | 75 | 306 | ||
4 | A1 | 845 | 828 | 0.979 | 75 | 307 | ||
5 | A1 | 596 | 606 | 1.017 | 75 | 308 | ||
6 | A2 | 224 | 225 | 1.006 | 75 | 309 | ||
7 | E | 3100 | 3042 | 0.981 | 75 | 310 | ||
8 | E | 1403 | 1450 | 1.033 | 75 | 311 | ||
9 | E | 1207 | 1230 | 1.019 | 75 | 312 | ||
10 | E | 937 | 964 | 1.029 | 75 | 313 | ||
11 | E | 529 | 540 | 1.020 | 75 | 314 | ||
12 | E | 354 | 365 | 1.032 | 75 | 315 | ||
CH3CCCH3 | 2-Butyne | 1 | A1' | 2955 | 2916 | 0.987 | 76 | 316 |
2 | A1' | 2334 | 2240 | 0.960 | 76 | 317 | ||
3 | A1' | 1338 | 1380 | 1.031 | 76 | 318 | ||
4 | A1' | 745 | 725 | 0.974 | 76 | 319 | ||
6 | A2" | 2956 | 2938 | 0.994 | 76 | 320 | ||
7 | A2" | 1350 | 1382 | 1.024 | 76 | 321 | ||
8 | A2" | 1195 | 1152 | 0.964 | 76 | 322 | ||
9 | E' | 3022 | 2973 | 0.984 | 76 | 323 | ||
10 | E' | 1397 | 1456 | 1.042 | 76 | 324 | ||
11 | E' | 1004 | 1054 | 1.050 | 76 | 325 | ||
12 | E' | 199 | 213 | 1.072 | 76 | 326 | ||
13 | E" | 3024 | 2966 | 0.981 | 76 | 327 | ||
14 | E" | 1397 | 1448 | 1.036 | 76 | 328 | ||
15 | E" | 985 | 1029 | 1.045 | 76 | 329 | ||
16 | E" | 385 | 371 | 0.964 | 76 | 330 | ||
CH2CCHCH3 | 1,2-Butadiene | 1 | A' | 3069 | 3061 | 0.997 | 77 | 331 |
2 | A' | 3048 | 3010 | 0.987 | 77 | 332 | ||
3 | A' | 3044 | 2965 | 0.974 | 77 | 333 | ||
4 | A' | 2961 | 2905 | 0.981 | 77 | 334 | ||
5 | A' | 2050 | 1970 | 0.961 | 77 | 335 | ||
6 | A' | 1443 | 1453 | 1.007 | 77 | 336 | ||
7 | A' | 1398 | 1437 | 1.028 | 77 | 337 | ||
8 | A' | 1332 | 1389 | 1.043 | 77 | 338 | ||
9 | A' | 1299 | 1330 | 1.024 | 77 | 339 | ||
10 | A' | 1130 | 1132 | 1.002 | 77 | 340 | ||
11 | A' | 1053 | 1074 | 1.020 | 77 | 341 | ||
12 | A' | 874 | 876 | 1.002 | 77 | 342 | ||
13 | A' | 827 | 859 | 1.039 | 77 | 343 | ||
14 | A' | 562 | 555 | 0.988 | 77 | 344 | ||
15 | A' | 201 | 210 | 1.044 | 77 | 345 | ||
16 | A" | 3122 | 3061 | 0.980 | 77 | 346 | ||
17 | A" | 3020 | 2965 | 0.982 | 77 | 347 | ||
18 | A" | 1402 | 1453 | 1.036 | 77 | 348 | ||
19 | A" | 1006 | 1110 | 1.103 | 77 | 349 | ||
20 | A" | 965 | 1011 | 1.048 | 77 | 350 | ||
21 | A" | 861 | 842 | 0.978 | 77 | 351 | ||
22 | A" | 527 | 523 | 0.993 | 77 | 352 | ||
23 | A" | 334 | 322 | 0.965 | 77 | 353 | ||
C4H6 | Cyclobutene | 1 | A1 | 3130 | 3060 | 0.978 | 78 | 354 |
2 | A1 | 2977 | 2935 | 0.986 | 78 | 355 | ||
3 | A1 | 1611 | 1570 | 0.974 | 78 | 356 | ||
4 | A1 | 1402 | 1450 | 1.034 | 78 | 357 | ||
5 | A1 | 1161 | 1276 | 1.099 | 78 | 358 | ||
6 | A1 | 1128 | 1186 | 1.052 | 78 | 359 | ||
7 | A1 | 983 | 1113 | 1.132 | 78 | 360 | ||
8 | A1 | 905 | 886 | 0.979 | 78 | 361 | ||
9 | A2 | 3018 | 2955 | 0.979 | 78 | 362 | ||
10 | A2 | 1118 | 1276 | 1.141 | 78 | 363 | ||
11 | A2 | 994 | 1081 | 1.088 | 78 | 364 | ||
12 | A2 | 904 | 850 | 0.940 | 78 | 365 | ||
13 | A2 | 313 | 325 | 1.040 | 78 | 366 | ||
14 | B1 | 3029 | 2955 | 0.975 | 78 | 367 | ||
15 | B1 | 1052 | 1074 | 1.021 | 78 | 368 | ||
16 | B1 | 833 | 846 | 1.015 | 78 | 369 | ||
17 | B1 | 616 | 635 | 1.031 | 78 | 370 | ||
18 | B2 | 3099 | 3047 | 0.983 | 78 | 371 | ||
19 | B2 | 2974 | 2916 | 0.981 | 78 | 372 | ||
20 | B2 | 1378 | 1427 | 1.036 | 78 | 373 | ||
21 | B2 | 1283 | 1294 | 1.008 | 78 | 374 | ||
22 | B2 | 1181 | 1214 | 1.028 | 78 | 375 | ||
23 | B2 | 899 | 888 | 0.988 | 78 | 376 | ||
24 | B2 | 843 | 740 | 0.878 | 78 | 377 | ||
C4H6 | Methylenecyclopropane | 1 | A1 | 3058 | 3010 | 0.984 | 79 | 378 |
2 | A1 | 3043 | 3002 | 0.986 | 79 | 379 | ||
3 | A1 | 1835 | 1743 | 0.950 | 79 | 380 | ||
4 | A1 | 1410 | 1437 | 1.019 | 79 | 381 | ||
5 | A1 | 1367 | 1410 | 1.032 | 79 | 382 | ||
6 | A1 | 1079 | 1036 | 0.960 | 79 | 383 | ||
7 | A1 | 981 | 1002 | 1.022 | 79 | 384 | ||
8 | A1 | 760 | 723 | 0.952 | 79 | 385 | ||
9 | A2 | 3118 | 3051 | 0.979 | 79 | 386 | ||
10 | A2 | 1121 | 1144 | 1.020 | 79 | 387 | ||
11 | A2 | 918 | 937 | 1.021 | 79 | 388 | ||
12 | A2 | 592 | 616 | 1.041 | 79 | 389 | ||
13 | B1 | 3130 | 3071 | 0.981 | 79 | 390 | ||
14 | B1 | 1049 | 1072 | 1.022 | 79 | 391 | ||
15 | B1 | 876 | 889 | 1.015 | 79 | 392 | ||
16 | B1 | 725 | 748 | 1.032 | 79 | 393 | ||
17 | B1 | 286 | 360 | 1.258 | 79 | 394 | ||
18 | B2 | 3144 | 3086 | 0.981 | 79 | 395 | ||
19 | B2 | 3043 | 2999 | 0.985 | 79 | 396 | ||
20 | B2 | 1368 | 1353 | 0.989 | 79 | 397 | ||
21 | B2 | 1113 | 1174 | 1.055 | 79 | 398 | ||
22 | B2 | 1025 | 1125 | 1.098 | 79 | 399 | ||
23 | B2 | 891 | 792 | 0.889 | 79 | 400 | ||
24 | B2 | 348 | 290 | 0.833 | 79 | 401 | ||
C4H5N | Cyclopropanecarbonitrile | 1 | A' | 3180 | 3120 | 0.981 | 80 | 402 |
2 | A' | 3098 | 3052 | 0.985 | 80 | 403 | ||
3 | A' | 3083 | 3044 | 0.987 | 80 | 404 | ||
4 | A' | 2311 | 2264 | 0.980 | 80 | 405 | ||
5 | A' | 1441 | 1468 | 1.018 | 80 | 406 | ||
6 | A' | 1345 | 1344 | 1.000 | 80 | 407 | ||
7 | A' | 1203 | 1195 | 0.993 | 80 | 408 | ||
8 | A' | 1102 | 1125 | 1.021 | 80 | 409 | ||
9 | A' | 1017 | 1049 | 1.032 | 80 | 410 | ||
10 | A' | 976 | 941 | 0.964 | 80 | 411 | ||
11 | A' | 802 | 808 | 1.007 | 80 | 412 | ||
12 | A' | 748 | 736 | 0.984 | 80 | 413 | ||
13 | A' | 527 | 527 | 1.000 | 80 | 414 | ||
14 | A' | 204 | 222 | 1.087 | 80 | 415 | ||
15 | A" | 3167 | 3094 | 0.977 | 80 | 416 | ||
16 | A" | 3080 | 3040 | 0.987 | 80 | 417 | ||
17 | A" | 1393 | 1442 | 1.035 | 80 | 418 | ||
18 | A" | 1152 | 1180 | 1.024 | 80 | 419 | ||
19 | A" | 1062 | 1070 | 1.008 | 80 | 420 | ||
20 | A" | 1037 | 1088 | 1.049 | 80 | 421 | ||
21 | A" | 904 | 880 | 0.974 | 80 | 422 | ||
22 | A" | 807 | 821 | 1.017 | 80 | 423 | ||
23 | A" | 546 | 543 | 0.994 | 80 | 424 | ||
24 | A" | 208 | 222 | 1.066 | 80 | 425 | ||
C5H6 | 1,3-Cyclopentadiene | 1 | A1 | 3163 | 3091 | 0.977 | 81 | 426 |
2 | A1 | 3138 | 3075 | 0.980 | 81 | 427 | ||
3 | A1 | 2952 | 2886 | 0.978 | 81 | 428 | ||
4 | A1 | 1527 | 1500 | 0.982 | 81 | 429 | ||
5 | A1 | 1372 | 1378 | 1.004 | 81 | 430 | ||
6 | A1 | 1308 | 1365 | 1.043 | 81 | 431 | ||
7 | A1 | 1097 | 1106 | 1.008 | 81 | 432 | ||
8 | A1 | 1023 | 994 | 0.972 | 81 | 433 | ||
9 | A1 | 934 | 915 | 0.979 | 81 | 434 | ||
10 | A1 | 805 | 802 | 0.997 | 81 | 435 | ||
11 | A2 | 1058 | 1100 | 1.039 | 81 | 436 | ||
12 | A2 | 926 | 941 | 1.016 | 81 | 437 | ||
13 | A2 | 687 | 700 | 1.020 | 81 | 438 | ||
14 | A2 | 520 | 516 | 0.992 | 81 | 439 | ||
15 | B1 | 2980 | 2900 | 0.973 | 81 | 440 | ||
16 | B1 | 918 | 925 | 1.008 | 81 | 441 | ||
17 | B1 | 860 | 891 | 1.037 | 81 | 442 | ||
18 | B1 | 656 | 664 | 1.012 | 81 | 443 | ||
19 | B1 | 329 | 350 | 1.063 | 81 | 444 | ||
20 | B2 | 3157 | 3105 | 0.984 | 81 | 445 | ||
21 | B2 | 3128 | 3043 | 0.973 | 81 | 446 | ||
22 | B2 | 1608 | 1580 | 0.983 | 81 | 447 | ||
23 | B2 | 1283 | 1292 | 1.007 | 81 | 448 | ||
24 | B2 | 1216 | 1239 | 1.019 | 81 | 449 | ||
25 | B2 | 1063 | 1090 | 1.025 | 81 | 450 | ||
26 | B2 | 958 | 959 | 1.001 | 81 | 451 | ||
27 | B2 | 803 | 805 | 1.003 | 81 | 452 | ||
CHOCHCHCH3 | 2-Butenal | 1 | A' | 3087 | 3058 | 0.991 | 82 | 453 |
2 | A' | 3065 | 2995 | 0.977 | 82 | 454 | ||
3 | A' | 3030 | 2963 | 0.978 | 82 | 455 | ||
4 | A' | 2957 | 2938 | 0.994 | 82 | 456 | ||
5 | A' | 2744 | 2805 | 1.022 | 82 | 457 | ||
6 | A' | 1766 | 1720 | 0.974 | 82 | 458 | ||
7 | A' | 1686 | 1649 | 0.978 | 82 | 459 | ||
8 | A' | 1403 | 1455 | 1.037 | 82 | 460 | ||
9 | A' | 1349 | 1391 | 1.031 | 82 | 461 | ||
10 | A' | 1334 | 1375 | 1.030 | 82 | 462 | ||
11 | A' | 1271 | 1304 | 1.026 | 82 | 463 | ||
12 | A' | 1218 | 1253 | 1.028 | 82 | 464 | ||
13 | A' | 1138 | 1147 | 1.008 | 82 | 465 | ||
14 | A' | 1112 | 1074 | 0.966 | 82 | 466 | ||
15 | A' | 911 | 973 | 1.068 | 82 | 467 | ||
16 | A' | 535 | 539 | 1.008 | 82 | 468 | ||
17 | A' | 455 | 464 | 1.020 | 82 | 469 | ||
18 | A' | 202 | 230 | 1.136 | 82 | 470 | ||
19 | A" | 3012 | 2980 | 0.989 | 82 | 471 | ||
20 | A" | 1392 | 1455 | 1.046 | 82 | 472 | ||
21 | A" | 1019 | 1042 | 1.023 | 82 | 473 | ||
22 | A" | 991 | 973 | 0.982 | 82 | 474 | ||
23 | A" | 965 | 928 | 0.962 | 82 | 475 | ||
24 | A" | 774 | 780 | 1.008 | 82 | 476 | ||
25 | A" | 306 | 295 | 0.963 | 82 | 477 | ||
26 | A" | 202 | 173 | 0.857 | 82 | 478 | ||
27 | A" | 126 | 122 | 0.967 | 82 | 479 | ||
C6H6 | Fulvene | 1 | A1 | 3166 | 3088 | 0.975 | 83 | 480 |
2 | A1 | 3144 | 3051 | 0.971 | 83 | 481 | ||
3 | A1 | 3067 | 3008 | 0.981 | 83 | 482 | ||
4 | A1 | 1687 | 1632 | 0.968 | 83 | 483 | ||
5 | A1 | 1517 | 1486 | 0.979 | 83 | 484 | ||
6 | A1 | 1390 | 1449 | 1.043 | 83 | 485 | ||
7 | A1 | 1326 | 1342 | 1.012 | 83 | 486 | ||
8 | A1 | 1052 | 1082 | 1.029 | 83 | 487 | ||
9 | A1 | 1014 | 986 | 0.972 | 83 | 488 | ||
10 | A1 | 906 | 894 | 0.986 | 83 | 489 | ||
11 | A1 | 670 | 641 | 0.956 | 83 | 490 | ||
12 | A2 | 913 | 83 | 491 | ||||
13 | A2 | 754 | 83 | 492 | ||||
14 | A2 | 670 | 666 | 0.994 | 83 | 493 | ||
15 | A2 | 476 | 494 | 1.038 | 83 | 494 | ||
16 | B1 | 929 | 926 | 0.997 | 83 | 495 | ||
17 | B1 | 895 | 907 | 1.013 | 83 | 496 | ||
18 | B1 | 768 | 769 | 1.001 | 83 | 497 | ||
19 | B1 | 627 | 613 | 0.978 | 83 | 498 | ||
20 | B1 | 199 | 83 | 499 | ||||
21 | B2 | 3161 | 83 | 500 | ||||
22 | B2 | 3160 | 3104 | 0.982 | 83 | 501 | ||
23 | B2 | 3134 | 3075 | 0.981 | 83 | 502 | ||
24 | B2 | 1590 | 1550 | 0.975 | 83 | 503 | ||
25 | B2 | 1315 | 1314 | 0.999 | 83 | 504 | ||
26 | B2 | 1212 | 1232 | 1.016 | 83 | 505 | ||
27 | B2 | 1056 | 1077 | 1.020 | 83 | 506 | ||
28 | B2 | 933 | 952 | 1.020 | 83 | 507 | ||
29 | B2 | 794 | 795 | 1.001 | 83 | 508 | ||
30 | B2 | 325 | 350 | 1.077 | 83 | 509 | ||
C5H8 | 1,2-Butadiene, 3-methyl- | 1 | A1 | 3071 | 2987 | 0.973 | 84 | 510 |
2 | A1 | 3038 | 2941 | 0.968 | 84 | 511 | ||
3 | A1 | 2949 | 2916 | 0.989 | 84 | 512 | ||
4 | A1 | 2050 | 1996 | 0.974 | 84 | 513 | ||
5 | A1 | 1459 | 1470 | 1.008 | 84 | 514 | ||
6 | A1 | 1394 | 1438 | 1.032 | 84 | 515 | ||
7 | A1 | 1336 | 1369 | 1.025 | 84 | 516 | ||
8 | A1 | 1275 | 1286 | 1.009 | 84 | 517 | ||
9 | A1 | 988 | 973 | 0.984 | 84 | 518 | ||
10 | A1 | 752 | 726 | 0.966 | 84 | 519 | ||
11 | A1 | 327 | 349 | 1.069 | 84 | 520 | ||
12 | A2 | 3006 | 2941 | 0.978 | 84 | 521 | ||
13 | A2 | 1389 | 1470 | 1.058 | 84 | 522 | ||
14 | A2 | 954 | 985 | 1.033 | 84 | 523 | ||
15 | A2 | 597 | 617 | 1.034 | 84 | 524 | ||
17 | B1 | 3110 | 3051 | 0.981 | 84 | 525 | ||
18 | B1 | 3004 | 2941 | 0.979 | 84 | 526 | ||
19 | B1 | 1407 | 1470 | 1.045 | 84 | 527 | ||
20 | B1 | 1044 | 1068 | 1.023 | 84 | 528 | ||
21 | B1 | 969 | 1004 | 1.036 | 84 | 529 | ||
22 | B1 | 450 | 443 | 0.985 | 84 | 530 | ||
23 | B1 | 252 | 187 | 0.742 | 84 | 531 | ||
25 | B2 | 3071 | 2941 | 0.958 | 84 | 532 | ||
26 | B2 | 2947 | 2916 | 0.989 | 84 | 533 | ||
27 | B2 | 1398 | 1470 | 1.051 | 84 | 534 | ||
28 | B2 | 1323 | 1369 | 1.035 | 84 | 535 | ||
29 | B2 | 1219 | 1191 | 0.977 | 84 | 536 | ||
30 | B2 | 928 | 968 | 1.043 | 84 | 537 | ||
31 | B2 | 833 | 848 | 1.018 | 84 | 538 | ||
32 | B2 | 590 | 554 | 0.938 | 84 | 539 | ||
33 | B2 | 175 | 187 | 1.069 | 84 | 540 | ||
C6H8 | (E)-hexa-1,3,5-triene | 1 | Ag | 3165 | 3085 | 0.975 | 85 | 541 |
2 | Ag | 3067 | 3054 | 0.996 | 85 | 542 | ||
3 | Ag | 3057 | 3054 | 0.999 | 85 | 543 | ||
4 | Ag | 3041 | 2989 | 0.983 | 85 | 544 | ||
5 | Ag | 1668 | 1627 | 0.975 | 85 | 545 | ||
6 | Ag | 1610 | 1579 | 0.981 | 85 | 546 | ||
7 | Ag | 1370 | 1400 | 1.022 | 85 | 547 | ||
8 | Ag | 1270 | 1288 | 1.014 | 85 | 548 | ||
9 | Ag | 1259 | 1220 | 0.969 | 85 | 549 | ||
10 | Ag | 1189 | 1192 | 1.002 | 85 | 550 | ||
11 | Ag | 914 | 934 | 1.022 | 85 | 551 | ||
12 | Ag | 442 | 444 | 1.004 | 85 | 552 | ||
13 | Ag | 337 | 355 | 1.054 | 85 | 553 | ||
14 | Au | 1014 | 1013 | 0.999 | 85 | 554 | ||
15 | Au | 924 | 941 | 1.019 | 85 | 555 | ||
16 | Au | 882 | 901 | 1.021 | 85 | 556 | ||
17 | Au | 691 | 683 | 0.988 | 85 | 557 | ||
18 | Au | 257 | 85 | 558 | ||||
19 | Au | 99 | 90 | 0.907 | 85 | 559 | ||
20 | Bg | 982 | 988 | 1.006 | 85 | 560 | ||
21 | Bg | 899 | 928 | 1.032 | 85 | 561 | ||
22 | Bg | 872 | 872 | 0.999 | 85 | 562 | ||
23 | Bg | 601 | 85 | 563 | ||||
24 | Bg | 232 | 217 | 0.934 | 85 | 564 | ||
25 | Bu | 3165 | 3099 | 0.979 | 85 | 565 | ||
26 | Bu | 3068 | 3045 | 0.993 | 85 | 566 | ||
27 | Bu | 3058 | 3019 | 0.987 | 85 | 567 | ||
28 | Bu | 3046 | 2953 | 0.970 | 85 | 568 | ||
29 | Bu | 1664 | 1629 | 0.979 | 85 | 569 | ||
30 | Bu | 1400 | 1432 | 1.023 | 85 | 570 | ||
31 | Bu | 1267 | 1295 | 1.022 | 85 | 571 | ||
32 | Bu | 1217 | 1255 | 1.031 | 85 | 572 | ||
33 | Bu | 1154 | 1186 | 1.028 | 85 | 573 | ||
34 | Bu | 952 | 963 | 1.012 | 85 | 574 | ||
35 | Bu | 524 | 590 | 1.125 | 85 | 575 | ||
36 | Bu | 139 | 170 | 1.221 | 85 | 576 | ||
C4H9N | Cyclobutylamine | 1 | A' | 3415 | 3345 | 0.980 | 86 | 577 |
2 | A' | 3071 | 2975 | 0.969 | 86 | 578 | ||
3 | A' | 3040 | 2950 | 0.971 | 86 | 579 | ||
4 | A' | 3009 | 2918 | 0.970 | 86 | 580 | ||
5 | A' | 2987 | 2905 | 0.972 | 86 | 581 | ||
6 | A' | 2887 | 2887 | 1.000 | 86 | 582 | ||
7 | A' | 1570 | 1614 | 1.028 | 86 | 583 | ||
8 | A' | 1420 | 1467 | 1.033 | 86 | 584 | ||
9 | A' | 1392 | 1443 | 1.037 | 86 | 585 | ||
10 | A' | 1329 | 1390 | 1.046 | 86 | 586 | ||
11 | A' | 1234 | 1291 | 1.046 | 86 | 587 | ||
12 | A' | 1199 | 1237 | 1.032 | 86 | 588 | ||
13 | A' | 1138 | 1137 | 0.999 | 86 | 589 | ||
14 | A' | 1071 | 1120 | 1.046 | 86 | 590 | ||
15 | A' | 961 | 1050 | 1.092 | 86 | 591 | ||
16 | A' | 884 | 965 | 1.092 | 86 | 592 | ||
17 | A' | 846 | 788 | 0.931 | 86 | 593 | ||
18 | A' | 770 | 752 | 0.977 | 86 | 594 | ||
19 | A' | 634 | 606 | 0.956 | 86 | 595 | ||
20 | A' | 391 | 448 | 1.145 | 86 | 596 | ||
21 | A' | 178 | 174 | 0.978 | 86 | 597 | ||
22 | A" | 3502 | 3411 | 0.974 | 86 | 598 | ||
23 | A" | 3044 | 2970 | 0.976 | 86 | 599 | ||
24 | A" | 2983 | 2957 | 0.991 | 86 | 600 | ||
25 | A" | 1382 | 1452 | 1.051 | 86 | 601 | ||
26 | A" | 1297 | 1213 | 0.935 | 86 | 602 | ||
27 | A" | 1220 | 1185 | 0.971 | 86 | 603 | ||
28 | A" | 1206 | 1168 | 0.969 | 86 | 604 | ||
29 | A" | 1178 | 1036 | 0.879 | 86 | 605 | ||
30 | A" | 1111 | 86 | 606 | ||||
31 | A" | 992 | 925 | 0.933 | 86 | 607 | ||
32 | A" | 944 | 912 | 0.966 | 86 | 608 | ||
33 | A" | 912 | 883 | 0.968 | 86 | 609 | ||
34 | A" | 747 | 788 | 1.055 | 86 | 610 | ||
35 | A" | 387 | 354 | 0.915 | 86 | 611 | ||
36 | A" | 251 | 240 | 0.956 | 86 | 612 | ||
C5H12 | Propane, 2,2-dimethyl- | 1 | A1 | 2956 | 2909 | 0.984 | 87 | 613 |
2 | A1 | 1358 | 1381 | 1.017 | 87 | 614 | ||
3 | A1 | 753 | 733 | 0.973 | 87 | 615 | ||
4 | A2 | 265 | 198 | 0.746 | 87 | 616 | ||
5 | E | 3036 | 2955 | 0.973 | 87 | 617 | ||
6 | E | 1411 | 1451 | 1.028 | 87 | 618 | ||
7 | E | 1047 | 999 | 0.954 | 87 | 619 | ||
8 | E | 332 | 335 | 1.010 | 87 | 620 | ||
9 | T1 | 3035 | 2975 | 0.980 | 87 | 621 | ||
10 | T1 | 1401 | 1461 | 1.042 | 87 | 622 | ||
11 | T1 | 922 | 932 | 1.011 | 87 | 623 | ||
12 | T1 | 328 | 203 | 0.619 | 87 | 624 | ||
13 | T2 | 3035 | 2959 | 0.975 | 87 | 625 | ||
14 | T2 | 2952 | 2876 | 0.974 | 87 | 626 | ||
15 | T2 | 1446 | 1475 | 1.020 | 87 | 627 | ||
16 | T2 | 1322 | 1372 | 1.038 | 87 | 628 | ||
17 | T2 | 1256 | 1256 | 1.000 | 87 | 629 | ||
18 | T2 | 939 | 925 | 0.985 | 87 | 630 | ||
19 | T2 | 409 | 418 | 1.022 | 87 | 631 |
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0.70 | 0.75 | 0.80 | 0.85 | 0.90 | 0.95 | 1.00 | 1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | ||||||||||||||||||||||||||||||
Ratio of experimental frequency to calculated frequency |