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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 | ||
0.969 ± 0.021 | 115 | 344 | cccbdb |
Formula | Name | Mode | Symmetry | Frequency | Count | |||
---|---|---|---|---|---|---|---|---|
Theory | Experiment | ratio | molecules | vibrations | ||||
H2 | Hydrogen diatomic | 1 | Σg | 4420 | 4161 | 0.941 | 1 | 1 |
LiH | Lithium Hydride | 1 | Σ | 1420 | 1360 | 0.958 | 2 | 2 |
Li2 | Lithium diatomic | 1 | Σg | 342 | 346 | 1.012 | 3 | 3 |
NaH | sodium hydride | 1 | Σ | 1181 | 1133 | 0.960 | 4 | 4 |
Na2 | Sodium diatomic | 1 | Σg | 162 | 158 | 0.970 | 5 | 5 |
BeH | beryllium monohydride | 1 | Σ | 2063 | 1987 | 0.963 | 6 | 6 |
MgH | magnesium monohydride | 1 | Σ | 1463 | 1432 | 0.979 | 7 | 7 |
BH | Boron monohydride | 1 | Σ | 2354 | 2269 | 0.964 | 8 | 8 |
AlH | aluminum monohydride | 1 | Σ | 1644 | 1625 | 0.988 | 9 | 9 |
CH | Methylidyne | 1 | Σ | 2831 | 2733 | 0.965 | 10 | 10 |
1 | Σ | 3047 | 10 | 11 | ||||
C2 | Carbon diatomic | 1 | Σg | 1874 | 1827 | 0.975 | 11 | 12 |
SiH | Silylidyne | 1 | Σ | 2013 | 1971 | 0.979 | 12 | 13 |
NH | Imidogen | 1 | Σ | 3262 | 3126 | 0.958 | 13 | 14 |
CN | Cyano radical | 1 | Σ | 2153 | 2042 | 0.949 | 14 | 15 |
N2 | Nitrogen diatomic | 1 | Σg | 2448 | 2330 | 0.952 | 15 | 16 |
1 | Σg | 1815 | 1733 | 0.955 | 15 | 17 | ||
PH | phosphorus monohydride | 1 | Σ | 2343 | 2276 | 0.972 | 16 | 18 |
1 | Σ | 2356 | 2319 | 0.984 | 16 | 19 | ||
PN | Phosphorus mononitride | 1 | Σ | 1405 | 1323 | 0.942 | 17 | 20 |
P2 | Phosphorus diatomic | 1 | Σg | 808 | 775 | 0.960 | 18 | 21 |
OH | Hydroxyl radical | 1 | Σ | 3703 | 3570 | 0.964 | 19 | 22 |
LiO | lithium oxide | 1 | Σ | 814 | 799 | 0.982 | 20 | 23 |
BeO | beryllium oxide | 1 | Σ | 1550 | 1435 | 0.925 | 21 | 24 |
BO | boron monoxide | 1 | Σ | 1919 | 1862 | 0.970 | 22 | 25 |
CO | Carbon monoxide | 1 | Σ | 2212 | 2143 | 0.969 | 23 | 26 |
1 | Σ | 1785 | 23 | 27 | ||||
NaO | sodium monoxide | 1 | Σ | 481 | 24 | 28 | ||
MgO | magnesium oxide | 1 | Σ | 821 | 775 | 0.944 | 25 | 29 |
SiO | Silicon monoxide | 1 | Σ | 1256 | 1230 | 0.979 | 26 | 30 |
HS | Mercapto radical | 1 | Σ | 2666 | 2599 | 0.975 | 27 | 31 |
BeS | beryllium sulfide | 1 | Σ | 1011 | 986 | 0.974 | 28 | 32 |
BS | boron sulfide | 1 | Σ | 1180 | 1167 | 0.989 | 29 | 33 |
CS | carbon monosulfide | 1 | Σ | 1306 | 1272 | 0.974 | 30 | 34 |
SO | Sulfur monoxide | 1 | Σ | 1151 | 1138 | 0.988 | 31 | 35 |
1 | Σ | 1151 | 1054 | 0.916 | 31 | 36 | ||
MgS | magnesium sulfide | 1 | Σ | 526 | 523 | 0.995 | 32 | 37 |
AlS | Aluminum sulfide | 1 | Σ | 594 | 610 | 1.027 | 33 | 38 |
SiS | silicon monosulfide | 1 | Σ | 744 | 744 | 1.001 | 34 | 39 |
S2 | Sulfur diatomic | 1 | Σg | 713 | 720 | 1.009 | 35 | 40 |
HF | Hydrogen fluoride | 1 | Σ | 4077 | 3961 | 0.972 | 36 | 41 |
LiF | lithium fluoride | 1 | Σ | 905 | 896 | 0.990 | 37 | 42 |
BeF | Beryllium monofluoride | 1 | Σ | 1255 | 38 | 43 | ||
CF | Fluoromethylidyne | 1 | Σ | 1293 | 1286 | 0.995 | 39 | 44 |
NF | nitrogen fluoride | 1 | Σ | 1150 | 1123 | 0.977 | 40 | 45 |
F2 | Fluorine diatomic | 1 | Σg | 1045 | 894 | 0.855 | 41 | 46 |
NaF | sodium fluoride | 1 | Σ | 525 | 529 | 1.008 | 42 | 47 |
AlF | Aluminum monofluoride | 1 | Σ | 771 | 793 | 1.028 | 43 | 48 |
SiF | silicon monofluoride | 1 | Σ | 824 | 848 | 1.029 | 44 | 49 |
SF | Monosulfur monofluoride | 1 | Σ | 820 | 829 | 1.010 | 45 | 50 |
HCl | Hydrogen chloride | 1 | Σ | 2938 | 2886 | 0.982 | 46 | 51 |
LiCl | lithium chloride | 1 | Σ | 640 | 634 | 0.990 | 47 | 52 |
BeCl | beryllium monochloride | 1 | Σ | 832 | 847 | 1.018 | 48 | 53 |
BCl | boron monochloride | 1 | Σ | 819 | 829 | 1.013 | 49 | 54 |
CCl | carbon monochloride | 1 | Σ | 853 | 866 | 1.016 | 50 | 55 |
ClO | Monochlorine monoxide | 1 | Σ | 857 | 843 | 0.983 | 51 | 56 |
ClF | Chlorine monofluoride | 1 | Σ | 786 | 773 | 0.983 | 52 | 57 |
NaCl | Sodium Chloride | 1 | Σ | 358 | 361 | 1.010 | 53 | 58 |
AlCl | Aluminum monochloride | 1 | Σ | 454 | 478 | 1.052 | 54 | 59 |
SiCl | Clorosilylidyne | 1 | Σ | 507 | 531 | 1.047 | 55 | 60 |
SCl | sulfur monochloride | 1 | Σ | 559 | 577 | 1.031 | 56 | 61 |
Cl2 | Chlorine diatomic | 1 | Σg | 539 | 554 | 1.028 | 57 | 62 |
BeH2 | beryllium dihydride | 2 | Σu | 2260 | 2159 | 0.955 | 58 | 63 |
3 | Πu | 727 | 698 | 0.960 | 58 | 64 | ||
MgH2 | magnesium dihydride | 2 | Σu | 1633 | 1572 | 0.962 | 59 | 65 |
3 | Πu | 444 | 440 | 0.991 | 59 | 66 | ||
BH2 | boron dihydride | 2 | A1 | 986 | 954 | 0.967 | 60 | 67 |
AlH2 | aluminum dihydride | 1 | A1 | 1823 | 1770 | 0.971 | 61 | 68 |
2 | A1 | 772 | 760 | 0.985 | 61 | 69 | ||
3 | B2 | 1864 | 1807 | 0.969 | 61 | 70 | ||
SiH2 | silicon dihydride | 1 | A1 | 2042 | 1996 | 0.977 | 62 | 71 |
2 | A1 | 1022 | 999 | 0.977 | 62 | 72 | ||
3 | B2 | 2041 | 1993 | 0.976 | 62 | 73 | ||
NH2 | Amino radical | 1 | A1 | 3356 | 3219 | 0.959 | 63 | 74 |
2 | A1 | 1530 | 1497 | 0.978 | 63 | 75 | ||
3 | B2 | 3446 | 3301 | 0.958 | 63 | 76 | ||
HCN | Hydrogen cyanide | 1 | Σ | 3439 | 3312 | 0.963 | 64 | 77 |
2 | Σ | 2201 | 2089 | 0.949 | 64 | 78 | ||
3 | Π | 758 | 712 | 0.939 | 64 | 79 | ||
HNC | hydrogen isocyanide | 1 | Σ | 3800 | 3653 | 0.961 | 65 | 80 |
2 | Σ | 2104 | 2029 | 0.964 | 65 | 81 | ||
3 | Π | 468 | 477 | 1.019 | 65 | 82 | ||
HCP | Phosphaethyne | 1 | Σ | 3348 | 3217 | 0.961 | 66 | 83 |
2 | Σ | 1342 | 1278 | 0.952 | 66 | 84 | ||
3 | Π | 721 | 674 | 0.936 | 66 | 85 | ||
HPO | Hydrogen phosphorus oxide | 1 | A' | 2090 | 2095 | 1.003 | 67 | 86 |
2 | A' | 1220 | 1188 | 0.974 | 67 | 87 | ||
3 | A' | 1002 | 986 | 0.984 | 67 | 88 | ||
H2O | Water | 1 | A1 | 3804 | 3657 | 0.961 | 68 | 89 |
2 | A1 | 1630 | 1595 | 0.979 | 68 | 90 | ||
3 | B2 | 3905 | 3756 | 0.962 | 68 | 91 | ||
LiOH | lithium hydroxide | 1 | Σ | 4000 | 3688 | 0.922 | 69 | 92 |
2 | Σ | 952 | 871 | 0.914 | 69 | 93 | ||
3 | Π | 341 | 257 | 0.752 | 69 | 94 | ||
BeOH | beryllium monohydroxide | 2 | A' | 1281 | 1246 | 0.972 | 70 | 95 |
HBO | Boron hydride oxide | 1 | Σ | 2892 | 2850 | 0.986 | 71 | 96 |
2 | Σ | 1867 | 1826 | 0.978 | 71 | 97 | ||
3 | Π | 775 | 756 | 0.975 | 71 | 98 | ||
HCO | Formyl radical | 1 | A' | 2652 | 2434 | 0.918 | 72 | 99 |
2 | A' | 1934 | 1868 | 0.966 | 72 | 100 | ||
3 | A' | 1104 | 1081 | 0.979 | 72 | 101 | ||
HNO | Nitrosyl hydride | 1 | A' | 2861 | 2684 | 0.938 | 73 | 102 |
2 | A' | 1667 | 1565 | 0.939 | 73 | 103 | ||
3 | A' | 1561 | 1501 | 0.961 | 73 | 104 | ||
HO2 | Hydroperoxy radical | 1 | A' | 3595 | 3436 | 0.956 | 74 | 105 |
2 | A' | 1435 | 1392 | 0.970 | 74 | 106 | ||
3 | A' | 1166 | 1098 | 0.942 | 74 | 107 | ||
NaOH | sodium hydroxide | 1 | Σ | 3951 | 3637 | 0.921 | 75 | 108 |
2 | Σ | 558 | 540 | 0.968 | 75 | 109 | ||
3 | Π | 172 | 300 | 1.747 | 75 | 110 | ||
H2S | Hydrogen sulfide | 1 | A1 | 2680 | 2615 | 0.976 | 76 | 111 |
2 | A1 | 1209 | 1183 | 0.979 | 76 | 112 | ||
3 | B2 | 2693 | 2626 | 0.975 | 76 | 113 | ||
HBS | hydrogen boron sulfide | 1 | Σ | 2838 | 2736 | 0.964 | 77 | 114 |
2 | Σ | 1187 | 1172 | 0.987 | 77 | 115 | ||
HCF | Fluoromethylene | 1 | A' | 2762 | 2643 | 0.957 | 78 | 116 |
2 | A' | 1438 | 1403 | 0.976 | 78 | 117 | ||
3 | A' | 1198 | 1189 | 0.993 | 78 | 118 | ||
HOF | Hypofluorous acid | 1 | A' | 3727 | 3578 | 0.960 | 79 | 119 |
2 | A' | 1409 | 1362 | 0.967 | 79 | 120 | ||
3 | A' | 982 | 893 | 0.909 | 79 | 121 | ||
HOCl | hypochlorous acid | 1 | A' | 3769 | 3609 | 0.958 | 80 | 122 |
2 | A' | 1262 | 1239 | 0.982 | 80 | 123 | ||
3 | A' | 741 | 724 | 0.978 | 80 | 124 | ||
BH3 | boron trihydride | 2 | A2" | 1161 | 1148 | 0.989 | 81 | 125 |
3 | E' | 2690 | 2602 | 0.967 | 81 | 126 | ||
4 | E' | 1206 | 1197 | 0.992 | 81 | 127 | ||
AlH3 | aluminum trihydride | 1 | A1' | 1943 | 1900 | 0.978 | 82 | 128 |
2 | A2" | 712 | 698 | 0.980 | 82 | 129 | ||
3 | E' | 1949 | 1883 | 0.966 | 82 | 130 | ||
4 | E' | 799 | 783 | 0.981 | 82 | 131 | ||
C2H2 | Acetylene | 1 | Σg | 3511 | 3374 | 0.961 | 83 | 132 |
2 | Σg | 2067 | 1974 | 0.955 | 83 | 133 | ||
3 | Σu | 3412 | 3289 | 0.964 | 83 | 134 | ||
4 | Πg | 670 | 612 | 0.913 | 83 | 135 | ||
5 | Πu | 765 | 730 | 0.954 | 83 | 136 | ||
SiH3 | Silyl radical | 1 | A1 | 2198 | 2136 | 0.972 | 84 | 137 |
2 | A1 | 765 | 728 | 0.951 | 84 | 138 | ||
3 | E | 2235 | 2185 | 0.978 | 84 | 139 | ||
4 | E | 937 | 922 | 0.984 | 84 | 140 | ||
NH3 | Ammonia | 1 | A1 | 3470 | 3337 | 0.962 | 85 | 141 |
2 | A1 | 1023 | 950 | 0.928 | 85 | 142 | ||
3 | E | 3590 | 3444 | 0.959 | 85 | 143 | ||
4 | E | 1664 | 1627 | 0.978 | 85 | 144 | ||
PH3 | Phosphine | 1 | A1 | 2387 | 2323 | 0.973 | 86 | 145 |
2 | A1 | 1017 | 992 | 0.975 | 86 | 146 | ||
3 | E | 2393 | 2328 | 0.973 | 86 | 147 | ||
4 | E | 1139 | 1118 | 0.982 | 86 | 148 | ||
H2CO | Formaldehyde | 1 | A1 | 2881 | 2782 | 0.966 | 87 | 149 |
2 | A1 | 1817 | 1746 | 0.961 | 87 | 150 | ||
3 | A1 | 1533 | 1500 | 0.979 | 87 | 151 | ||
4 | B1 | 1201 | 1167 | 0.972 | 87 | 152 | ||
5 | B2 | 2936 | 2843 | 0.968 | 87 | 153 | ||
6 | B2 | 1267 | 1249 | 0.986 | 87 | 154 | ||
H2O2 | Hydrogen peroxide | 1 | A | 3763 | 3599 | 0.956 | 88 | 155 |
2 | A | 1438 | 1402 | 0.975 | 88 | 156 | ||
3 | A | 949 | 877 | 0.924 | 88 | 157 | ||
4 | A | 375 | 371 | 0.988 | 88 | 158 | ||
5 | B | 3762 | 3608 | 0.959 | 88 | 159 | ||
6 | B | 1326 | 1266 | 0.955 | 88 | 160 | ||
H2CS | Thioformaldehyde | 1 | A1 | 3060 | 2971 | 0.971 | 89 | 161 |
2 | A1 | 1495 | 1456 | 0.973 | 89 | 162 | ||
3 | A1 | 1087 | 1059 | 0.974 | 89 | 163 | ||
4 | B1 | 1031 | 990 | 0.960 | 89 | 164 | ||
5 | B2 | 3140 | 3025 | 0.963 | 89 | 165 | ||
6 | B2 | 1005 | 991 | 0.986 | 89 | 166 | ||
H2S2 | Disulfane | 1 | A | 2620 | 2556 | 0.976 | 90 | 167 |
2 | A | 889 | 882 | 0.993 | 90 | 168 | ||
3 | A | 500 | 515 | 1.029 | 90 | 169 | ||
4 | A | 428 | 417 | 0.976 | 90 | 170 | ||
5 | B | 2622 | 2559 | 0.976 | 90 | 171 | ||
6 | B | 889 | 878 | 0.987 | 90 | 172 | ||
CH4 | Methane | 1 | A1 | 3027 | 2917 | 0.964 | 91 | 173 |
2 | E | 1559 | 1534 | 0.984 | 91 | 174 | ||
3 | T2 | 3129 | 3019 | 0.965 | 91 | 175 | ||
4 | T2 | 1341 | 1306 | 0.974 | 91 | 176 | ||
SiH4 | Silane | 1 | A1 | 2241 | 2187 | 0.976 | 92 | 177 |
2 | E | 979 | 975 | 0.996 | 92 | 178 | ||
3 | T2 | 2243 | 2191 | 0.977 | 92 | 179 | ||
4 | T2 | 922 | 914 | 0.991 | 92 | 180 | ||
CH2NH | Methanimine | 1 | A' | 3432 | 3263 | 0.951 | 93 | 181 |
2 | A' | 3108 | 3024 | 0.973 | 93 | 182 | ||
3 | A' | 3013 | 2914 | 0.967 | 93 | 183 | ||
4 | A' | 1710 | 1638 | 0.958 | 93 | 184 | ||
5 | A' | 1492 | 1452 | 0.973 | 93 | 185 | ||
6 | A' | 1368 | 1344 | 0.983 | 93 | 186 | ||
7 | A' | 1074 | 1058 | 0.986 | 93 | 187 | ||
8 | A" | 1163 | 1127 | 0.969 | 93 | 188 | ||
9 | A" | 1103 | 1061 | 0.962 | 93 | 189 | ||
NH2OH | hydroxylamine | 1 | A' | 3814 | 3650 | 0.957 | 94 | 190 |
2 | A' | 3442 | 3294 | 0.957 | 94 | 191 | ||
3 | A' | 1665 | 1605 | 0.964 | 94 | 192 | ||
4 | A' | 1394 | 1353 | 0.971 | 94 | 193 | ||
5 | A' | 1141 | 1115 | 0.977 | 94 | 194 | ||
6 | A' | 929 | 895 | 0.964 | 94 | 195 | ||
7 | A" | 3519 | 3359 | 0.954 | 94 | 196 | ||
8 | A" | 1328 | 1295 | 0.975 | 94 | 197 | ||
9 | A" | 415 | 386 | 0.931 | 94 | 198 | ||
CH3F | Methyl fluoride | 1 | A1 | 3030 | 2930 | 0.967 | 95 | 199 |
2 | A1 | 1484 | 1464 | 0.986 | 95 | 200 | ||
3 | A1 | 1042 | 1049 | 1.006 | 95 | 201 | ||
4 | E | 3110 | 3006 | 0.966 | 95 | 202 | ||
5 | E | 1495 | 1467 | 0.981 | 95 | 203 | ||
6 | E | 1194 | 1182 | 0.990 | 95 | 204 | ||
SiH3F | monofluorosilane | 1 | A1 | 2256 | 2206 | 0.978 | 96 | 205 |
2 | A1 | 992 | 990 | 0.998 | 96 | 206 | ||
3 | A1 | 858 | 872 | 1.017 | 96 | 207 | ||
4 | E | 2259 | 2196 | 0.972 | 96 | 208 | ||
5 | E | 967 | 956 | 0.989 | 96 | 209 | ||
6 | E | 724 | 728 | 1.005 | 96 | 210 | ||
CH3Cl | Methyl chloride | 1 | A1 | 3070 | 2966 | 0.966 | 97 | 211 |
2 | A1 | 1379 | 1355 | 0.982 | 97 | 212 | ||
3 | A1 | 712 | 732 | 1.028 | 97 | 213 | ||
4 | E | 3165 | 3042 | 0.961 | 97 | 214 | ||
5 | E | 1484 | 1455 | 0.980 | 97 | 215 | ||
6 | E | 1027 | 1015 | 0.988 | 97 | 216 | ||
SiH3Cl | chlorosilane | 1 | A1 | 2256 | 2201 | 0.976 | 98 | 217 |
2 | A1 | 953 | 949 | 0.996 | 98 | 218 | ||
3 | A1 | 530 | 551 | 1.039 | 98 | 219 | ||
4 | E | 2265 | 2195 | 0.969 | 98 | 220 | ||
5 | E | 959 | 954 | 0.995 | 98 | 221 | ||
6 | E | 660 | 664 | 1.007 | 98 | 222 | ||
C2H4 | Ethylene | 1 | Ag | 3138 | 3026 | 0.964 | 99 | 223 |
2 | Ag | 1688 | 1623 | 0.961 | 99 | 224 | ||
3 | Ag | 1381 | 1342 | 0.972 | 99 | 225 | ||
4 | Au | 1064 | 1023 | 0.961 | 99 | 226 | ||
5 | B1u | 3125 | 2989 | 0.956 | 99 | 227 | ||
6 | B1u | 1480 | 1444 | 0.975 | 99 | 228 | ||
7 | B2g | 987 | 940 | 0.952 | 99 | 229 | ||
8 | B2u | 3222 | 3105 | 0.964 | 99 | 230 | ||
9 | B2u | 836 | 826 | 0.988 | 99 | 231 | ||
10 | B3g | 3194 | 3086 | 0.966 | 99 | 232 | ||
11 | B3g | 1248 | 1217 | 0.975 | 99 | 233 | ||
12 | B3u | 980 | 949 | 0.969 | 99 | 234 | ||
N2H4 | Hydrazine | 1 | A | 3555 | 3398 | 0.956 | 100 | 235 |
2 | A | 3462 | 3329 | 0.962 | 100 | 236 | ||
3 | A | 1686 | 1642 | 0.974 | 100 | 237 | ||
4 | A | 1325 | 1275 | 0.963 | 100 | 238 | ||
5 | A | 1112 | 1076 | 0.968 | 100 | 239 | ||
6 | A | 800 | 780 | 0.975 | 100 | 240 | ||
7 | A | 442 | 377 | 0.852 | 100 | 241 | ||
8 | B | 3561 | 3350 | 0.941 | 100 | 242 | ||
9 | B | 3454 | 3314 | 0.959 | 100 | 243 | ||
10 | B | 1674 | 1628 | 0.973 | 100 | 244 | ||
11 | B | 1296 | 1275 | 0.984 | 100 | 245 | ||
12 | B | 971 | 966 | 0.995 | 100 | 246 | ||
CH3OH | Methyl alcohol | 1 | A' | 3837 | 3681 | 0.959 | 101 | 247 |
2 | A' | 3109 | 3000 | 0.965 | 101 | 248 | ||
3 | A' | 2993 | 2844 | 0.950 | 101 | 249 | ||
4 | A' | 1510 | 1477 | 0.978 | 101 | 250 | ||
5 | A' | 1480 | 1455 | 0.983 | 101 | 251 | ||
6 | A' | 1367 | 1345 | 0.984 | 101 | 252 | ||
7 | A' | 1078 | 1060 | 0.984 | 101 | 253 | ||
8 | A' | 1041 | 1033 | 0.993 | 101 | 254 | ||
9 | A" | 3039 | 2960 | 0.974 | 101 | 255 | ||
10 | A" | 1499 | 1477 | 0.985 | 101 | 256 | ||
11 | A" | 1173 | 1165 | 0.993 | 101 | 257 | ||
12 | A" | 289 | 200 | 0.692 | 101 | 258 | ||
CH3SH | Methanethiol | 1 | A' | 3133 | 3000 | 0.958 | 102 | 259 |
2 | A' | 3051 | 2931 | 0.961 | 102 | 260 | ||
3 | A' | 2670 | 2597 | 0.973 | 102 | 261 | ||
4 | A' | 1490 | 1475 | 0.990 | 102 | 262 | ||
5 | A' | 1359 | 1335 | 0.982 | 102 | 263 | ||
6 | A' | 1097 | 1074 | 0.979 | 102 | 264 | ||
7 | A' | 798 | 803 | 1.006 | 102 | 265 | ||
8 | A' | 698 | 708 | 1.015 | 102 | 266 | ||
9 | A" | 3133 | 3000 | 0.958 | 102 | 267 | ||
10 | A" | 1477 | 1430 | 0.968 | 102 | 268 | ||
11 | A" | 974 | 976 | 1.002 | 102 | 269 | ||
CH3NH2 | methyl amine | 1 | A' | 3502 | 3361 | 0.960 | 103 | 270 |
2 | A' | 3055 | 2961 | 0.969 | 103 | 271 | ||
3 | A' | 2966 | 2820 | 0.951 | 103 | 272 | ||
4 | A' | 1661 | 1623 | 0.977 | 103 | 273 | ||
5 | A' | 1500 | 1473 | 0.982 | 103 | 274 | ||
6 | A' | 1461 | 1430 | 0.979 | 103 | 275 | ||
7 | A' | 1168 | 1130 | 0.967 | 103 | 276 | ||
8 | A' | 1055 | 1044 | 0.990 | 103 | 277 | ||
9 | A' | 817 | 780 | 0.954 | 103 | 278 | ||
10 | A" | 3577 | 3427 | 0.958 | 103 | 279 | ||
11 | A" | 3090 | 2985 | 0.966 | 103 | 280 | ||
12 | A" | 1519 | 1485 | 0.978 | 103 | 281 | ||
13 | A" | 1345 | 1335 | 0.993 | 103 | 282 | ||
14 | A" | 973 | 103 | 283 | ||||
15 | A" | 291 | 268 | 0.921 | 103 | 284 | ||
B2H6 | Diborane | 1 | Ag | 2620 | 2530 | 0.966 | 104 | 285 |
2 | Ag | 2178 | 2088 | 0.959 | 104 | 286 | ||
3 | Ag | 1207 | 1183 | 0.980 | 104 | 287 | ||
4 | Ag | 800 | 790 | 0.987 | 104 | 288 | ||
5 | Au | 851 | 833 | 0.979 | 104 | 289 | ||
6 | B1g | 2693 | 2596 | 0.964 | 104 | 290 | ||
7 | B1g | 940 | 915 | 0.973 | 104 | 291 | ||
8 | B1u | 1995 | 1930 | 0.967 | 104 | 292 | ||
9 | B1u | 992 | 973 | 0.980 | 104 | 293 | ||
10 | B2g | 1858 | 1760 | 0.947 | 104 | 294 | ||
11 | B2g | 895 | 860 | 0.961 | 104 | 295 | ||
12 | B2u | 2707 | 2609 | 0.964 | 104 | 296 | ||
13 | B2u | 954 | 949 | 0.995 | 104 | 297 | ||
14 | B2u | 362 | 369 | 1.017 | 104 | 298 | ||
15 | B3g | 1022 | 1020 | 0.998 | 104 | 299 | ||
16 | B3u | 2607 | 2520 | 0.967 | 104 | 300 | ||
17 | B3u | 1716 | 1603 | 0.934 | 104 | 301 | ||
18 | B3u | 1199 | 1172 | 0.978 | 104 | 302 | ||
C2H6 | Ethane | 1 | A1g | 3025 | 2954 | 0.977 | 105 | 303 |
2 | A1g | 1423 | 1388 | 0.976 | 105 | 304 | ||
3 | A1g | 995 | 995 | 1.000 | 105 | 305 | ||
4 | A1u | 303 | 289 | 0.953 | 105 | 306 | ||
5 | A2u | 3026 | 2896 | 0.957 | 105 | 307 | ||
6 | A2u | 1414 | 1379 | 0.976 | 105 | 308 | ||
7 | Eg | 3069 | 2969 | 0.967 | 105 | 309 | ||
8 | Eg | 1503 | 1468 | 0.976 | 105 | 310 | ||
9 | Eg | 1223 | 1190 | 0.973 | 105 | 311 | ||
10 | Eu | 3094 | 2985 | 0.965 | 105 | 312 | ||
11 | Eu | 1507 | 1469 | 0.975 | 105 | 313 | ||
12 | Eu | 827 | 822 | 0.994 | 105 | 314 | ||
Si2H6 | disilane | 1 | A1g | 2220 | 2152 | 0.969 | 106 | 315 |
2 | A1g | 928 | 909 | 0.980 | 106 | 316 | ||
3 | A1g | 423 | 434 | 1.027 | 106 | 317 | ||
4 | A1u | 137 | 131 | 0.954 | 106 | 318 | ||
5 | A2u | 2212 | 2154 | 0.974 | 106 | 319 | ||
6 | A2u | 855 | 844 | 0.987 | 106 | 320 | ||
7 | Eg | 2217 | 2155 | 0.972 | 106 | 321 | ||
8 | Eg | 946 | 929 | 0.982 | 106 | 322 | ||
9 | Eg | 634 | 625 | 0.986 | 106 | 323 | ||
10 | Eu | 2226 | 2179 | 0.979 | 106 | 324 | ||
11 | Eu | 960 | 940 | 0.979 | 106 | 325 | ||
12 | Eu | 375 | 379 | 1.011 | 106 | 326 |
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140 | ![]() |
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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 |