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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 | ||
0.954 ± 0.109 | 110 | 321 | cccbdb |
Formula | Name | Mode | Symmetry | Frequency | Count | |||
---|---|---|---|---|---|---|---|---|
Theory | Experiment | ratio | molecules | vibrations | ||||
H2 | Hydrogen diatomic | 1 | Σg | 4268 | 4161 | 0.975 | 1 | 1 |
LiH | Lithium Hydride | 1 | Σ | 1369 | 1360 | 0.993 | 2 | 2 |
Li2 | Lithium diatomic | 1 | Σg | 348 | 346 | 0.996 | 3 | 3 |
NaH | sodium hydride | 1 | Σ | 1116 | 1133 | 1.015 | 4 | 4 |
Na2 | Sodium diatomic | 1 | Σg | 153 | 158 | 1.029 | 5 | 5 |
BeH | beryllium monohydride | 1 | Σ | 1996 | 1987 | 0.996 | 6 | 6 |
MgH | magnesium monohydride | 1 | Σ | 1425 | 1432 | 1.005 | 7 | 7 |
BH | Boron monohydride | 1 | Σ | 2313 | 2269 | 0.981 | 8 | 8 |
AlH | aluminum monohydride | 1 | Σ | 1666 | 1625 | 0.976 | 9 | 9 |
CH | Methylidyne | 1 | Σ | 2825 | 2733 | 0.967 | 10 | 10 |
C2 | Carbon diatomic | 1 | Σg | 1864 | 1827 | 0.981 | 11 | 11 |
Si2 | Silicon diatomic | 1 | Σg | 508 | 507 | 0.998 | 12 | 12 |
NH | Imidogen | 1 | Σ | 3250 | 3126 | 0.962 | 13 | 13 |
CN | Cyano radical | 1 | Σ | 2135 | 2042 | 0.957 | 14 | 14 |
N2 | Nitrogen diatomic | 1 | Σg | 1658 | 2330 | 1.405 | 15 | 15 |
1 | Σg | 1791 | 1733 | 0.968 | 15 | 16 | ||
PH | phosphorus monohydride | 1 | Σ | 2277 | 2276 | 1.000 | 16 | 17 |
CP | Carbon monophosphide | 1 | Σ | 1276 | 1226 | 0.961 | 17 | 18 |
PN | Phosphorus mononitride | 1 | Σ | 1386 | 1323 | 0.955 | 18 | 19 |
P2 | Phosphorus diatomic | 1 | Σg | 797 | 775 | 0.973 | 19 | 20 |
OH | Hydroxyl radical | 1 | Σ | 3702 | 3570 | 0.964 | 20 | 21 |
LiO | lithium oxide | 1 | Σ | 911 | 799 | 0.877 | 21 | 22 |
BeO | beryllium oxide | 1 | Σ | 1544 | 1435 | 0.929 | 22 | 23 |
BO | boron monoxide | 1 | Σ | 1935 | 1862 | 0.962 | 23 | 24 |
CO | Carbon monoxide | 1 | Σ | 2232 | 2143 | 0.960 | 24 | 25 |
NaO | sodium monoxide | 1 | Σ | 561 | 25 | 26 | ||
MgO | magnesium oxide | 1 | Σ | 721 | 775 | 1.075 | 26 | 27 |
SiO | Silicon monoxide | 1 | Σ | 1286 | 1230 | 0.956 | 27 | 28 |
HS | Mercapto radical | 1 | Σ | 2583 | 2599 | 1.006 | 28 | 29 |
BeS | beryllium sulfide | 1 | Σ | 1017 | 986 | 0.969 | 29 | 30 |
BS | boron sulfide | 1 | Σ | 1208 | 1167 | 0.966 | 30 | 31 |
CS | carbon monosulfide | 1 | Σ | 1337 | 1272 | 0.952 | 31 | 32 |
SO | Sulfur monoxide | 1 | Σ | 1145 | 1138 | 0.994 | 32 | 33 |
1 | Σ | 1099 | 1054 | 0.960 | 32 | 34 | ||
MgS | magnesium sulfide | 1 | Σ | 513 | 523 | 1.020 | 33 | 35 |
AlS | Aluminum sulfide | 1 | Σ | 612 | 610 | 0.998 | 34 | 36 |
SiS | silicon monosulfide | 1 | Σ | 769 | 744 | 0.968 | 35 | 37 |
S2 | Sulfur diatomic | 1 | Σg | 705 | 720 | 1.021 | 36 | 38 |
HF | Hydrogen fluoride | 1 | Σ | 4085 | 3961 | 0.970 | 37 | 39 |
LiF | lithium fluoride | 1 | Σ | 964 | 896 | 0.929 | 38 | 40 |
BeF | Beryllium monofluoride | 1 | Σ | 1242 | 39 | 41 | ||
CF | Fluoromethylidyne | 1 | Σ | 1337 | 1286 | 0.962 | 40 | 42 |
NF | nitrogen fluoride | 1 | Σ | 1178 | 1123 | 0.953 | 41 | 43 |
F2 | Fluorine diatomic | 1 | Σg | 886 | 894 | 1.009 | 42 | 44 |
NaF | sodium fluoride | 1 | Σ | 576 | 529 | 0.917 | 43 | 45 |
MgF | Magnesium monofluoride | 1 | Σ | 725 | 44 | 46 | ||
AlF | Aluminum monofluoride | 1 | Σ | 821 | 793 | 0.966 | 45 | 47 |
SiF | silicon monofluoride | 1 | Σ | 861 | 848 | 0.985 | 46 | 48 |
PF | phosphorus monofluoride | 1 | Σ | 825 | 838 | 1.016 | 47 | 49 |
SF | Monosulfur monofluoride | 1 | Σ | 791 | 829 | 1.047 | 48 | 50 |
HCl | Hydrogen chloride | 1 | Σ | 2887 | 2886 | 1.000 | 49 | 51 |
LiCl | lithium chloride | 1 | Σ | 654 | 634 | 0.969 | 50 | 52 |
BeCl | beryllium monochloride | 1 | Σ | 859 | 847 | 0.985 | 51 | 53 |
BCl | boron monochloride | 1 | Σ | 865 | 829 | 0.959 | 52 | 54 |
CCl | carbon monochloride | 1 | Σ | 878 | 866 | 0.986 | 53 | 55 |
ClO | Monochlorine monoxide | 1 | Σ | 775 | 843 | 1.088 | 54 | 56 |
ClF | Chlorine monofluoride | 1 | Σ | 724 | 773 | 1.069 | 55 | 57 |
NaCl | Sodium Chloride | 1 | Σ | 364 | 361 | 0.992 | 56 | 58 |
MgCl | magnesium monochloride | 1 | Σ | 464 | 57 | 59 | ||
SiCl | Clorosilylidyne | 1 | Σ | 524 | 531 | 1.015 | 58 | 60 |
PCl | phosphorus chloride | 1 | Σ | 521 | 547 | 1.051 | 59 | 61 |
SCl | sulfur monochloride | 1 | Σ | 536 | 577 | 1.077 | 60 | 62 |
Cl2 | Chlorine diatomic | 1 | Σg | 523 | 554 | 1.060 | 61 | 63 |
BeH2 | beryllium dihydride | 2 | Σu | 2222 | 2159 | 0.972 | 62 | 64 |
3 | Πu | 715 | 698 | 0.976 | 62 | 65 | ||
MgH2 | magnesium dihydride | 2 | Σu | 1597 | 1572 | 0.984 | 63 | 66 |
3 | Πu | 450 | 440 | 0.978 | 63 | 67 | ||
BH2 | boron dihydride | 2 | A1 | 1004 | 954 | 0.949 | 64 | 68 |
AlH2 | aluminum dihydride | 1 | A1 | 1835 | 1770 | 0.964 | 65 | 69 |
2 | A1 | 760 | 760 | 1.000 | 65 | 70 | ||
3 | B2 | 1875 | 1807 | 0.964 | 65 | 71 | ||
SiH2 | silicon dihydride | 1 | A1 | 2018 | 1996 | 0.989 | 66 | 72 |
2 | A1 | 1028 | 999 | 0.972 | 66 | 73 | ||
3 | B2 | 2015 | 1993 | 0.989 | 66 | 74 | ||
HCN | Hydrogen cyanide | 1 | Σ | 3455 | 3312 | 0.958 | 67 | 75 |
2 | Σ | 2162 | 2089 | 0.966 | 67 | 76 | ||
3 | Π | 743 | 712 | 0.958 | 67 | 77 | ||
PH2 | Phosphino radical | 1 | A1 | 2322 | 2310 | 0.995 | 68 | 78 |
2 | A1 | 1153 | 1102 | 0.956 | 68 | 79 | ||
HCP | Phosphaethyne | 1 | Σ | 3351 | 3217 | 0.960 | 69 | 80 |
2 | Σ | 1330 | 1278 | 0.961 | 69 | 81 | ||
3 | Π | 681 | 674 | 0.990 | 69 | 82 | ||
HPO | Hydrogen phosphorus oxide | 1 | A' | 2110 | 2095 | 0.993 | 70 | 83 |
2 | A' | 1214 | 1188 | 0.978 | 70 | 84 | ||
3 | A' | 1038 | 986 | 0.950 | 70 | 85 | ||
H2O | Water | 1 | A1 | 3838 | 3657 | 0.953 | 71 | 86 |
2 | A1 | 1753 | 1595 | 0.910 | 71 | 87 | ||
3 | B2 | 3958 | 3756 | 0.949 | 71 | 88 | ||
BeOH | beryllium monohydroxide | 2 | A' | 1296 | 1246 | 0.961 | 72 | 89 |
HBO | Boron hydride oxide | 1 | Σ | 2878 | 2850 | 0.990 | 73 | 90 |
2 | Σ | 1876 | 1826 | 0.973 | 73 | 91 | ||
3 | Π | 782 | 756 | 0.967 | 73 | 92 | ||
HCO | Formyl radical | 1 | A' | 2668 | 2434 | 0.913 | 74 | 93 |
2 | A' | 1952 | 1868 | 0.957 | 74 | 94 | ||
3 | A' | 1144 | 1081 | 0.945 | 74 | 95 | ||
HNO | Nitrosyl hydride | 1 | A' | 2969 | 2684 | 0.904 | 75 | 96 |
2 | A' | 1674 | 1565 | 0.935 | 75 | 97 | ||
3 | A' | 1622 | 1501 | 0.925 | 75 | 98 | ||
HO2 | Hydroperoxy radical | 1 | A' | 3674 | 3436 | 0.935 | 76 | 99 |
2 | A' | 1520 | 1392 | 0.916 | 76 | 100 | ||
3 | A' | 1180 | 1098 | 0.930 | 76 | 101 | ||
NaOH | sodium hydroxide | 1 | Σ | 3939 | 3637 | 0.923 | 77 | 102 |
2 | Σ | 606 | 540 | 0.891 | 77 | 103 | ||
3 | Π | 226 | 300 | 1.329 | 77 | 104 | ||
H2S | Hydrogen sulfide | 1 | A1 | 2619 | 2615 | 0.998 | 78 | 105 |
2 | A1 | 1256 | 1183 | 0.942 | 78 | 106 | ||
3 | B2 | 2639 | 2626 | 0.995 | 78 | 107 | ||
HBS | hydrogen boron sulfide | 1 | Σ | 2806 | 2736 | 0.975 | 79 | 108 |
2 | Σ | 1208 | 1172 | 0.970 | 79 | 109 | ||
HCF | Fluoromethylene | 1 | A' | 2803 | 2643 | 0.943 | 80 | 110 |
2 | A' | 1482 | 1403 | 0.947 | 80 | 111 | ||
3 | A' | 1248 | 1189 | 0.952 | 80 | 112 | ||
HOF | Hypofluorous acid | 1 | A' | 3783 | 3578 | 0.946 | 81 | 113 |
2 | A' | 1463 | 1362 | 0.931 | 81 | 114 | ||
3 | A' | 938 | 893 | 0.952 | 81 | 115 | ||
HOCl | hypochlorous acid | 1 | A' | 3804 | 3609 | 0.949 | 82 | 116 |
2 | A' | 1330 | 1239 | 0.931 | 82 | 117 | ||
3 | A' | 704 | 724 | 1.029 | 82 | 118 | ||
BH3 | boron trihydride | 2 | A2" | 1147 | 1148 | 1.001 | 83 | 119 |
3 | E' | 2665 | 2602 | 0.976 | 83 | 120 | ||
4 | E' | 1192 | 1197 | 1.004 | 83 | 121 | ||
AlH3 | aluminum trihydride | 1 | A1' | 1930 | 1900 | 0.984 | 84 | 122 |
2 | A2" | 711 | 698 | 0.982 | 84 | 123 | ||
3 | E' | 1942 | 1883 | 0.970 | 84 | 124 | ||
4 | E' | 785 | 783 | 0.998 | 84 | 125 | ||
C2H2 | Acetylene | 1 | Σg | 3514 | 3374 | 0.960 | 85 | 126 |
2 | Σg | 2026 | 1974 | 0.975 | 85 | 127 | ||
3 | Σu | 3414 | 3289 | 0.963 | 85 | 128 | ||
4 | Πg | 430 | 612 | 1.424 | 85 | 129 | ||
5 | Πu | 745 | 730 | 0.980 | 85 | 130 | ||
SiH3 | Silyl radical | 1 | A1 | 2195 | 2136 | 0.973 | 86 | 131 |
2 | A1 | 768 | 728 | 0.947 | 86 | 132 | ||
3 | E | 2227 | 2185 | 0.981 | 86 | 133 | ||
4 | E | 936 | 922 | 0.985 | 86 | 134 | ||
NH3 | Ammonia | 1 | A1 | 3501 | 3337 | 0.953 | 87 | 135 |
2 | A1 | 1180 | 950 | 0.805 | 87 | 136 | ||
3 | E | 3632 | 3444 | 0.948 | 87 | 137 | ||
4 | E | 1770 | 1627 | 0.919 | 87 | 138 | ||
PH3 | Phosphine | 1 | A1 | 2357 | 2323 | 0.985 | 88 | 139 |
2 | A1 | 1057 | 992 | 0.938 | 88 | 140 | ||
3 | E | 2366 | 2328 | 0.984 | 88 | 141 | ||
4 | E | 1161 | 1118 | 0.963 | 88 | 142 | ||
H2CO | Formaldehyde | 1 | A1 | 2943 | 2782 | 0.945 | 89 | 143 |
2 | A1 | 1826 | 1746 | 0.956 | 89 | 144 | ||
3 | A1 | 1565 | 1500 | 0.958 | 89 | 145 | ||
4 | B1 | 1196 | 1167 | 0.976 | 89 | 146 | ||
5 | B2 | 3012 | 2843 | 0.944 | 89 | 147 | ||
6 | B2 | 1293 | 1249 | 0.966 | 89 | 148 | ||
H2O2 | Hydrogen peroxide | 1 | A | 3819 | 3599 | 0.942 | 90 | 149 |
2 | A | 1534 | 1402 | 0.914 | 90 | 150 | ||
3 | A | 962 | 877 | 0.912 | 90 | 151 | ||
4 | A | 336 | 371 | 1.106 | 90 | 152 | ||
5 | B | 3821 | 3608 | 0.944 | 90 | 153 | ||
6 | B | 1370 | 1266 | 0.924 | 90 | 154 | ||
H2CS | Thioformaldehyde | 1 | A1 | 3096 | 2971 | 0.959 | 91 | 155 |
2 | A1 | 1539 | 1456 | 0.945 | 91 | 156 | ||
3 | A1 | 1100 | 1059 | 0.963 | 91 | 157 | ||
4 | B1 | 1026 | 990 | 0.965 | 91 | 158 | ||
5 | B2 | 3186 | 3025 | 0.949 | 91 | 159 | ||
6 | B2 | 1041 | 991 | 0.952 | 91 | 160 | ||
H2S2 | Disulfane | 1 | A | 2591 | 2556 | 0.986 | 92 | 161 |
2 | A | 925 | 882 | 0.953 | 92 | 162 | ||
3 | A | 500 | 515 | 1.028 | 92 | 163 | ||
4 | A | 434 | 417 | 0.961 | 92 | 164 | ||
5 | B | 2591 | 2559 | 0.987 | 92 | 165 | ||
6 | B | 923 | 878 | 0.951 | 92 | 166 | ||
CH4 | Methane | 1 | A1 | 3037 | 2917 | 0.961 | 93 | 167 |
2 | E | 1587 | 1534 | 0.967 | 93 | 168 | ||
3 | T2 | 3155 | 3019 | 0.957 | 93 | 169 | ||
4 | T2 | 1379 | 1306 | 0.947 | 93 | 170 | ||
SiH4 | Silane | 1 | A1 | 2225 | 2187 | 0.983 | 94 | 171 |
2 | E | 972 | 975 | 1.003 | 94 | 172 | ||
3 | T2 | 2230 | 2191 | 0.982 | 94 | 173 | ||
4 | T2 | 925 | 914 | 0.988 | 94 | 174 | ||
CH2NH | Methanimine | 1 | A' | 3459 | 3263 | 0.943 | 95 | 175 |
2 | A' | 3164 | 3024 | 0.956 | 95 | 176 | ||
3 | A' | 3057 | 2914 | 0.953 | 95 | 177 | ||
4 | A' | 1714 | 1638 | 0.956 | 95 | 178 | ||
5 | A' | 1509 | 1452 | 0.962 | 95 | 179 | ||
6 | A' | 1425 | 1344 | 0.943 | 95 | 180 | ||
7 | A' | 1102 | 1058 | 0.960 | 95 | 181 | ||
8 | A" | 1186 | 1127 | 0.950 | 95 | 182 | ||
9 | A" | 1087 | 1061 | 0.975 | 95 | 183 | ||
CH3F | Methyl fluoride | 1 | A1 | 3054 | 2930 | 0.960 | 96 | 184 |
2 | A1 | 1535 | 1464 | 0.954 | 96 | 185 | ||
3 | A1 | 1104 | 1049 | 0.950 | 96 | 186 | ||
4 | E | 3142 | 3006 | 0.957 | 96 | 187 | ||
5 | E | 1530 | 1467 | 0.959 | 96 | 188 | ||
6 | E | 1223 | 1182 | 0.966 | 96 | 189 | ||
SiH3F | monofluorosilane | 1 | A1 | 2258 | 2206 | 0.977 | 97 | 190 |
2 | A1 | 1032 | 990 | 0.959 | 97 | 191 | ||
3 | A1 | 880 | 872 | 0.991 | 97 | 192 | ||
4 | E | 2262 | 2196 | 0.971 | 97 | 193 | ||
6 | E | 967 | 956 | 0.988 | 97 | 194 | ||
8 | E | 751 | 728 | 0.969 | 97 | 195 | ||
CH3Cl | Methyl chloride | 1 | A1 | 3088 | 2966 | 0.960 | 98 | 196 |
2 | A1 | 1444 | 1355 | 0.938 | 98 | 197 | ||
3 | A1 | 761 | 732 | 0.962 | 98 | 198 | ||
4 | E | 3188 | 3042 | 0.954 | 98 | 199 | ||
5 | E | 1510 | 1455 | 0.963 | 98 | 200 | ||
6 | E | 1068 | 1015 | 0.950 | 98 | 201 | ||
SiH3Cl | chlorosilane | 1 | A1 | 2255 | 2201 | 0.976 | 99 | 202 |
2 | A1 | 972 | 949 | 0.976 | 99 | 203 | ||
3 | A1 | 550 | 551 | 1.001 | 99 | 204 | ||
4 | E | 2266 | 2195 | 0.969 | 99 | 205 | ||
5 | E | 961 | 954 | 0.993 | 99 | 206 | ||
6 | E | 684 | 664 | 0.971 | 99 | 207 | ||
C2H4 | Ethylene | 1 | Ag | 3159 | 3026 | 0.958 | 100 | 208 |
2 | Ag | 1697 | 1623 | 0.956 | 100 | 209 | ||
3 | Ag | 1383 | 1342 | 0.971 | 100 | 210 | ||
4 | Au | 1051 | 1023 | 0.974 | 100 | 211 | ||
5 | B1u | 3141 | 2989 | 0.952 | 100 | 212 | ||
6 | B1u | 1489 | 1444 | 0.969 | 100 | 213 | ||
7 | B2g | 918 | 940 | 1.023 | 100 | 214 | ||
8 | B2u | 3246 | 3105 | 0.957 | 100 | 215 | ||
9 | B2u | 839 | 826 | 0.984 | 100 | 216 | ||
10 | B3g | 3220 | 3086 | 0.958 | 100 | 217 | ||
11 | B3g | 1251 | 1217 | 0.973 | 100 | 218 | ||
12 | B3u | 963 | 949 | 0.985 | 100 | 219 | ||
N2H4 | Hydrazine | 1 | A | 3606 | 3398 | 0.942 | 101 | 220 |
2 | A | 3503 | 3329 | 0.950 | 101 | 221 | ||
3 | A | 1777 | 1642 | 0.924 | 101 | 222 | ||
4 | A | 1398 | 1275 | 0.912 | 101 | 223 | ||
5 | A | 1169 | 1076 | 0.920 | 101 | 224 | ||
6 | A | 921 | 780 | 0.847 | 101 | 225 | ||
7 | A | 447 | 377 | 0.842 | 101 | 226 | ||
8 | B | 3612 | 3350 | 0.928 | 101 | 227 | ||
9 | B | 3490 | 3314 | 0.950 | 101 | 228 | ||
10 | B | 1761 | 1628 | 0.924 | 101 | 229 | ||
11 | B | 1353 | 1275 | 0.942 | 101 | 230 | ||
12 | B | 1089 | 966 | 0.887 | 101 | 231 | ||
CH3OH | Methyl alcohol | 1 | A' | 3860 | 3681 | 0.954 | 102 | 232 |
2 | A' | 3143 | 3000 | 0.954 | 102 | 233 | ||
3 | A' | 3010 | 2844 | 0.945 | 102 | 234 | ||
4 | A' | 1545 | 1477 | 0.956 | 102 | 235 | ||
5 | A' | 1521 | 1455 | 0.957 | 102 | 236 | ||
6 | A' | 1427 | 1345 | 0.942 | 102 | 237 | ||
7 | A' | 1109 | 1060 | 0.956 | 102 | 238 | ||
8 | A' | 1095 | 1033 | 0.943 | 102 | 239 | ||
9 | A" | 3063 | 2960 | 0.966 | 102 | 240 | ||
10 | A" | 1530 | 1477 | 0.966 | 102 | 241 | ||
11 | A" | 1195 | 1165 | 0.975 | 102 | 242 | ||
12 | A" | 360 | 200 | 0.555 | 102 | 243 | ||
CH3SH | Methanethiol | 1 | A' | 3156 | 3000 | 0.951 | 103 | 244 |
2 | A' | 3067 | 2931 | 0.956 | 103 | 245 | ||
3 | A' | 2616 | 2597 | 0.993 | 103 | 246 | ||
4 | A' | 1518 | 1475 | 0.972 | 103 | 247 | ||
5 | A' | 1425 | 1335 | 0.937 | 103 | 248 | ||
6 | A' | 1133 | 1074 | 0.948 | 103 | 249 | ||
7 | A' | 819 | 803 | 0.980 | 103 | 250 | ||
8 | A' | 739 | 708 | 0.958 | 103 | 251 | ||
9 | A" | 3155 | 3000 | 0.951 | 103 | 252 | ||
10 | A" | 1506 | 1430 | 0.949 | 103 | 253 | ||
11 | A" | 1015 | 976 | 0.961 | 103 | 254 | ||
CH3NH2 | methyl amine | 1 | A' | 3524 | 3361 | 0.954 | 104 | 255 |
2 | A' | 3085 | 2961 | 0.960 | 104 | 256 | ||
3 | A' | 2993 | 2820 | 0.942 | 104 | 257 | ||
4 | A' | 1752 | 1623 | 0.926 | 104 | 258 | ||
5 | A' | 1530 | 1473 | 0.963 | 104 | 259 | ||
6 | A' | 1494 | 1430 | 0.957 | 104 | 260 | ||
7 | A' | 1213 | 1130 | 0.932 | 104 | 261 | ||
8 | A' | 1088 | 1044 | 0.960 | 104 | 262 | ||
9 | A' | 921 | 780 | 0.847 | 104 | 263 | ||
10 | A" | 3605 | 3427 | 0.951 | 104 | 264 | ||
11 | A" | 3123 | 2985 | 0.956 | 104 | 265 | ||
12 | A" | 1549 | 1485 | 0.959 | 104 | 266 | ||
13 | A" | 1394 | 1335 | 0.958 | 104 | 267 | ||
14 | A" | 994 | 104 | 268 | ||||
15 | A" | 336 | 268 | 0.799 | 104 | 269 | ||
C2H6 | Ethane | 1 | A1g | 3044 | 2954 | 0.970 | 105 | 270 |
2 | A1g | 1463 | 1388 | 0.949 | 105 | 271 | ||
3 | A1g | 1028 | 995 | 0.968 | 105 | 272 | ||
4 | A1u | 316 | 289 | 0.914 | 105 | 273 | ||
5 | A2u | 3041 | 2896 | 0.952 | 105 | 274 | ||
6 | A2u | 1440 | 1379 | 0.958 | 105 | 275 | ||
7 | Eg | 3101 | 2969 | 0.958 | 105 | 276 | ||
8 | Eg | 1533 | 1468 | 0.957 | 105 | 277 | ||
9 | Eg | 1245 | 1190 | 0.956 | 105 | 278 | ||
10 | Eu | 3123 | 2985 | 0.956 | 105 | 279 | ||
11 | Eu | 1537 | 1469 | 0.956 | 105 | 280 | ||
12 | Eu | 832 | 822 | 0.988 | 105 | 281 | ||
CH3SiH3 | methyl silane | 1 | A1 | 3041 | 2898 | 0.953 | 106 | 282 |
2 | A1 | 2213 | 2166 | 0.979 | 106 | 283 | ||
3 | A1 | 1355 | 1260 | 0.930 | 106 | 284 | ||
4 | A1 | 953 | 940 | 0.986 | 106 | 285 | ||
5 | A1 | 713 | 700 | 0.982 | 106 | 286 | ||
6 | A2 | 181 | 187 | 1.031 | 106 | 287 | ||
7 | E | 3120 | 2982 | 0.956 | 106 | 288 | ||
8 | E | 2211 | 2169 | 0.981 | 106 | 289 | ||
9 | E | 1500 | 1403 | 0.935 | 106 | 290 | ||
10 | E | 963 | 980 | 1.018 | 106 | 291 | ||
11 | E | 915 | 868 | 0.949 | 106 | 292 | ||
12 | E | 529 | 540 | 1.020 | 106 | 293 | ||
Si2H6 | disilane | 1 | A1g | 2207 | 2152 | 0.975 | 107 | 294 |
2 | A1g | 941 | 909 | 0.966 | 107 | 295 | ||
3 | A1g | 444 | 434 | 0.979 | 107 | 296 | ||
4 | A1u | 143 | 131 | 0.917 | 107 | 297 | ||
5 | A2u | 2197 | 2154 | 0.981 | 107 | 298 | ||
6 | A2u | 866 | 844 | 0.975 | 107 | 299 | ||
7 | Eg | 2205 | 2155 | 0.977 | 107 | 300 | ||
8 | Eg | 940 | 929 | 0.988 | 107 | 301 | ||
9 | Eg | 652 | 625 | 0.959 | 107 | 302 | ||
10 | Eu | 2213 | 2179 | 0.984 | 107 | 303 | ||
11 | Eu | 956 | 940 | 0.983 | 107 | 304 | ||
12 | Eu | 393 | 379 | 0.966 | 107 | 305 |
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120 | ![]() |
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100 | ![]() |
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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 |