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 | ||
0.963 ± 0.111 | 111 | 322 | 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 | 1990 | 1987 | 0.998 | 6 | 6 |
MgH | magnesium monohydride | 1 | Σ | 1420 | 1432 | 1.008 | 7 | 7 |
BH | Boron monohydride | 1 | Σ | 2303 | 2269 | 0.985 | 8 | 8 |
AlH | aluminum monohydride | 1 | Σ | 1659 | 1625 | 0.980 | 9 | 9 |
CH | Methylidyne | 1 | Σ | 2802 | 2733 | 0.975 | 10 | 10 |
C2 | Carbon diatomic | 1 | Σg | 1814 | 1827 | 1.007 | 11 | 11 |
Si2 | Silicon diatomic | 1 | Σg | 490 | 507 | 1.034 | 12 | 12 |
NH | Imidogen | 1 | Σ | 3221 | 3126 | 0.970 | 13 | 13 |
CN | Cyano radical | 1 | Σ | 2101 | 2042 | 0.972 | 14 | 14 |
N2 | Nitrogen diatomic | 1 | Σg | 2333 | 2330 | 0.999 | 15 | 15 |
1 | Σg | 1727 | 1733 | 1.004 | 15 | 16 | ||
SiN | Silicon nitride | 1 | Σ | 1188 | 1138 | 0.958 | 16 | 17 |
PH | phosphorus monohydride | 1 | Σ | 2256 | 2276 | 1.009 | 17 | 18 |
CP | Carbon monophosphide | 1 | Σ | 1272 | 1226 | 0.964 | 18 | 19 |
PN | Phosphorus mononitride | 1 | Σ | 1324 | 1323 | 1.000 | 19 | 20 |
P2 | Phosphorus diatomic | 1 | Σg | 764 | 775 | 1.015 | 20 | 21 |
OH | Hydroxyl radical | 1 | Σ | 3678 | 3570 | 0.971 | 21 | 22 |
LiO | lithium oxide | 1 | Σ | 905 | 799 | 0.883 | 22 | 23 |
BeO | beryllium oxide | 1 | Σ | 1491 | 1435 | 0.962 | 23 | 24 |
BO | boron monoxide | 1 | Σ | 1857 | 1862 | 1.003 | 24 | 25 |
CO | Carbon monoxide | 1 | Σ | 2151 | 2143 | 0.996 | 25 | 26 |
NaO | sodium monoxide | 1 | Σ | 558 | 26 | 27 | ||
MgO | magnesium oxide | 1 | Σ | 714 | 775 | 1.086 | 27 | 28 |
SiO | Silicon monoxide | 1 | Σ | 1211 | 1230 | 1.015 | 28 | 29 |
HS | Mercapto radical | 1 | Σ | 2559 | 2599 | 1.016 | 29 | 30 |
BeS | beryllium sulfide | 1 | Σ | 970 | 986 | 1.016 | 30 | 31 |
BS | boron sulfide | 1 | Σ | 1161 | 1167 | 1.005 | 31 | 32 |
CS | carbon monosulfide | 1 | Σ | 1263 | 1272 | 1.008 | 32 | 33 |
SO | Sulfur monoxide | 1 | Σ | 1095 | 1138 | 1.039 | 33 | 34 |
1 | Σ | 1028 | 1054 | 1.026 | 33 | 35 | ||
MgS | magnesium sulfide | 1 | Σ | 515 | 523 | 1.015 | 34 | 36 |
AlS | Aluminum sulfide | 1 | Σ | 615 | 610 | 0.992 | 35 | 37 |
SiS | silicon monosulfide | 1 | Σ | 726 | 744 | 1.025 | 36 | 38 |
S2 | Sulfur diatomic | 1 | Σg | 677 | 720 | 1.063 | 37 | 39 |
HF | Hydrogen fluoride | 1 | Σ | 4060 | 3961 | 0.976 | 38 | 40 |
LiF | lithium fluoride | 1 | Σ | 959 | 896 | 0.934 | 39 | 41 |
BeF | Beryllium monofluoride | 1 | Σ | 1232 | 40 | 42 | ||
CF | Fluoromethylidyne | 1 | Σ | 1302 | 1286 | 0.988 | 41 | 43 |
NF | nitrogen fluoride | 1 | Σ | 1137 | 1123 | 0.988 | 42 | 44 |
F2 | Fluorine diatomic | 1 | Σg | 777 | 894 | 1.151 | 43 | 45 |
NaF | sodium fluoride | 1 | Σ | 574 | 529 | 0.921 | 44 | 46 |
MgF | Magnesium monofluoride | 1 | Σ | 720 | 45 | 47 | ||
AlF | Aluminum monofluoride | 1 | Σ | 814 | 793 | 0.974 | 46 | 48 |
SiF | silicon monofluoride | 1 | Σ | 849 | 848 | 0.998 | 47 | 49 |
PF | phosphorus monofluoride | 1 | Σ | 809 | 838 | 1.036 | 48 | 50 |
SF | Monosulfur monofluoride | 1 | Σ | 766 | 829 | 1.082 | 49 | 51 |
HCl | Hydrogen chloride | 1 | Σ | 2858 | 2886 | 1.010 | 50 | 52 |
LiCl | lithium chloride | 1 | Σ | 653 | 634 | 0.971 | 51 | 53 |
BeCl | beryllium monochloride | 1 | Σ | 856 | 847 | 0.990 | 52 | 54 |
BCl | boron monochloride | 1 | Σ | 856 | 829 | 0.969 | 53 | 55 |
CCl | carbon monochloride | 1 | Σ | 857 | 866 | 1.011 | 54 | 56 |
ClO | Monochlorine monoxide | 1 | Σ | 744 | 843 | 1.133 | 55 | 57 |
ClF | Chlorine monofluoride | 1 | Σ | 687 | 773 | 1.127 | 56 | 58 |
NaCl | Sodium Chloride | 1 | Σ | 363 | 361 | 0.994 | 57 | 59 |
MgCl | magnesium monochloride | 1 | Σ | 462 | 58 | 60 | ||
SiCl | Clorosilylidyne | 1 | Σ | 517 | 531 | 1.027 | 59 | 61 |
PCl | phosphorus chloride | 1 | Σ | 511 | 547 | 1.070 | 60 | 62 |
SCl | sulfur monochloride | 1 | Σ | 521 | 577 | 1.108 | 61 | 63 |
Cl2 | Chlorine diatomic | 1 | Σg | 502 | 554 | 1.104 | 62 | 64 |
BeH2 | beryllium dihydride | 2 | Σu | 2219 | 2159 | 0.973 | 63 | 65 |
3 | Πu | 714 | 698 | 0.978 | 63 | 66 | ||
MgH2 | magnesium dihydride | 2 | Σu | 1595 | 1572 | 0.986 | 64 | 67 |
3 | Πu | 448 | 440 | 0.981 | 64 | 68 | ||
BH2 | boron dihydride | 2 | A1 | 1002 | 954 | 0.952 | 65 | 69 |
AlH2 | aluminum dihydride | 1 | A1 | 1826 | 1770 | 0.969 | 66 | 70 |
2 | A1 | 757 | 760 | 1.004 | 66 | 71 | ||
3 | B2 | 1866 | 1807 | 0.968 | 66 | 72 | ||
SiH2 | silicon dihydride | 1 | A1 | 2006 | 1996 | 0.995 | 67 | 73 |
2 | A1 | 1020 | 999 | 0.979 | 67 | 74 | ||
3 | B2 | 2004 | 1993 | 0.994 | 67 | 75 | ||
HCN | Hydrogen cyanide | 1 | Σ | 3426 | 3312 | 0.967 | 68 | 76 |
2 | Σ | 2097 | 2089 | 0.996 | 68 | 77 | ||
3 | Π | 720 | 712 | 0.989 | 68 | 78 | ||
PH2 | Phosphino radical | 1 | A1 | 2303 | 2310 | 1.003 | 69 | 79 |
2 | A1 | 1145 | 1102 | 0.962 | 69 | 80 | ||
HCP | Phosphaethyne | 1 | Σ | 3325 | 3217 | 0.968 | 70 | 81 |
2 | Σ | 1286 | 1278 | 0.994 | 70 | 82 | ||
3 | Π | 650 | 674 | 1.037 | 70 | 83 | ||
HPO | Hydrogen phosphorus oxide | 1 | A' | 2058 | 2095 | 1.018 | 71 | 84 |
2 | A' | 1161 | 1188 | 1.023 | 71 | 85 | ||
3 | A' | 1019 | 986 | 0.967 | 71 | 86 | ||
H2O | Water | 1 | A1 | 3807 | 3657 | 0.961 | 72 | 87 |
2 | A1 | 1746 | 1595 | 0.914 | 72 | 88 | ||
3 | B2 | 3930 | 3756 | 0.956 | 72 | 89 | ||
BeOH | beryllium monohydroxide | 2 | A' | 1285 | 1246 | 0.969 | 73 | 90 |
HBO | Boron hydride oxide | 1 | Σ | 2860 | 2850 | 0.996 | 74 | 91 |
2 | Σ | 1820 | 1826 | 1.003 | 74 | 92 | ||
3 | Π | 765 | 756 | 0.989 | 74 | 93 | ||
HCO | Formyl radical | 1 | A' | 2624 | 2434 | 0.928 | 75 | 94 |
2 | A' | 1880 | 1868 | 0.994 | 75 | 95 | ||
3 | A' | 1133 | 1081 | 0.954 | 75 | 96 | ||
HNO | Nitrosyl hydride | 1 | A' | 2896 | 2684 | 0.927 | 76 | 97 |
2 | A' | 1611 | 1565 | 0.972 | 76 | 98 | ||
3 | A' | 1574 | 1501 | 0.954 | 76 | 99 | ||
HO2 | Hydroperoxy radical | 1 | A' | 3627 | 3436 | 0.947 | 77 | 100 |
2 | A' | 1492 | 1392 | 0.933 | 77 | 101 | ||
3 | A' | 1131 | 1098 | 0.971 | 77 | 102 | ||
NaOH | sodium hydroxide | 1 | Σ | 3901 | 3637 | 0.932 | 78 | 103 |
2 | Σ | 604 | 540 | 0.894 | 78 | 104 | ||
3 | Π | 235 | 300 | 1.275 | 78 | 105 | ||
H2S | Hydrogen sulfide | 1 | A1 | 2596 | 2615 | 1.007 | 79 | 106 |
2 | A1 | 1247 | 1183 | 0.949 | 79 | 107 | ||
3 | B2 | 2617 | 2626 | 1.003 | 79 | 108 | ||
HBS | hydrogen boron sulfide | 1 | Σ | 2791 | 2736 | 0.980 | 80 | 109 |
2 | Σ | 1172 | 1172 | 1.000 | 80 | 110 | ||
HCF | Fluoromethylene | 1 | A' | 2769 | 2643 | 0.955 | 81 | 111 |
2 | A' | 1466 | 1403 | 0.957 | 81 | 112 | ||
3 | A' | 1217 | 1189 | 0.977 | 81 | 113 | ||
HOF | Hypofluorous acid | 1 | A' | 3739 | 3578 | 0.957 | 82 | 114 |
2 | A' | 1423 | 1362 | 0.957 | 82 | 115 | ||
3 | A' | 860 | 893 | 1.038 | 82 | 116 | ||
HOCl | hypochlorous acid | 1 | A' | 3759 | 3609 | 0.960 | 83 | 117 |
2 | A' | 1309 | 1239 | 0.946 | 83 | 118 | ||
3 | A' | 664 | 724 | 1.090 | 83 | 119 | ||
BH3 | boron trihydride | 2 | A2" | 1143 | 1148 | 1.004 | 84 | 120 |
3 | E' | 2657 | 2602 | 0.979 | 84 | 121 | ||
4 | E' | 1188 | 1197 | 1.007 | 84 | 122 | ||
AlH3 | aluminum trihydride | 1 | A1' | 1922 | 1900 | 0.989 | 85 | 123 |
2 | A2" | 708 | 698 | 0.985 | 85 | 124 | ||
3 | E' | 1935 | 1883 | 0.973 | 85 | 125 | ||
4 | E' | 783 | 783 | 1.001 | 85 | 126 | ||
C2H2 | Acetylene | 1 | Σg | 3488 | 3374 | 0.967 | 86 | 127 |
2 | Σg | 1978 | 1974 | 0.998 | 86 | 128 | ||
3 | Σu | 3394 | 3289 | 0.969 | 86 | 129 | ||
4 | Πg | 338 | 612 | 1.808 | 86 | 130 | ||
5 | Πu | 722 | 730 | 1.010 | 86 | 131 | ||
SiH3 | Silyl radical | 1 | A1 | 2183 | 2136 | 0.978 | 87 | 132 |
2 | A1 | 764 | 728 | 0.953 | 87 | 133 | ||
3 | E | 2217 | 2185 | 0.986 | 87 | 134 | ||
4 | E | 932 | 922 | 0.990 | 87 | 135 | ||
NH3 | Ammonia | 1 | A1 | 3472 | 3337 | 0.961 | 88 | 136 |
2 | A1 | 1184 | 950 | 0.802 | 88 | 137 | ||
3 | E | 3607 | 3444 | 0.955 | 88 | 138 | ||
4 | E | 1762 | 1627 | 0.923 | 88 | 139 | ||
PH3 | Phosphine | 1 | A1 | 2338 | 2323 | 0.993 | 89 | 140 |
2 | A1 | 1051 | 992 | 0.944 | 89 | 141 | ||
3 | E | 2348 | 2328 | 0.991 | 89 | 142 | ||
4 | E | 1153 | 1118 | 0.970 | 89 | 143 | ||
H2CO | Formaldehyde | 1 | A1 | 2908 | 2782 | 0.957 | 90 | 144 |
2 | A1 | 1780 | 1746 | 0.981 | 90 | 145 | ||
3 | A1 | 1550 | 1500 | 0.968 | 90 | 146 | ||
4 | B1 | 1175 | 1167 | 0.993 | 90 | 147 | ||
5 | B2 | 2972 | 2843 | 0.957 | 90 | 148 | ||
6 | B2 | 1278 | 1249 | 0.977 | 90 | 149 | ||
H2O2 | Hydrogen peroxide | 1 | A | 3779 | 3599 | 0.952 | 91 | 150 |
2 | A | 1507 | 1402 | 0.930 | 91 | 151 | ||
3 | A | 898 | 877 | 0.977 | 91 | 152 | ||
4 | A | 317 | 371 | 1.169 | 91 | 153 | ||
5 | B | 3782 | 3608 | 0.954 | 91 | 154 | ||
6 | B | 1336 | 1266 | 0.948 | 91 | 155 | ||
H2CS | Thioformaldehyde | 1 | A1 | 3068 | 2971 | 0.968 | 92 | 156 |
2 | A1 | 1525 | 1456 | 0.955 | 92 | 157 | ||
3 | A1 | 1065 | 1059 | 0.994 | 92 | 158 | ||
4 | B1 | 1005 | 990 | 0.986 | 92 | 159 | ||
5 | B2 | 3159 | 3025 | 0.958 | 92 | 160 | ||
6 | B2 | 1032 | 991 | 0.960 | 92 | 161 | ||
H2S2 | Disulfane | 1 | A | 2560 | 2556 | 0.998 | 93 | 162 |
2 | A | 912 | 882 | 0.967 | 93 | 163 | ||
3 | A | 487 | 515 | 1.057 | 93 | 164 | ||
4 | A | 429 | 417 | 0.972 | 93 | 165 | ||
5 | B | 2561 | 2559 | 0.999 | 93 | 166 | ||
6 | B | 909 | 878 | 0.966 | 93 | 167 | ||
CH4 | Methane | 1 | A1 | 3019 | 2917 | 0.966 | 94 | 168 |
2 | E | 1580 | 1534 | 0.971 | 94 | 169 | ||
3 | T2 | 3139 | 3019 | 0.962 | 94 | 170 | ||
4 | T2 | 1372 | 1306 | 0.952 | 94 | 171 | ||
SiH4 | Silane | 1 | A1 | 2215 | 2187 | 0.987 | 95 | 172 |
2 | E | 968 | 975 | 1.008 | 95 | 173 | ||
3 | T2 | 2221 | 2191 | 0.986 | 95 | 174 | ||
4 | T2 | 919 | 914 | 0.994 | 95 | 175 | ||
CH2NH | Methanimine | 1 | A' | 3419 | 3263 | 0.954 | 96 | 176 |
2 | A' | 3141 | 3024 | 0.963 | 96 | 177 | ||
3 | A' | 3029 | 2914 | 0.962 | 96 | 178 | ||
4 | A' | 1675 | 1638 | 0.978 | 96 | 179 | ||
5 | A' | 1489 | 1452 | 0.975 | 96 | 180 | ||
6 | A' | 1414 | 1344 | 0.951 | 96 | 181 | ||
7 | A' | 1092 | 1058 | 0.969 | 96 | 182 | ||
8 | A" | 1170 | 1127 | 0.963 | 96 | 183 | ||
9 | A" | 1065 | 1061 | 0.996 | 96 | 184 | ||
CH3F | Methyl fluoride | 1 | A1 | 3030 | 2930 | 0.967 | 97 | 185 |
2 | A1 | 1523 | 1464 | 0.961 | 97 | 186 | ||
3 | A1 | 1083 | 1049 | 0.968 | 97 | 187 | ||
4 | E | 3120 | 3006 | 0.963 | 97 | 188 | ||
5 | E | 1521 | 1467 | 0.964 | 97 | 189 | ||
6 | E | 1213 | 1182 | 0.975 | 97 | 190 | ||
SiH3F | monofluorosilane | 1 | A1 | 2245 | 2206 | 0.983 | 98 | 191 |
2 | A1 | 1028 | 990 | 0.963 | 98 | 192 | ||
3 | A1 | 872 | 872 | 1.000 | 98 | 193 | ||
4 | E | 2250 | 2196 | 0.976 | 98 | 194 | ||
6 | E | 961 | 956 | 0.994 | 98 | 195 | ||
8 | E | 747 | 728 | 0.975 | 98 | 196 | ||
CH3Cl | Methyl chloride | 1 | A1 | 3067 | 2966 | 0.967 | 99 | 197 |
2 | A1 | 1432 | 1355 | 0.946 | 99 | 198 | ||
3 | A1 | 746 | 732 | 0.981 | 99 | 199 | ||
4 | E | 3168 | 3042 | 0.960 | 99 | 200 | ||
5 | E | 1501 | 1455 | 0.969 | 99 | 201 | ||
6 | E | 1059 | 1015 | 0.958 | 99 | 202 | ||
SiH3Cl | chlorosilane | 1 | A1 | 2241 | 2201 | 0.982 | 100 | 203 |
2 | A1 | 967 | 949 | 0.982 | 100 | 204 | ||
3 | A1 | 546 | 551 | 1.008 | 100 | 205 | ||
4 | E | 2254 | 2195 | 0.974 | 100 | 206 | ||
5 | E | 955 | 954 | 0.999 | 100 | 207 | ||
6 | E | 679 | 664 | 0.978 | 100 | 208 | ||
C2H4 | Ethylene | 1 | Ag | 3136 | 3026 | 0.965 | 101 | 209 |
2 | Ag | 1668 | 1623 | 0.973 | 101 | 210 | ||
3 | Ag | 1366 | 1342 | 0.983 | 101 | 211 | ||
4 | Au | 1035 | 1023 | 0.988 | 101 | 212 | ||
5 | B1u | 3119 | 2989 | 0.958 | 101 | 213 | ||
6 | B1u | 1478 | 1444 | 0.976 | 101 | 214 | ||
7 | B2g | 887 | 940 | 1.060 | 101 | 215 | ||
8 | B2u | 3225 | 3105 | 0.963 | 101 | 216 | ||
9 | B2u | 832 | 826 | 0.993 | 101 | 217 | ||
10 | B3g | 3199 | 3086 | 0.965 | 101 | 218 | ||
11 | B3g | 1241 | 1217 | 0.981 | 101 | 219 | ||
12 | B3u | 944 | 949 | 1.006 | 101 | 220 | ||
N2H4 | Hydrazine | 1 | A | 3575 | 3398 | 0.951 | 102 | 221 |
2 | A | 3468 | 3329 | 0.960 | 102 | 222 | ||
3 | A | 1764 | 1642 | 0.931 | 102 | 223 | ||
4 | A | 1388 | 1275 | 0.918 | 102 | 224 | ||
5 | A | 1158 | 1076 | 0.929 | 102 | 225 | ||
6 | A | 905 | 780 | 0.862 | 102 | 226 | ||
7 | A | 438 | 377 | 0.859 | 102 | 227 | ||
8 | B | 3581 | 3350 | 0.936 | 102 | 228 | ||
9 | B | 3454 | 3314 | 0.959 | 102 | 229 | ||
10 | B | 1747 | 1628 | 0.932 | 102 | 230 | ||
11 | B | 1342 | 1275 | 0.950 | 102 | 231 | ||
12 | B | 1090 | 966 | 0.886 | 102 | 232 | ||
CH3OH | Methyl alcohol | 1 | A' | 3821 | 3681 | 0.963 | 103 | 233 |
2 | A' | 3124 | 3000 | 0.960 | 103 | 234 | ||
3 | A' | 2986 | 2844 | 0.952 | 103 | 235 | ||
4 | A' | 1534 | 1477 | 0.963 | 103 | 236 | ||
5 | A' | 1510 | 1455 | 0.964 | 103 | 237 | ||
6 | A' | 1418 | 1345 | 0.949 | 103 | 238 | ||
7 | A' | 1094 | 1060 | 0.969 | 103 | 239 | ||
8 | A' | 1080 | 1033 | 0.957 | 103 | 240 | ||
9 | A" | 3040 | 2960 | 0.974 | 103 | 241 | ||
10 | A" | 1520 | 1477 | 0.972 | 103 | 242 | ||
11 | A" | 1183 | 1165 | 0.985 | 103 | 243 | ||
12 | A" | 361 | 200 | 0.555 | 103 | 244 | ||
CH3SH | Methanethiol | 1 | A' | 3136 | 3000 | 0.957 | 104 | 245 |
2 | A' | 3046 | 2931 | 0.962 | 104 | 246 | ||
3 | A' | 2590 | 2597 | 1.003 | 104 | 247 | ||
4 | A' | 1508 | 1475 | 0.978 | 104 | 248 | ||
5 | A' | 1414 | 1335 | 0.944 | 104 | 249 | ||
6 | A' | 1122 | 1074 | 0.957 | 104 | 250 | ||
7 | A' | 811 | 803 | 0.991 | 104 | 251 | ||
8 | A' | 726 | 708 | 0.975 | 104 | 252 | ||
9 | A" | 3134 | 3000 | 0.957 | 104 | 253 | ||
10 | A" | 1497 | 1430 | 0.955 | 104 | 254 | ||
11 | A" | 1007 | 976 | 0.969 | 104 | 255 | ||
CH3NH2 | methyl amine | 1 | A' | 3491 | 3361 | 0.963 | 105 | 256 |
2 | A' | 3066 | 2961 | 0.966 | 105 | 257 | ||
3 | A' | 2971 | 2820 | 0.949 | 105 | 258 | ||
4 | A' | 1741 | 1623 | 0.932 | 105 | 259 | ||
5 | A' | 1520 | 1473 | 0.969 | 105 | 260 | ||
6 | A' | 1482 | 1430 | 0.965 | 105 | 261 | ||
7 | A' | 1207 | 1130 | 0.937 | 105 | 262 | ||
8 | A' | 1072 | 1044 | 0.974 | 105 | 263 | ||
9 | A' | 919 | 780 | 0.849 | 105 | 264 | ||
10 | A" | 3574 | 3427 | 0.959 | 105 | 265 | ||
11 | A" | 3105 | 2985 | 0.961 | 105 | 266 | ||
12 | A" | 1539 | 1485 | 0.965 | 105 | 267 | ||
13 | A" | 1385 | 1335 | 0.964 | 105 | 268 | ||
14 | A" | 986 | 105 | 269 | ||||
15 | A" | 333 | 268 | 0.805 | 105 | 270 | ||
C2H6 | Ethane | 1 | A1g | 3024 | 2954 | 0.977 | 106 | 271 |
2 | A1g | 1452 | 1388 | 0.956 | 106 | 272 | ||
3 | A1g | 1019 | 995 | 0.976 | 106 | 273 | ||
4 | A1u | 316 | 289 | 0.916 | 106 | 274 | ||
5 | A2u | 3021 | 2896 | 0.959 | 106 | 275 | ||
6 | A2u | 1430 | 1379 | 0.964 | 106 | 276 | ||
7 | Eg | 3082 | 2969 | 0.963 | 106 | 277 | ||
8 | Eg | 1525 | 1468 | 0.963 | 106 | 278 | ||
9 | Eg | 1237 | 1190 | 0.962 | 106 | 279 | ||
10 | Eu | 3104 | 2985 | 0.962 | 106 | 280 | ||
11 | Eu | 1529 | 1469 | 0.961 | 106 | 281 | ||
12 | Eu | 825 | 822 | 0.996 | 106 | 282 | ||
CH3SiH3 | methyl silane | 1 | A1 | 3021 | 2898 | 0.959 | 107 | 283 |
2 | A1 | 2201 | 2166 | 0.984 | 107 | 284 | ||
3 | A1 | 1345 | 1260 | 0.937 | 107 | 285 | ||
4 | A1 | 946 | 940 | 0.993 | 107 | 286 | ||
5 | A1 | 708 | 700 | 0.989 | 107 | 287 | ||
6 | A2 | 182 | 187 | 1.030 | 107 | 288 | ||
7 | E | 3101 | 2982 | 0.962 | 107 | 289 | ||
8 | E | 2201 | 2169 | 0.986 | 107 | 290 | ||
9 | E | 1492 | 1403 | 0.940 | 107 | 291 | ||
10 | E | 957 | 980 | 1.024 | 107 | 292 | ||
11 | E | 909 | 868 | 0.955 | 107 | 293 | ||
12 | E | 524 | 540 | 1.030 | 107 | 294 | ||
Si2H6 | disilane | 1 | A1g | 2194 | 2152 | 0.981 | 108 | 295 |
2 | A1g | 934 | 909 | 0.973 | 108 | 296 | ||
3 | A1g | 441 | 434 | 0.984 | 108 | 297 | ||
4 | A1u | 145 | 131 | 0.901 | 108 | 298 | ||
5 | A2u | 2185 | 2154 | 0.986 | 108 | 299 | ||
6 | A2u | 859 | 844 | 0.982 | 108 | 300 | ||
7 | Eg | 2194 | 2155 | 0.982 | 108 | 301 | ||
8 | Eg | 935 | 929 | 0.994 | 108 | 302 | ||
9 | Eg | 647 | 625 | 0.966 | 108 | 303 | ||
10 | Eu | 2202 | 2179 | 0.989 | 108 | 304 | ||
11 | Eu | 950 | 940 | 0.989 | 108 | 305 | ||
12 | Eu | 389 | 379 | 0.974 | 108 | 306 |
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140 | |||||||||||||||||||||||||||||||||||||||||||
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0 | |||||||||||||||||||||||||||||||||||||||||||
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 |