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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 | ||
0.908 ± 0.034 | 116 | 356 | cccbdb |
Formula | Name | Mode | Symmetry | Frequency | Count | |||
---|---|---|---|---|---|---|---|---|
Theory | Experiment | ratio | molecules | vibrations | ||||
H2 | Hydrogen diatomic | 1 | Σg | 4582 | 4161 | 0.908 | 1 | 1 |
LiH | Lithium Hydride | 1 | Σ | 1429 | 1360 | 0.951 | 2 | 2 |
Li2 | Lithium diatomic | 1 | Σg | 338 | 346 | 1.026 | 3 | 3 |
NaH | sodium hydride | 1 | Σ | 1164 | 1133 | 0.973 | 4 | 4 |
Na2 | Sodium diatomic | 1 | Σg | 155 | 158 | 1.015 | 5 | 5 |
BeH | beryllium monohydride | 1 | Σ | 2122 | 1987 | 0.936 | 6 | 6 |
MgH | magnesium monohydride | 1 | Σ | 1545 | 1432 | 0.927 | 7 | 7 |
BH | Boron monohydride | 1 | Σ | 2486 | 2269 | 0.913 | 8 | 8 |
AlH | aluminum monohydride | 1 | Σ | 1733 | 1625 | 0.938 | 9 | 9 |
CH | Methylidyne | 1 | Σ | 3032 | 2733 | 0.901 | 10 | 10 |
1 | Σ | 3349 | 10 | 11 | ||||
C2 | Carbon diatomic | 1 | Σg | 1904 | 1827 | 0.960 | 11 | 12 |
SiH | Silylidyne | 1 | Σ | 2128 | 1971 | 0.926 | 12 | 13 |
NH | Imidogen | 1 | Σ | 3512 | 3126 | 0.890 | 13 | 14 |
CN | Cyano radical | 1 | Σ | 2026 | 2042 | 1.008 | 14 | 15 |
N2 | Nitrogen diatomic | 1 | Σg | 2730 | 2330 | 0.854 | 15 | 16 |
1 | Σg | 1943 | 1733 | 0.892 | 15 | 17 | ||
PH | phosphorus monohydride | 1 | Σ | 2495 | 2276 | 0.912 | 16 | 18 |
1 | Σ | 2511 | 2319 | 0.924 | 16 | 19 | ||
PN | Phosphorus mononitride | 1 | Σ | 1592 | 1323 | 0.831 | 17 | 20 |
P2 | Phosphorus diatomic | 1 | Σg | 912 | 775 | 0.850 | 18 | 21 |
OH | Hydroxyl radical | 1 | Σ | 4042 | 3570 | 0.883 | 19 | 22 |
LiO | lithium oxide | 1 | Σ | 855 | 799 | 0.935 | 20 | 23 |
BeO | beryllium oxide | 1 | Σ | 1730 | 1435 | 0.829 | 21 | 24 |
BO | boron monoxide | 1 | Σ | 2082 | 1862 | 0.894 | 22 | 25 |
CO | Carbon monoxide | 1 | Σ | 2427 | 2143 | 0.883 | 23 | 26 |
1 | Σ | 1793 | 23 | 27 | ||||
NaO | sodium monoxide | 1 | Σ | 526 | 24 | 28 | ||
MgO | magnesium oxide | 1 | Σ | 817 | 775 | 0.949 | 25 | 29 |
SiO | Silicon monoxide | 1 | Σ | 1408 | 1230 | 0.874 | 26 | 30 |
HS | Mercapto radical | 1 | Σ | 2840 | 2599 | 0.915 | 27 | 31 |
BeS | beryllium sulfide | 1 | Σ | 1067 | 986 | 0.923 | 28 | 32 |
BS | boron sulfide | 1 | Σ | 1254 | 1167 | 0.931 | 29 | 33 |
CS | carbon monosulfide | 1 | Σ | 1422 | 1272 | 0.895 | 30 | 34 |
SO | Sulfur monoxide | 1 | Σ | 1341 | 1138 | 0.848 | 31 | 35 |
1 | Σ | 1355 | 1054 | 0.778 | 31 | 36 | ||
MgS | magnesium sulfide | 1 | Σ | 550 | 523 | 0.952 | 32 | 37 |
AlS | Aluminum sulfide | 1 | Σ | 616 | 610 | 0.992 | 33 | 38 |
SiS | silicon monosulfide | 1 | Σ | 816 | 744 | 0.913 | 34 | 39 |
S2 | Sulfur diatomic | 1 | Σg | 818 | 720 | 0.880 | 35 | 40 |
HF | Hydrogen fluoride | 1 | Σ | 4477 | 3961 | 0.885 | 36 | 41 |
LiF | lithium fluoride | 1 | Σ | 945 | 896 | 0.948 | 37 | 42 |
BeF | Beryllium monofluoride | 1 | Σ | 1315 | 38 | 43 | ||
CF | Fluoromethylidyne | 1 | Σ | 1411 | 1286 | 0.911 | 39 | 44 |
NF | nitrogen fluoride | 1 | Σ | 1265 | 1123 | 0.888 | 40 | 45 |
F2 | Fluorine diatomic | 1 | Σg | 1264 | 894 | 0.707 | 41 | 46 |
NaF | sodium fluoride | 1 | Σ | 539 | 529 | 0.980 | 42 | 47 |
AlF | Aluminum monofluoride | 1 | Σ | 842 | 793 | 0.941 | 43 | 48 |
SiF | silicon monofluoride | 1 | Σ | 907 | 848 | 0.935 | 44 | 49 |
SF | Monosulfur monofluoride | 1 | Σ | 922 | 829 | 0.899 | 45 | 50 |
HCl | Hydrogen chloride | 1 | Σ | 3139 | 2886 | 0.919 | 46 | 51 |
LiCl | lithium chloride | 1 | Σ | 642 | 634 | 0.987 | 47 | 52 |
BeCl | beryllium monochloride | 1 | Σ | 846 | 847 | 1.000 | 48 | 53 |
BCl | boron monochloride | 1 | Σ | 852 | 829 | 0.973 | 49 | 54 |
CCl | carbon monochloride | 1 | Σ | 871 | 866 | 0.994 | 50 | 55 |
ClO | Monochlorine monoxide | 1 | Σ | 846 | 843 | 0.996 | 51 | 56 |
ClF | Chlorine monofluoride | 1 | Σ | 918 | 773 | 0.843 | 52 | 57 |
NaCl | Sodium Chloride | 1 | Σ | 356 | 361 | 1.015 | 53 | 58 |
AlCl | Aluminum monochloride | 1 | Σ | 475 | 478 | 1.005 | 54 | 59 |
SiCl | Clorosilylidyne | 1 | Σ | 528 | 531 | 1.007 | 55 | 60 |
SCl | sulfur monochloride | 1 | Σ | 594 | 577 | 0.972 | 56 | 61 |
Cl2 | Chlorine diatomic | 1 | Σg | 615 | 554 | 0.902 | 57 | 62 |
BeH2 | beryllium dihydride | 2 | Σu | 2288 | 2159 | 0.944 | 58 | 63 |
3 | Πu | 744 | 698 | 0.938 | 58 | 64 | ||
MgH2 | magnesium dihydride | 2 | Σu | 1669 | 1572 | 0.942 | 59 | 65 |
3 | Πu | 459 | 440 | 0.959 | 59 | 66 | ||
BH2 | boron dihydride | 2 | A1 | 1103 | 954 | 0.865 | 60 | 67 |
AlH2 | aluminum dihydride | 1 | A1 | 1933 | 1770 | 0.916 | 61 | 68 |
2 | A1 | 823 | 760 | 0.923 | 61 | 69 | ||
3 | B2 | 1949 | 1807 | 0.927 | 61 | 70 | ||
SiH2 | silicon dihydride | 1 | A1 | 2157 | 1996 | 0.925 | 62 | 71 |
2 | A1 | 1104 | 999 | 0.905 | 62 | 72 | ||
3 | B2 | 2145 | 1993 | 0.929 | 62 | 73 | ||
NH2 | Amino radical | 1 | A1 | 3602 | 3219 | 0.894 | 63 | 74 |
2 | A1 | 1640 | 1497 | 0.913 | 63 | 75 | ||
3 | B2 | 3689 | 3301 | 0.895 | 63 | 76 | ||
HCN | Hydrogen cyanide | 1 | Σ | 3605 | 3312 | 0.919 | 64 | 77 |
2 | Σ | 2408 | 2089 | 0.867 | 64 | 78 | ||
3 | Π | 878 | 712 | 0.811 | 64 | 79 | ||
HNC | hydrogen isocyanide | 1 | Σ | 4047 | 3653 | 0.903 | 65 | 80 |
2 | Σ | 2286 | 2029 | 0.888 | 65 | 81 | ||
3 | Π | 543 | 477 | 0.879 | 65 | 82 | ||
HCP | Phosphaethyne | 1 | Σ | 3514 | 3217 | 0.916 | 66 | 83 |
2 | Σ | 1467 | 1278 | 0.871 | 66 | 84 | ||
3 | Π | 827 | 674 | 0.815 | 66 | 85 | ||
HPO | Hydrogen phosphorus oxide | 1 | A' | 2303 | 2095 | 0.910 | 67 | 86 |
2 | A' | 1391 | 1188 | 0.854 | 67 | 87 | ||
3 | A' | 1100 | 986 | 0.896 | 67 | 88 | ||
H2O | Water | 1 | A1 | 4130 | 3657 | 0.885 | 68 | 89 |
2 | A1 | 1751 | 1595 | 0.911 | 68 | 90 | ||
3 | B2 | 4230 | 3756 | 0.888 | 68 | 91 | ||
LiOH | lithium hydroxide | 1 | Σ | 4323 | 3688 | 0.853 | 69 | 92 |
2 | Σ | 980 | 871 | 0.888 | 69 | 93 | ||
3 | Π | 359 | 257 | 0.715 | 69 | 94 | ||
BeOH | beryllium monohydroxide | 2 | A' | 1326 | 1246 | 0.939 | 70 | 95 |
HBO | Boron hydride oxide | 1 | Σ | 2989 | 2850 | 0.954 | 71 | 96 |
2 | Σ | 2001 | 1826 | 0.912 | 71 | 97 | ||
3 | Π | 861 | 756 | 0.878 | 71 | 98 | ||
HCO | Formyl radical | 1 | A' | 2855 | 2434 | 0.853 | 72 | 99 |
2 | A' | 2121 | 1868 | 0.881 | 72 | 100 | ||
3 | A' | 1224 | 1081 | 0.883 | 72 | 101 | ||
HNO | Nitrosyl hydride | 1 | A' | 3306 | 2684 | 0.812 | 73 | 102 |
2 | A' | 1940 | 1565 | 0.807 | 73 | 103 | ||
3 | A' | 1711 | 1501 | 0.877 | 73 | 104 | ||
HO2 | Hydroperoxy radical | 1 | A' | 4060 | 3436 | 0.846 | 74 | 105 |
2 | A' | 1608 | 1392 | 0.866 | 74 | 106 | ||
3 | A' | 1264 | 1098 | 0.868 | 74 | 107 | ||
NaOH | sodium hydroxide | 1 | Σ | 4271 | 3637 | 0.851 | 75 | 108 |
2 | Σ | 573 | 540 | 0.943 | 75 | 109 | ||
3 | Π | 295 | 300 | 1.018 | 75 | 110 | ||
H2S | Hydrogen sulfide | 1 | A1 | 2858 | 2615 | 0.915 | 76 | 111 |
2 | A1 | 1318 | 1183 | 0.898 | 76 | 112 | ||
3 | B2 | 2867 | 2626 | 0.916 | 76 | 113 | ||
HBS | hydrogen boron sulfide | 1 | Σ | 2935 | 2736 | 0.932 | 77 | 114 |
2 | Σ | 1238 | 1172 | 0.947 | 77 | 115 | ||
HCF | Fluoromethylene | 1 | A' | 3010 | 2643 | 0.878 | 78 | 116 |
2 | A' | 1542 | 1403 | 0.910 | 78 | 117 | ||
3 | A' | 1324 | 1189 | 0.898 | 78 | 118 | ||
HOF | Hypofluorous acid | 1 | A' | 4106 | 3578 | 0.871 | 79 | 119 |
2 | A' | 1597 | 1362 | 0.853 | 79 | 120 | ||
3 | A' | 1180 | 893 | 0.757 | 79 | 121 | ||
HOCl | hypochlorous acid | 1 | A' | 4131 | 3609 | 0.874 | 80 | 122 |
2 | A' | 1389 | 1239 | 0.892 | 80 | 123 | ||
3 | A' | 870 | 724 | 0.833 | 80 | 124 | ||
BH3 | boron trihydride | 2 | A2" | 1222 | 1148 | 0.939 | 81 | 125 |
3 | E' | 2750 | 2602 | 0.946 | 81 | 126 | ||
4 | E' | 1293 | 1197 | 0.925 | 81 | 127 | ||
AlH3 | aluminum trihydride | 1 | A1' | 2012 | 1900 | 0.944 | 82 | 128 |
2 | A2" | 757 | 698 | 0.922 | 82 | 129 | ||
3 | E' | 2000 | 1883 | 0.941 | 82 | 130 | ||
4 | E' | 847 | 783 | 0.925 | 82 | 131 | ||
C2H2 | Acetylene | 1 | Σg | 3664 | 3374 | 0.921 | 83 | 132 |
2 | Σg | 2212 | 1974 | 0.893 | 83 | 133 | ||
3 | Σu | 3554 | 3289 | 0.925 | 83 | 134 | ||
4 | Πg | 811 | 612 | 0.755 | 83 | 135 | ||
5 | Πu | 867 | 730 | 0.842 | 83 | 136 | ||
SiH3 | Silyl radical | 1 | A1 | 2306 | 2136 | 0.926 | 84 | 137 |
2 | A1 | 884 | 728 | 0.824 | 84 | 138 | ||
3 | E | 2320 | 2185 | 0.942 | 84 | 139 | ||
4 | E | 1010 | 922 | 0.913 | 84 | 140 | ||
NH3 | Ammonia | 1 | A1 | 3689 | 3337 | 0.905 | 85 | 141 |
2 | A1 | 1112 | 950 | 0.854 | 85 | 142 | ||
3 | E | 3812 | 3444 | 0.903 | 85 | 143 | ||
4 | E | 1790 | 1627 | 0.909 | 85 | 144 | ||
PH3 | Phosphine | 1 | A1 | 2536 | 2323 | 0.916 | 86 | 145 |
2 | A1 | 1101 | 992 | 0.901 | 86 | 146 | ||
3 | E | 2533 | 2328 | 0.919 | 86 | 147 | ||
4 | E | 1235 | 1118 | 0.906 | 86 | 148 | ||
H2CO | Formaldehyde | 1 | A1 | 3085 | 2782 | 0.902 | 87 | 149 |
2 | A1 | 1996 | 1746 | 0.875 | 87 | 150 | ||
3 | A1 | 1652 | 1500 | 0.908 | 87 | 151 | ||
4 | B1 | 1338 | 1167 | 0.872 | 87 | 152 | ||
5 | B2 | 3153 | 2843 | 0.902 | 87 | 153 | ||
6 | B2 | 1372 | 1249 | 0.910 | 87 | 154 | ||
H2O2 | Hydrogen peroxide | 1 | A | 4137 | 3599 | 0.870 | 88 | 155 |
2 | A | 1610 | 1402 | 0.871 | 88 | 156 | ||
3 | A | 1163 | 877 | 0.754 | 88 | 157 | ||
4 | A | 416 | 371 | 0.891 | 88 | 158 | ||
5 | B | 4136 | 3608 | 0.872 | 88 | 159 | ||
6 | B | 1493 | 1266 | 0.848 | 88 | 160 | ||
H2CS | Thioformaldehyde | 1 | A1 | 3240 | 2971 | 0.917 | 89 | 161 |
2 | A1 | 1622 | 1456 | 0.897 | 89 | 162 | ||
3 | A1 | 1173 | 1059 | 0.903 | 89 | 163 | ||
4 | B1 | 1156 | 990 | 0.856 | 89 | 164 | ||
5 | B2 | 3326 | 3025 | 0.909 | 89 | 165 | ||
6 | B2 | 1076 | 991 | 0.921 | 89 | 166 | ||
H2S2 | Disulfane | 1 | A | 2836 | 2556 | 0.901 | 90 | 167 |
2 | A | 984 | 882 | 0.897 | 90 | 168 | ||
3 | A | 562 | 515 | 0.915 | 90 | 169 | ||
4 | A | 454 | 417 | 0.919 | 90 | 170 | ||
5 | B | 2837 | 2559 | 0.902 | 90 | 171 | ||
6 | B | 988 | 878 | 0.889 | 90 | 172 | ||
CH4 | Methane | 1 | A1 | 3149 | 2917 | 0.926 | 91 | 173 |
2 | E | 1667 | 1534 | 0.920 | 91 | 174 | ||
3 | T2 | 3247 | 3019 | 0.930 | 91 | 175 | ||
4 | T2 | 1454 | 1306 | 0.898 | 91 | 176 | ||
SiH4 | Silane | 1 | A1 | 2335 | 2187 | 0.937 | 92 | 177 |
2 | E | 1044 | 975 | 0.934 | 92 | 178 | ||
3 | T2 | 2321 | 2191 | 0.944 | 92 | 179 | ||
4 | T2 | 1010 | 914 | 0.905 | 92 | 180 | ||
CH2NH | Methanimine | 1 | A' | 3702 | 3263 | 0.881 | 93 | 181 |
2 | A' | 3281 | 3024 | 0.922 | 93 | 182 | ||
3 | A' | 3192 | 2914 | 0.913 | 93 | 183 | ||
4 | A' | 1865 | 1638 | 0.878 | 93 | 184 | ||
5 | A' | 1604 | 1452 | 0.905 | 93 | 185 | ||
6 | A' | 1481 | 1344 | 0.908 | 93 | 186 | ||
7 | A' | 1153 | 1058 | 0.918 | 93 | 187 | ||
8 | A" | 1256 | 1127 | 0.898 | 93 | 188 | ||
9 | A" | 1229 | 1061 | 0.863 | 93 | 189 | ||
NH2OH | hydroxylamine | 1 | A' | 4174 | 3650 | 0.874 | 94 | 190 |
2 | A' | 3707 | 3294 | 0.889 | 94 | 191 | ||
3 | A' | 1820 | 1605 | 0.881 | 94 | 192 | ||
4 | A' | 1525 | 1353 | 0.888 | 94 | 193 | ||
5 | A' | 1239 | 1115 | 0.901 | 94 | 194 | ||
6 | A' | 1115 | 895 | 0.803 | 94 | 195 | ||
7 | A" | 3786 | 3359 | 0.887 | 94 | 196 | ||
8 | A" | 1463 | 1295 | 0.885 | 94 | 197 | ||
9 | A" | 449 | 386 | 0.860 | 94 | 198 | ||
CH3F | Methyl fluoride | 1 | A1 | 3182 | 2930 | 0.921 | 95 | 199 |
2 | A1 | 1618 | 1464 | 0.905 | 95 | 200 | ||
3 | A1 | 1166 | 1049 | 0.900 | 95 | 201 | ||
4 | E | 3258 | 3006 | 0.923 | 95 | 202 | ||
5 | E | 1620 | 1467 | 0.906 | 95 | 203 | ||
6 | E | 1307 | 1182 | 0.904 | 95 | 204 | ||
SiH3F | monofluorosilane | 1 | A1 | 2359 | 2206 | 0.935 | 96 | 205 |
2 | A1 | 1072 | 990 | 0.923 | 96 | 206 | ||
3 | A1 | 936 | 872 | 0.932 | 96 | 207 | ||
4 | E | 2347 | 2196 | 0.936 | 96 | 208 | ||
5 | E | 1044 | 956 | 0.916 | 96 | 209 | ||
6 | E | 784 | 728 | 0.928 | 96 | 210 | ||
CH3Cl | Methyl chloride | 1 | A1 | 3217 | 2966 | 0.922 | 97 | 211 |
2 | A1 | 1503 | 1355 | 0.902 | 97 | 212 | ||
3 | A1 | 770 | 732 | 0.951 | 97 | 213 | ||
4 | E | 3314 | 3042 | 0.918 | 97 | 214 | ||
5 | E | 1603 | 1455 | 0.907 | 97 | 215 | ||
6 | E | 1116 | 1015 | 0.910 | 97 | 216 | ||
SiH3Cl | chlorosilane | 1 | A1 | 2362 | 2201 | 0.932 | 98 | 217 |
2 | A1 | 1033 | 949 | 0.918 | 98 | 218 | ||
3 | A1 | 560 | 551 | 0.985 | 98 | 219 | ||
4 | E | 2359 | 2195 | 0.931 | 98 | 220 | ||
5 | E | 1036 | 954 | 0.921 | 98 | 221 | ||
6 | E | 713 | 664 | 0.932 | 98 | 222 | ||
C2H4 | Ethylene | 1 | Ag | 3290 | 3026 | 0.920 | 99 | 223 |
2 | Ag | 1818 | 1623 | 0.893 | 99 | 224 | ||
3 | Ag | 1475 | 1342 | 0.910 | 99 | 225 | ||
4 | Au | 1141 | 1023 | 0.896 | 99 | 226 | ||
5 | B1u | 3270 | 2989 | 0.914 | 99 | 227 | ||
6 | B1u | 1591 | 1444 | 0.907 | 99 | 228 | ||
7 | B2g | 1107 | 940 | 0.849 | 99 | 229 | ||
8 | B2u | 3371 | 3105 | 0.921 | 99 | 230 | ||
9 | B2u | 891 | 826 | 0.927 | 99 | 231 | ||
10 | B3g | 3342 | 3086 | 0.923 | 99 | 232 | ||
11 | B3g | 1344 | 1217 | 0.905 | 99 | 233 | ||
12 | B3u | 1085 | 949 | 0.875 | 99 | 234 | ||
N2H4 | Hydrazine | 1 | A | 3807 | 3398 | 0.892 | 100 | 235 |
2 | A | 3717 | 3329 | 0.896 | 100 | 236 | ||
3 | A | 1830 | 1642 | 0.897 | 100 | 237 | ||
4 | A | 1442 | 1275 | 0.884 | 100 | 238 | ||
5 | A | 1211 | 1076 | 0.889 | 100 | 239 | ||
6 | A | 935 | 780 | 0.835 | 100 | 240 | ||
7 | A | 470 | 377 | 0.801 | 100 | 241 | ||
8 | B | 3813 | 3350 | 0.878 | 100 | 242 | ||
9 | B | 3709 | 3314 | 0.893 | 100 | 243 | ||
10 | B | 1815 | 1628 | 0.897 | 100 | 244 | ||
11 | B | 1409 | 1275 | 0.905 | 100 | 245 | ||
12 | B | 1057 | 966 | 0.914 | 100 | 246 | ||
CH3OH | Methyl alcohol | 1 | A' | 4178 | 3681 | 0.881 | 101 | 247 |
2 | A' | 3246 | 3000 | 0.924 | 101 | 248 | ||
3 | A' | 3141 | 2844 | 0.905 | 101 | 249 | ||
4 | A' | 1631 | 1477 | 0.906 | 101 | 250 | ||
5 | A' | 1610 | 1455 | 0.904 | 101 | 251 | ||
6 | A' | 1481 | 1345 | 0.908 | 101 | 252 | ||
7 | A' | 1171 | 1060 | 0.905 | 101 | 253 | ||
8 | A' | 1154 | 1033 | 0.895 | 101 | 254 | ||
9 | A" | 3184 | 2960 | 0.930 | 101 | 255 | ||
10 | A" | 1621 | 1477 | 0.911 | 101 | 256 | ||
11 | A" | 1281 | 1165 | 0.909 | 101 | 257 | ||
12 | A" | 311 | 200 | 0.644 | 101 | 258 | ||
CH3SH | Methanethiol | 1 | A' | 3270 | 3000 | 0.917 | 102 | 259 |
2 | A' | 3190 | 2931 | 0.919 | 102 | 260 | ||
3 | A' | 2850 | 2597 | 0.911 | 102 | 261 | ||
4 | A' | 1608 | 1475 | 0.917 | 102 | 262 | ||
5 | A' | 1484 | 1335 | 0.899 | 102 | 263 | ||
6 | A' | 1195 | 1074 | 0.899 | 102 | 264 | ||
7 | A' | 856 | 803 | 0.938 | 102 | 265 | ||
8 | A' | 764 | 708 | 0.927 | 102 | 266 | ||
9 | A" | 3274 | 3000 | 0.916 | 102 | 267 | ||
10 | A" | 1593 | 1430 | 0.898 | 102 | 268 | ||
11 | A" | 1056 | 976 | 0.924 | 102 | 269 | ||
CH3NH2 | methyl amine | 1 | A' | 3727 | 3361 | 0.902 | 103 | 270 |
2 | A' | 3193 | 2961 | 0.927 | 103 | 271 | ||
3 | A' | 3118 | 2820 | 0.904 | 103 | 272 | ||
4 | A' | 1796 | 1623 | 0.904 | 103 | 273 | ||
5 | A' | 1618 | 1473 | 0.911 | 103 | 274 | ||
6 | A' | 1582 | 1430 | 0.904 | 103 | 275 | ||
7 | A' | 1269 | 1130 | 0.890 | 103 | 276 | ||
8 | A' | 1134 | 1044 | 0.921 | 103 | 277 | ||
9 | A' | 906 | 780 | 0.861 | 103 | 278 | ||
10 | A" | 3803 | 3427 | 0.901 | 103 | 279 | ||
11 | A" | 3225 | 2985 | 0.926 | 103 | 280 | ||
12 | A" | 1635 | 1485 | 0.909 | 103 | 281 | ||
13 | A" | 1457 | 1335 | 0.916 | 103 | 282 | ||
14 | A" | 1041 | 103 | 283 | ||||
15 | A" | 318 | 268 | 0.842 | 103 | 284 | ||
B2H6 | Diborane | 1 | Ag | 2700 | 2530 | 0.937 | 104 | 285 |
2 | Ag | 2241 | 2088 | 0.932 | 104 | 286 | ||
3 | Ag | 1297 | 1183 | 0.912 | 104 | 287 | ||
4 | Ag | 822 | 790 | 0.962 | 104 | 288 | ||
5 | Au | 889 | 833 | 0.937 | 104 | 289 | ||
6 | B1g | 2767 | 2596 | 0.938 | 104 | 290 | ||
7 | B1g | 992 | 915 | 0.922 | 104 | 291 | ||
8 | B1u | 2017 | 1930 | 0.957 | 104 | 292 | ||
9 | B1u | 1061 | 973 | 0.916 | 104 | 293 | ||
10 | B2g | 1902 | 1760 | 0.926 | 104 | 294 | ||
11 | B2g | 901 | 860 | 0.954 | 104 | 295 | ||
12 | B2u | 2783 | 2609 | 0.937 | 104 | 296 | ||
13 | B2u | 1093 | 949 | 0.868 | 104 | 297 | ||
14 | B2u | 408 | 369 | 0.902 | 104 | 298 | ||
15 | B3g | 1160 | 1020 | 0.880 | 104 | 299 | ||
16 | B3u | 2681 | 2520 | 0.940 | 104 | 300 | ||
17 | B3u | 1787 | 1603 | 0.897 | 104 | 301 | ||
18 | B3u | 1277 | 1172 | 0.918 | 104 | 302 | ||
C2H6 | Ethane | 1 | A1g | 3158 | 2954 | 0.935 | 105 | 303 |
2 | A1g | 1549 | 1388 | 0.896 | 105 | 304 | ||
3 | A1g | 1049 | 995 | 0.948 | 105 | 305 | ||
4 | A1u | 328 | 289 | 0.881 | 105 | 306 | ||
5 | A2u | 3152 | 2896 | 0.919 | 105 | 307 | ||
6 | A2u | 1522 | 1379 | 0.906 | 105 | 308 | ||
7 | Eg | 3194 | 2969 | 0.929 | 105 | 309 | ||
8 | Eg | 1614 | 1468 | 0.909 | 105 | 310 | ||
9 | Eg | 1324 | 1190 | 0.899 | 105 | 311 | ||
10 | Eu | 3222 | 2985 | 0.927 | 105 | 312 | ||
11 | Eu | 1619 | 1469 | 0.907 | 105 | 313 | ||
12 | Eu | 881 | 822 | 0.933 | 105 | 314 | ||
CH3SiH3 | methyl silane | 1 | A1 | 3152 | 2898 | 0.919 | 106 | 315 |
2 | A1 | 2314 | 2166 | 0.936 | 106 | 316 | ||
3 | A1 | 1409 | 1260 | 0.894 | 106 | 317 | ||
4 | A1 | 1033 | 940 | 0.910 | 106 | 318 | ||
5 | A1 | 725 | 700 | 0.966 | 106 | 319 | ||
6 | A2 | 210 | 187 | 0.892 | 106 | 320 | ||
7 | E | 3221 | 2982 | 0.926 | 106 | 321 | ||
8 | E | 2296 | 2169 | 0.945 | 106 | 322 | ||
9 | E | 1575 | 1403 | 0.891 | 106 | 323 | ||
10 | E | 1037 | 980 | 0.945 | 106 | 324 | ||
11 | E | 952 | 868 | 0.912 | 106 | 325 | ||
12 | E | 558 | 540 | 0.967 | 106 | 326 | ||
Si2H6 | disilane | 1 | A1g | 2316 | 2152 | 0.929 | 107 | 327 |
2 | A1g | 1023 | 909 | 0.888 | 107 | 328 | ||
3 | A1g | 442 | 434 | 0.982 | 107 | 329 | ||
4 | A1u | 137 | 131 | 0.957 | 107 | 330 | ||
5 | A2u | 2302 | 2154 | 0.936 | 107 | 331 | ||
6 | A2u | 941 | 844 | 0.896 | 107 | 332 | ||
7 | Eg | 2297 | 2155 | 0.938 | 107 | 333 | ||
8 | Eg | 1020 | 929 | 0.911 | 107 | 334 | ||
9 | Eg | 690 | 625 | 0.906 | 107 | 335 | ||
10 | Eu | 2307 | 2179 | 0.944 | 107 | 336 | ||
11 | Eu | 1035 | 940 | 0.908 | 107 | 337 | ||
12 | Eu | 403 | 379 | 0.940 | 107 | 338 |
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200 | ![]() |
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150 | ![]() |
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100 | ![]() |
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50 | ![]() |
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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 |