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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 | ||
0.970 ± 0.112 | 51 | 395 | cccbdb |
Formula | Name | Mode | Symmetry | Frequency | Count | |||
---|---|---|---|---|---|---|---|---|
Theory | Experiment | ratio | molecules | vibrations | ||||
H2 | Hydrogen diatomic | 1 | Σg | 4429 | 4161 | 0.939 | 1 | 1 |
LiH | Lithium Hydride | 1 | Σ | 1333 | 1360 | 1.020 | 2 | 2 |
NaH | sodium hydride | 1 | Σ | 1074 | 1133 | 1.055 | 3 | 3 |
BeH | beryllium monohydride | 1 | Σ | 2011 | 1987 | 0.988 | 4 | 4 |
MgH | magnesium monohydride | 1 | Σ | 1433 | 1432 | 0.999 | 5 | 5 |
BH | Boron monohydride | 1 | Σ | 2244 | 2269 | 1.011 | 6 | 6 |
AlH | aluminum monohydride | 1 | Σ | 1572 | 1625 | 1.033 | 7 | 7 |
CH | Methylidyne | 1 | Σ | 2619 | 2733 | 1.043 | 8 | 8 |
1 | Σ | 3158 | 8 | 9 | ||||
SiH | Silylidyne | 1 | Σ | 1866 | 1971 | 1.056 | 9 | 10 |
NH | Imidogen | 1 | Σ | 2925 | 3126 | 1.069 | 10 | 11 |
PH | phosphorus monohydride | 1 | Σ | 2120 | 2276 | 1.074 | 11 | 12 |
1 | Σ | 2098 | 2319 | 1.105 | 11 | 13 | ||
OH | Hydroxyl radical | 1 | Σ | 3269 | 3570 | 1.092 | 12 | 14 |
LiO | lithium oxide | 1 | Σ | 876 | 799 | 0.913 | 13 | 15 |
NaO | sodium monoxide | 1 | Σ | 488 | 14 | 16 | ||
HS | Mercapto radical | 1 | Σ | 2366 | 2599 | 1.098 | 15 | 17 |
CS | carbon monosulfide | 1 | Σ | 796 | 1272 | 1.599 | 16 | 18 |
HF | Hydrogen fluoride | 1 | Σ | 3691 | 3961 | 1.073 | 17 | 19 |
HCl | Hydrogen chloride | 1 | Σ | 2603 | 2886 | 1.109 | 18 | 20 |
BeH2 | beryllium dihydride | 2 | Σu | 2234 | 2159 | 0.966 | 19 | 21 |
3 | Πu | 717 | 698 | 0.974 | 19 | 22 | ||
MgH2 | magnesium dihydride | 2 | Σu | 1585 | 1572 | 0.991 | 20 | 23 |
3 | Πu | 476 | 440 | 0.925 | 20 | 24 | ||
BH2 | boron dihydride | 2 | A1 | 1044 | 954 | 0.913 | 21 | 25 |
AlH2 | aluminum dihydride | 1 | A1 | 1783 | 1770 | 0.993 | 22 | 26 |
2 | A1 | 736 | 760 | 1.033 | 22 | 27 | ||
3 | B2 | 1824 | 1807 | 0.990 | 22 | 28 | ||
SiH2 | silicon dihydride | 1 | A1 | 1906 | 1996 | 1.047 | 23 | 29 |
2 | A1 | 991 | 999 | 1.008 | 23 | 30 | ||
3 | B2 | 1911 | 1993 | 1.043 | 23 | 31 | ||
PH2 | Phosphino radical | 1 | A1 | 2158 | 2310 | 1.071 | 24 | 32 |
2 | A1 | 1108 | 1102 | 0.995 | 24 | 33 | ||
H2O | Water | 1 | A1 | 3434 | 3657 | 1.065 | 25 | 34 |
2 | A1 | 1723 | 1595 | 0.926 | 25 | 35 | ||
3 | B2 | 3582 | 3756 | 1.049 | 25 | 36 | ||
HO2 | Hydroperoxy radical | 1 | A' | 3321 | 3436 | 1.035 | 26 | 37 |
2 | A' | 1508 | 1392 | 0.923 | 26 | 38 | ||
3 | A' | 1377 | 1098 | 0.797 | 26 | 39 | ||
H2S | Hydrogen sulfide | 1 | A1 | 2405 | 2615 | 1.087 | 27 | 40 |
2 | A1 | 1205 | 1183 | 0.982 | 27 | 41 | ||
3 | B2 | 2431 | 2626 | 1.080 | 27 | 42 | ||
CF2 | Difluoromethylene | 1 | A1 | 1162 | 1225 | 1.054 | 28 | 43 |
2 | A1 | 595 | 667 | 1.122 | 28 | 44 | ||
3 | B2 | 1121 | 1114 | 0.994 | 28 | 45 | ||
BH3 | boron trihydride | 2 | A2" | 1159 | 1148 | 0.990 | 29 | 46 |
3 | E' | 2705 | 2602 | 0.962 | 29 | 47 | ||
4 | E' | 1224 | 1197 | 0.977 | 29 | 48 | ||
AlH3 | aluminum trihydride | 1 | A1' | 1865 | 1900 | 1.019 | 30 | 49 |
2 | A2" | 692 | 698 | 1.009 | 30 | 50 | ||
3 | E' | 1886 | 1883 | 0.998 | 30 | 51 | ||
4 | E' | 759 | 783 | 1.033 | 30 | 52 | ||
SiH3 | Silyl radical | 1 | A1 | 2136 | 2136 | 1.000 | 31 | 53 |
2 | A1 | 725 | 728 | 1.004 | 31 | 54 | ||
3 | E | 2175 | 2185 | 1.005 | 31 | 55 | ||
4 | E | 921 | 922 | 1.002 | 31 | 56 | ||
NH3 | Ammonia | 1 | A1 | 3361 | 3337 | 0.993 | 32 | 57 |
2 | A1 | 978 | 950 | 0.972 | 32 | 58 | ||
3 | E | 3506 | 3444 | 0.982 | 32 | 59 | ||
4 | E | 1783 | 1627 | 0.913 | 32 | 60 | ||
PH3 | Phosphine | 1 | A1 | 2209 | 2323 | 1.051 | 33 | 61 |
2 | A1 | 1020 | 992 | 0.972 | 33 | 62 | ||
3 | E | 2215 | 2328 | 1.051 | 33 | 63 | ||
4 | E | 1134 | 1118 | 0.986 | 33 | 64 | ||
CH4 | Methane | 1 | A1 | 3029 | 2917 | 0.963 | 34 | 65 |
2 | E | 1641 | 1534 | 0.935 | 34 | 66 | ||
3 | T2 | 3132 | 3019 | 0.964 | 34 | 67 | ||
4 | T2 | 1435 | 1306 | 0.910 | 34 | 68 | ||
SiH4 | Silane | 1 | A1 | 2156 | 2187 | 1.014 | 35 | 69 |
2 | E | 959 | 975 | 1.016 | 35 | 70 | ||
3 | T2 | 2168 | 2191 | 1.011 | 35 | 71 | ||
4 | T2 | 893 | 914 | 1.023 | 35 | 72 | ||
SiH2Cl2 | dichlorosilane | 1 | A1 | 2231 | 2224 | 0.997 | 36 | 73 |
2 | A1 | 919 | 954 | 1.038 | 36 | 74 | ||
3 | A1 | 436 | 527 | 1.208 | 36 | 75 | ||
4 | A1 | 165 | 188 | 1.142 | 36 | 76 | ||
5 | A2 | 695 | 710 | 1.022 | 36 | 77 | ||
6 | B1 | 2260 | 2237 | 0.990 | 36 | 78 | ||
7 | B1 | 545 | 602 | 1.104 | 36 | 79 | ||
8 | B2 | 855 | 876 | 1.025 | 36 | 80 | ||
9 | B2 | 496 | 590 | 1.189 | 36 | 81 | ||
C3H4 | cyclopropene | 1 | A1 | 3310 | 3158 | 0.954 | 37 | 82 |
2 | A1 | 3104 | 2909 | 0.937 | 37 | 83 | ||
3 | A1 | 1639 | 1653 | 1.009 | 37 | 84 | ||
4 | A1 | 1557 | 1483 | 0.953 | 37 | 85 | ||
5 | A1 | 1115 | 1110 | 0.995 | 37 | 86 | ||
6 | A1 | 913 | 905 | 0.992 | 37 | 87 | ||
7 | A2 | 1041 | 996 | 0.957 | 37 | 88 | ||
8 | A2 | 833 | 820 | 0.984 | 37 | 89 | ||
9 | B1 | 3188 | 2995 | 0.939 | 37 | 90 | ||
10 | B1 | 1113 | 1088 | 0.978 | 37 | 91 | ||
11 | B1 | 611 | 569 | 0.931 | 37 | 92 | ||
12 | B2 | 3261 | 3124 | 0.958 | 37 | 93 | ||
13 | B2 | 1117 | 1043 | 0.934 | 37 | 94 | ||
14 | B2 | 1091 | 1011 | 0.927 | 37 | 95 | ||
15 | B2 | 686 | 769 | 1.121 | 37 | 96 | ||
CH3NH2 | methyl amine | 1 | A' | 3364 | 3361 | 0.999 | 38 | 97 |
2 | A' | 3062 | 2961 | 0.967 | 38 | 98 | ||
3 | A' | 2956 | 2820 | 0.954 | 38 | 99 | ||
4 | A' | 1748 | 1623 | 0.928 | 38 | 100 | ||
5 | A' | 1577 | 1473 | 0.934 | 38 | 101 | ||
6 | A' | 1506 | 1430 | 0.949 | 38 | 102 | ||
7 | A' | 1191 | 1130 | 0.949 | 38 | 103 | ||
8 | A' | 1020 | 1044 | 1.024 | 38 | 104 | ||
9 | A' | 801 | 780 | 0.973 | 38 | 105 | ||
10 | A" | 3459 | 3427 | 0.991 | 38 | 106 | ||
11 | A" | 3102 | 2985 | 0.962 | 38 | 107 | ||
12 | A" | 1600 | 1485 | 0.928 | 38 | 108 | ||
13 | A" | 1384 | 1335 | 0.964 | 38 | 109 | ||
14 | A" | 990 | 38 | 110 | ||||
15 | A" | 333 | 268 | 0.804 | 38 | 111 | ||
SF6 | Sulfur Hexafluoride | 1 | A1g | 673 | 774 | 1.149 | 39 | 112 |
2 | Eg | 679 | 642 | 0.946 | 39 | 113 | ||
3 | T1u | 997 | 948 | 0.950 | 39 | 114 | ||
4 | T1u | 465 | 616 | 1.324 | 39 | 115 | ||
5 | T2g | 395 | 525 | 1.329 | 39 | 116 | ||
6 | T2u | 258 | 347 | 1.347 | 39 | 117 | ||
C2F6 | hexafluoroethane | 1 | A1g | 1369 | 1420 | 1.037 | 40 | 118 |
2 | A1g | 756 | 809 | 1.071 | 40 | 119 | ||
3 | A1g | 339 | 349 | 1.030 | 40 | 120 | ||
4 | A1u | 59 | 68 | 1.162 | 40 | 121 | ||
5 | A2u | 1121 | 1117 | 0.997 | 40 | 122 | ||
6 | A2u | 654 | 714 | 1.092 | 40 | 123 | ||
7 | Eg | 1281 | 1237 | 0.965 | 40 | 124 | ||
8 | Eg | 596 | 620 | 1.041 | 40 | 125 | ||
9 | Eg | 358 | 380 | 1.062 | 40 | 126 | ||
10 | Eu | 1308 | 1251 | 0.956 | 40 | 127 | ||
11 | Eu | 493 | 523 | 1.060 | 40 | 128 | ||
12 | Eu | 200 | 216 | 1.082 | 40 | 129 | ||
CH2CHCH3 | Propene | 1 | A' | 3198 | 3090 | 0.966 | 41 | 130 |
2 | A' | 3125 | 3013 | 0.964 | 41 | 131 | ||
3 | A' | 3113 | 2991 | 0.961 | 41 | 132 | ||
4 | A' | 3089 | 2954 | 0.956 | 41 | 133 | ||
5 | A' | 3018 | 2871 | 0.951 | 41 | 134 | ||
6 | A' | 1679 | 1650 | 0.983 | 41 | 135 | ||
7 | A' | 1577 | 1470 | 0.932 | 41 | 136 | ||
8 | A' | 1507 | 1420 | 0.942 | 41 | 137 | ||
9 | A' | 1473 | 1378 | 0.936 | 41 | 138 | ||
10 | A' | 1363 | 1297 | 0.951 | 41 | 139 | ||
11 | A' | 1216 | 1171 | 0.963 | 41 | 140 | ||
12 | A' | 995 | 963 | 0.968 | 41 | 141 | ||
13 | A' | 891 | 920 | 1.032 | 41 | 142 | ||
14 | A' | 436 | 428 | 0.982 | 41 | 143 | ||
15 | A" | 3075 | 2954 | 0.961 | 41 | 144 | ||
16 | A" | 1564 | 1443 | 0.923 | 41 | 145 | ||
17 | A" | 1115 | 1045 | 0.937 | 41 | 146 | ||
18 | A" | 1025 | 991 | 0.967 | 41 | 147 | ||
19 | A" | 935 | 912 | 0.976 | 41 | 148 | ||
20 | A" | 584 | 578 | 0.990 | 41 | 149 | ||
21 | A" | 185 | 174 | 0.940 | 41 | 150 | ||
CH3CH2NH2 | Ethylamine | 1 | A' | 3343 | 3345 | 1.001 | 42 | 151 |
2 | A' | 3092 | 2985 | 0.965 | 42 | 152 | ||
3 | A' | 3040 | 2840 | 0.934 | 42 | 153 | ||
4 | A' | 3017 | 2860 | 0.948 | 42 | 154 | ||
5 | A' | 1744 | 1622 | 0.930 | 42 | 155 | ||
6 | A' | 1579 | 1487 | 0.942 | 42 | 156 | ||
7 | A' | 1561 | 1465 | 0.938 | 42 | 157 | ||
8 | A' | 1464 | 1378 | 0.941 | 42 | 158 | ||
9 | A' | 1407 | 1397 | 0.993 | 42 | 159 | ||
10 | A' | 1171 | 1016 | 0.867 | 42 | 160 | ||
11 | A' | 1017 | 1086 | 1.068 | 42 | 161 | ||
12 | A' | 904 | 892 | 0.987 | 42 | 162 | ||
13 | A' | 798 | 773 | 0.969 | 42 | 163 | ||
14 | A' | 391 | 403 | 1.031 | 42 | 164 | ||
15 | A" | 3437 | 3412 | 0.993 | 42 | 165 | ||
16 | A" | 3097 | 2924 | 0.944 | 42 | 166 | ||
17 | A" | 3071 | 2906 | 0.946 | 42 | 167 | ||
18 | A" | 1577 | 1455 | 0.923 | 42 | 168 | ||
19 | A" | 1416 | 1238 | 0.874 | 42 | 169 | ||
20 | A" | 1317 | 1293 | 0.982 | 42 | 170 | ||
21 | A" | 1034 | 1117 | 1.081 | 42 | 171 | ||
22 | A" | 789 | 816 | 1.034 | 42 | 172 | ||
23 | A" | 318 | 259 | 0.816 | 42 | 173 | ||
24 | A" | 262 | 218 | 0.831 | 42 | 174 | ||
C4H4N2 | Pyrazine | 1 | Ag | 3181 | 3055 | 0.960 | 43 | 175 |
2 | Ag | 1519 | 1580 | 1.040 | 43 | 176 | ||
3 | Ag | 1248 | 1233 | 0.988 | 43 | 177 | ||
4 | Ag | 966 | 1016 | 1.052 | 43 | 178 | ||
5 | Ag | 619 | 602 | 0.972 | 43 | 179 | ||
6 | Au | 997 | 960 | 0.963 | 43 | 180 | ||
7 | Au | 345 | 350 | 1.015 | 43 | 181 | ||
8 | B1g | 946 | 927 | 0.979 | 43 | 182 | ||
9 | B1u | 3156 | 3012 | 0.954 | 43 | 183 | ||
10 | B1u | 1485 | 1483 | 0.998 | 43 | 184 | ||
11 | B1u | 1140 | 1130 | 0.991 | 43 | 185 | ||
12 | B1u | 976 | 1018 | 1.043 | 43 | 186 | ||
13 | B2g | 989 | 983 | 0.994 | 43 | 187 | ||
14 | B2g | 775 | 756 | 0.975 | 43 | 188 | ||
15 | B2u | 3172 | 3069 | 0.967 | 43 | 189 | ||
16 | B2u | 1423 | 1411 | 0.992 | 43 | 190 | ||
17 | B2u | 1091 | 1149 | 1.053 | 43 | 191 | ||
18 | B2u | 1003 | 1063 | 1.060 | 43 | 192 | ||
19 | B3g | 3153 | 3040 | 0.964 | 43 | 193 | ||
20 | B3g | 1449 | 1525 | 1.052 | 43 | 194 | ||
21 | B3g | 1363 | 1346 | 0.987 | 43 | 195 | ||
22 | B3g | 715 | 704 | 0.985 | 43 | 196 | ||
23 | B3u | 803 | 785 | 0.977 | 43 | 197 | ||
24 | B3u | 432 | 418 | 0.967 | 43 | 198 | ||
CH3CH2CHO | Propanal | 1 | A' | 3117 | 2981 | 0.956 | 44 | 199 |
2 | A' | 3047 | 2904 | 0.953 | 44 | 200 | ||
3 | A' | 3021 | 2895 | 0.958 | 44 | 201 | ||
4 | A' | 2879 | 2809 | 0.976 | 44 | 202 | ||
5 | A' | 1618 | 1743 | 1.078 | 44 | 203 | ||
6 | A' | 1575 | 1460 | 0.927 | 44 | 204 | ||
7 | A' | 1533 | 1416 | 0.924 | 44 | 205 | ||
8 | A' | 1481 | 1390 | 0.939 | 44 | 206 | ||
9 | A' | 1424 | 1376 | 0.966 | 44 | 207 | ||
10 | A' | 1368 | 1335 | 0.976 | 44 | 208 | ||
11 | A' | 1113 | 1093 | 0.982 | 44 | 209 | ||
12 | A' | 1003 | 993 | 0.990 | 44 | 210 | ||
13 | A' | 825 | 848 | 1.028 | 44 | 211 | ||
14 | A' | 672 | 668 | 0.994 | 44 | 212 | ||
15 | A' | 269 | 271 | 1.007 | 44 | 213 | ||
16 | A" | 3120 | 2992 | 0.959 | 44 | 214 | ||
17 | A" | 3053 | 2942 | 0.964 | 44 | 215 | ||
18 | A" | 1579 | 1451 | 0.919 | 44 | 216 | ||
19 | A" | 1326 | 1250 | 0.943 | 44 | 217 | ||
20 | A" | 1175 | 1118 | 0.951 | 44 | 218 | ||
21 | A" | 929 | 892 | 0.960 | 44 | 219 | ||
22 | A" | 713 | 660 | 0.925 | 44 | 220 | ||
23 | A" | 230 | 220 | 0.955 | 44 | 221 | ||
24 | A" | 124 | 135 | 1.088 | 44 | 222 | ||
CH3SSCH3 | Disulfide, dimethyl | 1 | A | 3176 | 2990 | 0.941 | 45 | 223 |
2 | A | 3154 | 2983 | 0.946 | 45 | 224 | ||
3 | A | 3062 | 2913 | 0.951 | 45 | 225 | ||
4 | A | 1547 | 1426 | 0.922 | 45 | 226 | ||
5 | A | 1539 | 1419 | 0.922 | 45 | 227 | ||
6 | A | 1401 | 1311 | 0.936 | 45 | 228 | ||
7 | A | 989 | 955 | 0.966 | 45 | 229 | ||
8 | A | 988 | 949 | 0.961 | 45 | 230 | ||
9 | A | 619 | 694 | 1.122 | 45 | 231 | ||
10 | A | 401 | 509 | 1.269 | 45 | 232 | ||
11 | A | 190 | 240 | 1.262 | 45 | 233 | ||
12 | A | 133 | 134 | 1.008 | 45 | 234 | ||
13 | A | 76 | 117 | 1.532 | 45 | 235 | ||
14 | B | 3176 | 2990 | 0.941 | 45 | 236 | ||
15 | B | 3153 | 2983 | 0.946 | 45 | 237 | ||
16 | B | 3062 | 2915 | 0.952 | 45 | 238 | ||
17 | B | 1551 | 1430 | 0.922 | 45 | 239 | ||
18 | B | 1533 | 1415 | 0.923 | 45 | 240 | ||
19 | B | 1394 | 1303 | 0.935 | 45 | 241 | ||
20 | B | 994 | 955 | 0.961 | 45 | 242 | ||
21 | B | 985 | 949 | 0.963 | 45 | 243 | ||
22 | B | 616 | 691 | 1.122 | 45 | 244 | ||
23 | B | 225 | 274 | 1.220 | 45 | 245 | ||
24 | B | 145 | 134 | 0.926 | 45 | 246 | ||
CH3COOCH3 | methyl acetate | 1 | A' | 3156 | 3035 | 0.962 | 46 | 247 |
2 | A' | 3154 | 3031 | 0.961 | 46 | 248 | ||
3 | A' | 3058 | 2966 | 0.970 | 46 | 249 | ||
4 | A' | 3047 | 2964 | 0.973 | 46 | 250 | ||
5 | A' | 1680 | 1771 | 1.054 | 46 | 251 | ||
6 | A' | 1576 | 1460 | 0.926 | 46 | 252 | ||
7 | A' | 1548 | 1440 | 0.930 | 46 | 253 | ||
8 | A' | 1495 | 1430 | 0.957 | 46 | 254 | ||
9 | A' | 1452 | 1375 | 0.947 | 46 | 255 | ||
10 | A' | 1231 | 1248 | 1.014 | 46 | 256 | ||
11 | A' | 1184 | 1159 | 0.979 | 46 | 257 | ||
12 | A' | 1055 | 1060 | 1.004 | 46 | 258 | ||
13 | A' | 952 | 980 | 1.030 | 46 | 259 | ||
14 | A' | 782 | 844 | 1.079 | 46 | 260 | ||
15 | A' | 618 | 639 | 1.034 | 46 | 261 | ||
16 | A' | 399 | 429 | 1.075 | 46 | 262 | ||
17 | A' | 265 | 303 | 1.143 | 46 | 263 | ||
18 | A" | 3124 | 3005 | 0.962 | 46 | 264 | ||
19 | A" | 3113 | 2994 | 0.962 | 46 | 265 | ||
20 | A" | 1561 | 1460 | 0.935 | 46 | 266 | ||
21 | A" | 1559 | 1430 | 0.917 | 46 | 267 | ||
22 | A" | 1169 | 1187 | 1.015 | 46 | 268 | ||
23 | A" | 1105 | 1036 | 0.938 | 46 | 269 | ||
24 | A" | 580 | 607 | 1.046 | 46 | 270 | ||
25 | A" | 173 | 187 | 1.082 | 46 | 271 | ||
26 | A" | 88 | 136 | 1.548 | 46 | 272 | ||
27 | A" | 79 | 110 | 1.396 | 46 | 273 | ||
C5H8 | 1,4-Pentadiene | 1 | A | 3196 | 3080 | 0.964 | 47 | 274 |
2 | A | 3124 | 3012 | 0.964 | 47 | 275 | ||
3 | A | 3110 | 3012 | 0.968 | 47 | 276 | ||
4 | A | 3003 | 2900 | 0.966 | 47 | 277 | ||
5 | A | 1676 | 1644 | 0.981 | 47 | 278 | ||
6 | A | 1541 | 1433 | 0.930 | 47 | 279 | ||
7 | A | 1511 | 1413 | 0.935 | 47 | 280 | ||
8 | A | 1353 | 1295 | 0.957 | 47 | 281 | ||
9 | A | 1296 | 1263 | 0.975 | 47 | 282 | ||
10 | A | 1109 | 1120 | 1.010 | 47 | 283 | ||
11 | A | 1019 | 995 | 0.976 | 47 | 284 | ||
12 | A | 938 | 918 | 0.979 | 47 | 285 | ||
13 | A | 911 | 876 | 0.962 | 47 | 286 | ||
14 | A | 668 | 562 | 0.841 | 47 | 287 | ||
15 | A | 375 | 421 | 1.122 | 47 | 288 | ||
16 | A | 305 | 137 | 0.449 | 47 | 289 | ||
17 | A | 78 | 102 | 1.316 | 47 | 290 | ||
C6H12 | Cyclohexane | 1 | A1g | 3055 | 2930 | 0.959 | 48 | 291 |
2 | A1g | 3012 | 2852 | 0.947 | 48 | 292 | ||
3 | A1g | 1573 | 1465 | 0.931 | 48 | 293 | ||
4 | A1g | 1209 | 1157 | 0.957 | 48 | 294 | ||
5 | A1g | 781 | 802 | 1.027 | 48 | 295 | ||
6 | A1g | 382 | 383 | 1.004 | 48 | 296 | ||
7 | A1u | 1400 | 1383 | 0.988 | 48 | 297 | ||
8 | A1u | 1171 | 1157 | 0.988 | 48 | 298 | ||
9 | A1u | 1063 | 1057 | 0.994 | 48 | 299 | ||
10 | A2g | 1402 | 1437 | 1.025 | 48 | 300 | ||
11 | A2g | 1123 | 1090 | 0.970 | 48 | 301 | ||
12 | A2u | 3072 | 2915 | 0.949 | 48 | 302 | ||
13 | A2u | 3010 | 2860 | 0.950 | 48 | 303 | ||
14 | A2u | 1568 | 1437 | 0.917 | 48 | 304 | ||
15 | A2u | 1064 | 1030 | 0.968 | 48 | 305 | ||
16 | A2u | 527 | 523 | 0.992 | 48 | 306 | ||
17 | Eg | 3060 | 2930 | 0.957 | 48 | 307 | ||
18 | Eg | 3010 | 2897 | 0.962 | 48 | 308 | ||
19 | Eg | 1556 | 1443 | 0.928 | 48 | 309 | ||
20 | Eg | 1405 | 1347 | 0.959 | 48 | 310 | ||
21 | Eg | 1315 | 1266 | 0.963 | 48 | 311 | ||
22 | Eg | 1031 | 1027 | 0.996 | 48 | 312 | ||
23 | Eg | 808 | 785 | 0.971 | 48 | 313 | ||
24 | Eg | 434 | 426 | 0.981 | 48 | 314 | ||
25 | Eu | 3052 | 2933 | 0.961 | 48 | 315 | ||
26 | Eu | 3010 | 2863 | 0.951 | 48 | 316 | ||
27 | Eu | 1556 | 1457 | 0.936 | 48 | 317 | ||
28 | Eu | 1417 | 1355 | 0.956 | 48 | 318 | ||
29 | Eu | 1328 | 1261 | 0.950 | 48 | 319 | ||
30 | Eu | 946 | 907 | 0.959 | 48 | 320 | ||
31 | Eu | 842 | 863 | 1.025 | 48 | 321 | ||
32 | Eu | 235 | 248 | 1.054 | 48 | 322 |
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80 | ![]() |
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60 | ![]() |
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40 | ![]() |
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20 | ![]() |
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0 | ![]() |
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0.70 | 0.75 | 0.80 | 0.85 | 0.90 | 0.95 | 1.00 | 1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | ||||||||||||||||||||||||||||||
Ratio of experimental frequency to calculated frequency |