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 | ||
0.907 ± 0.178 | 35 | 56 | cccbdb |
Formula | Name | Mode | Symmetry | Frequency | Count | |||
---|---|---|---|---|---|---|---|---|
Theory | Experiment | ratio | molecules | vibrations | ||||
MgH | magnesium monohydride | 1 | Σ | 1587 | 1432 | 0.902 | 1 | 1 |
CH | Methylidyne | 1 | Σ | 2887 | 2733 | 0.947 | 2 | 2 |
SiH | Silylidyne | 1 | Σ | 2030 | 1971 | 0.971 | 3 | 3 |
NH | Imidogen | 1 | Σ | 3233 | 3126 | 0.967 | 4 | 4 |
SiN | Silicon nitride | 1 | Σ | 1245 | 1138 | 0.914 | 5 | 5 |
PH | phosphorus monohydride | 1 | Σ | 2301 | 2276 | 0.989 | 6 | 6 |
CP | Carbon monophosphide | 1 | Σ | 1335 | 1226 | 0.918 | 7 | 7 |
OH | Hydroxyl radical | 1 | Σ | 3633 | 3570 | 0.983 | 8 | 8 |
LiO | lithium oxide | 1 | Σ | 929 | 799 | 0.860 | 9 | 9 |
NaO | sodium monoxide | 1 | Σ | 536 | 10 | 10 | ||
HS | Mercapto radical | 1 | Σ | 2596 | 2599 | 1.001 | 11 | 11 |
BS | boron sulfide | 1 | Σ | 1199 | 1167 | 0.974 | 12 | 12 |
SO | Sulfur monoxide | 1 | Σ | 1136 | 1138 | 1.001 | 13 | 13 |
1 | Σ | 1185 | 1054 | 0.890 | 13 | 14 | ||
AlS | Aluminum sulfide | 1 | Σ | 571 | 610 | 1.069 | 14 | 15 |
S2 | Sulfur diatomic | 1 | Σg | 635 | 720 | 1.133 | 15 | 16 |
BeF | Beryllium monofluoride | 1 | Σ | 1402 | 16 | 17 | ||
CF | Fluoromethylidyne | 1 | Σ | 1331 | 1286 | 0.966 | 17 | 18 |
MgF | Magnesium monofluoride | 1 | Σ | 798 | 18 | 19 | ||
SiF | silicon monofluoride | 1 | Σ | 928 | 848 | 0.913 | 19 | 20 |
BeCl | beryllium monochloride | 1 | Σ | 801 | 847 | 1.057 | 20 | 21 |
CCl | carbon monochloride | 1 | Σ | 630 | 866 | 1.374 | 21 | 22 |
ClO | Monochlorine monoxide | 1 | Σ | 796 | 843 | 1.058 | 22 | 23 |
MgCl | magnesium monochloride | 1 | Σ | 441 | 23 | 24 | ||
SiCl | Clorosilylidyne | 1 | Σ | 432 | 531 | 1.229 | 24 | 25 |
BH2 | boron dihydride | 2 | A1 | 1112 | 954 | 0.858 | 25 | 26 |
AlH2 | aluminum dihydride | 1 | A1 | 1922 | 1770 | 0.921 | 26 | 27 |
2 | A1 | 781 | 760 | 0.973 | 26 | 28 | ||
3 | B2 | 1938 | 1807 | 0.932 | 26 | 29 | ||
PH2 | Phosphino radical | 1 | A1 | 2350 | 2310 | 0.983 | 27 | 30 |
2 | A1 | 1222 | 1102 | 0.902 | 27 | 31 | ||
HCO | Formyl radical | 1 | A' | 3026 | 2434 | 0.805 | 28 | 32 |
2 | A' | 2030 | 1868 | 0.920 | 28 | 33 | ||
3 | A' | 1249 | 1081 | 0.865 | 28 | 34 | ||
HO2 | Hydroperoxy radical | 1 | A' | 3780 | 3436 | 0.909 | 29 | 35 |
2 | A' | 1496 | 1392 | 0.930 | 29 | 36 | ||
3 | A' | 1136 | 1098 | 0.966 | 29 | 37 | ||
NF2 | Difluoroamino radical | 1 | A1 | 1119 | 1075 | 0.961 | 30 | 38 |
2 | A1 | 543 | 573 | 1.055 | 30 | 39 | ||
3 | B2 | 1094 | 942 | 0.861 | 30 | 40 | ||
OClO | Chlorine dioxide | 1 | A1 | 655 | 946 | 1.443 | 31 | 41 |
2 | A1 | 295 | 448 | 1.516 | 31 | 42 | ||
3 | B2 | 909 | 1110 | 1.221 | 31 | 43 | ||
ClS2 | Sulfur chloride | 1 | A' | 469 | 662 | 1.413 | 32 | 44 |
2 | A' | 431 | 450 | 1.044 | 32 | 45 | ||
3 | A' | 180 | 196 | 1.090 | 32 | 46 | ||
SiH3 | Silyl radical | 1 | A1 | 2269 | 2136 | 0.942 | 33 | 47 |
2 | A1 | 819 | 728 | 0.889 | 33 | 48 | ||
3 | E | 2288 | 2185 | 0.955 | 33 | 49 | ||
4 | E | 992 | 922 | 0.929 | 33 | 50 | ||
CF3 | Trifluoromethyl radical | 1 | A1 | 1160 | 1089 | 0.939 | 34 | 51 |
2 | A1 | 709 | 701 | 0.989 | 34 | 52 | ||
3 | E | 1451 | 1260 | 0.868 | 34 | 53 | ||
4 | E | 520 | 509 | 0.978 | 34 | 54 |
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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 |