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III.B.3.b. (XIII.C.2.)

Vibrational frequency scaling factors

Calculated vibrational frequencies ("theory" in table) are calculated at MP2/6-31+G**
Scale factor How many Source
Molecules Vibrations
0.941 ± 0.031 270 2689 cccbdb
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Formula Name Mode Symmetry Frequency Count
Theory Experiment ratio molecules vibrations
CH3OH Methyl alcohol 1 A' 3897 3681 0.945 1 1
    2 A' 3249 3000 0.923 1 2
    3 A' 3102 2844 0.917 1 3
    4 A' 1562 1477 0.946 1 4
    5 A' 1523 1455 0.956 1 5
    6 A' 1377 1345 0.977 1 6
    7 A' 1090 1060 0.973 1 7
    8 A' 1065 1033 0.970 1 8
    9 A" 3180 2960 0.931 1 9
    10 A" 1549 1477 0.953 1 10
    11 A" 1199 1165 0.972 1 11
    12 A" 326 200 0.614 1 12
CO2 Carbon dioxide 1 Σg 1319 1333 1.011 2 13
    2 Σu 2413 2349 0.973 2 14
    3 Πu 636 667 1.049 2 15
CF3CN Acetonitrile, trifluoro- 1 A1 2196 2275 1.036 3 16
    2 A1 1258 1227 0.975 3 17
    3 A1 804 802 0.997 3 18
    4 A1 520 522 1.003 3 19
    5 E 1212 1214 1.001 3 20
    6 E 614 618 1.006 3 21
    7 E 452 463 1.025 3 22
    8 E 178 196 1.102 3 23
C3H3N3 1,3,5-Triazine 1 A1' 3279 3042 0.928 4 24
    2 A1' 1144 1132 0.990 4 25
    3 A1' 1014 992 0.979 4 26
    4 A2' 1423 1278 0.898 4 27
    5 A2' 1254 1068 0.852 4 28
    6 A2" 909 925 1.018 4 29
    7 A2" 753 737 0.979 4 30
    8 E' 3275 3056 0.933 4 31
    9 E' 1611 1555 0.965 4 32
    10 E' 1463 1410 0.964 4 33
    11 E' 1205 1176 0.976 4 34
    12 E' 687 657 0.957 4 35
    13 E" 1015 830 0.818 4 36
    14 E" 345 340 0.986 4 37
C8H8 cubane 1 A1g 3211 2995 0.933 5 38
    2 A1g 1039 1002 0.965 5 39
    3 A2u 3174 2978 0.938 5 40
    4 A2u 974 839 0.862 5 41
    5 Eg 1143 1083 0.948 5 42
    6 Eg 939 912 0.971 5 43
    7 Eu 1089 1151 1.056 5 44
    8 Eu 574 617 1.074 5 45
    9 T1g 1164 1130 0.971 5 46
    10 T1u 3193 2978 0.933 5 47
    11 T1u 1292 1230 0.952 5 48
    12 T1u 880 853 0.969 5 49
    13 T2g 3185 2970 0.933 5 50
    14 T2g 1217 1182 0.971 5 51
    15 T2g 833 821 0.986 5 52
    16 T2g 639 665 1.041 5 53
    17 T2u 1082 1036 0.957 5 54
    18 T2u 849 829 0.977 5 55
CH3SiH3 methyl silane 1 A1 3123 2898 0.928 6 56
    2 A1 2325 2166 0.932 6 57
    3 A1 1352 1260 0.932 6 58
    4 A1 992 940 0.947 6 59
    5 A1 715 700 0.978 6 60
    6 A2 206 187 0.907 6 61
    7 E 3226 2982 0.924 6 62
    8 E 2328 2169 0.932 6 63
    9 E 1501 1403 0.935 6 64
    10 E 1008 980 0.972 6 65
    11 E 921 868 0.942 6 66
    12 E 532 540 1.016 6 67
BeO beryllium oxide 1 Σ 1379 1457 1.057 7 68
NaOH sodium hydroxide 1 Σ 4003 3637 0.909 8 69
    2 Σ 545 540 0.992 8 70
    3 Π 317 300 0.945 8 71
H2 Hydrogen diatomic 1 Σg 4609 4401 0.955 9 72
C6H14 Hexane 1 Ag 3205 2966 0.926 10 73
    2 Ag 3110 2877 0.925 10 74
    3 Ag 3103 2863 0.923 10 75
    4 Ag 3085 2852 0.925 10 76
    5 Ag 1549 1460 0.942 10 77
    6 Ag 1536 1460 0.951 10 78
    7 Ag 1528 1440 0.943 10 79
    8 Ag 1454 1397 0.960 10 80
    9 Ag 1443 1366 0.946 10 81
    10 Ag 1367 1305 0.955 10 82
    11 Ag 1192 1140 0.956 10 83
    12 Ag 1116 1065 0.954 10 84
    13 Ag 1055 1007 0.954 10 85
    14 Ag 931 901 0.967 10 86
    15 Ag 375 371 0.988 10 87
    16 Ag 302 305 1.009 10 88
    17 Au 3203 2967 0.926 10 89
    18 Au 3165 2936 0.928 10 90
    19 Au 3140 2920 0.930 10 91
    20 Au 1543 1460 0.946 10 92
    21 Au 1359 1303 0.959 10 93
    22 Au 1283 1222 0.952 10 94
    23 Au 1029 1010 0.981 10 95
    24 Au 827 824 0.996 10 96
    25 Au 743 726 0.978 10 97
    26 Au 259 216 0.833 10 98
    27 Au 100 94 0.944 10 99
    28 Au 72 61 0.851 10 100
    29 Bg 3203 2966 0.926 10 101
    30 Bg 3157 2908 0.921 10 102
    31 Bg 3128 2908 0.930 10 103
    32 Bg 1544 1460 0.946 10 104
    33 Bg 1349 1305 0.967 10 105
    34 Bg 1334 1283 0.962 10 106
    35 Bg 1242 1168 0.941 10 107
    36 Bg 927 894 0.964 10 108
    37 Bg 762 740 0.971 10 109
    38 Bg 248 208 0.839 10 110
    39 Bg 146 125 0.855 10 111
    40 Bu 3205 2967 0.926 10 112
    41 Bu 3110 2884 0.927 10 113
    42 Bu 3105 2867 0.923 10 114
    43 Bu 3089 2851 0.923 10 115
    44 Bu 1554 1476 0.950 10 116
    45 Bu 1542 1465 0.950 10 117
    46 Bu 1529 1452 0.950 10 118
    47 Bu 1454 1387 0.954 10 119
    48 Bu 1423 1375 0.966 10 120
    49 Bu 1292 1249 0.966 10 121
    50 Bu 1111 1061 0.955 10 122
    51 Bu 1091 1035 0.948 10 123
    52 Bu 920 888 0.965 10 124
    53 Bu 474 470 0.991 10 125
    54 Bu 132 139 1.050 10 126
CN Cyano radical 1 Σ 2857 2069 0.724 11 127
C5H12 Pentane 1 A1 3206 2973 0.927 12 128
    2 A1 3110 2892 0.930 12 129
    3 A1 3106 2866 0.923 12 130
    4 A1 3086 2866 0.929 12 131
    5 A1 1554 1480 0.952 12 132
    6 A1 1540 1463 0.950 12 133
    7 A1 1530 1450 0.948 12 134
    8 A1 1456 1379 0.947 12 135
    9 A1 1400 1346 0.961 12 136
    10 A1 1196 1144 0.956 12 137
    11 A1 1089 1036 0.952 12 138
    12 A1 900 867 0.963 12 139
    13 A1 408 401 0.983 12 140
    14 A1 181 179 0.991 12 141
    15 A2 3203 2967 0.926 12 142
    16 A2 3152 2908 0.923 12 143
    17 A2 1544 1462 0.947 12 144
    18 A2 1353 1346 0.995 12 145
    19 A2 1298 1269 0.978 12 146
    20 A2 1011 993 0.982 12 147
    21 A2 784 766 0.977 12 148
    22 A2 260 210 0.807 12 149
    23 A2 103 131 1.267 12 150
    24 B1 3203 2965 0.926 12 151
    25 B1 3165 2930 0.926 12 152
    26 B1 3131 2930 0.936 12 153
    27 B1 1544 1469 0.952 12 154
    28 B1 1351 1303 0.964 12 155
    29 B1 1244 1170 0.941 12 156
    30 B1 887 858 0.968 12 157
    31 B1 746 727 0.975 12 158
    32 B1 249 215 0.863 12 159
    33 B1 116 88 0.760 12 160
    34 B2 3205 2965 0.925 12 161
    35 B2 3110 2879 0.926 12 162
    36 B2 3101 2866 0.924 12 163
    37 B2 1548 1476 0.953 12 164
    38 B2 1532 1456 0.950 12 165
    39 B2 1453 1389 0.956 12 166
    40 B2 1443 1379 0.955 12 167
    41 B2 1315 1269 0.965 12 168
    42 B2 1120 1073 0.958 12 169
    43 B2 1073 1024 0.955 12 170
    44 B2 958 910 0.950 12 171
    45 B2 404 406 1.005 12 172
CS carbon monosulfide 1 Σ 1316 1285 0.977 13 173
CH Methylidyne 1 Σ 2985 2861 0.958 14 174
OH Hydroxyl radical 1 Σ 3823 3738 0.978 15 175
CCl carbon monochloride 1 Σ 906 877 0.968 16 176
SiO2 silicon dioxide 2 Σu 1412 1416 1.003 17 177
    3 Πu 215 273 1.268 17 178
NaH sodium hydride 1 Σ 1191 1172 0.984 18 179
HCl Hydrogen chloride 1 Σ 3112 2991 0.961 19 180
CF4 Carbon tetrafluoride 1 A1 898 909 1.012 20 181
    2 E 425 435 1.024 20 182
    3 T2 1284 1280 0.997 20 183
    4 T2 617 631 1.023 20 184
NaF sodium fluoride 1 Σ 511 536 1.049 21 185
MgH2 magnesium dihydride 2 Σu 1658 1572 0.948 22 186
    3 Πu 456 440 0.964 22 187
F2 Fluorine diatomic 1 Σg 963 917 0.952 23 188
Cl2 Chlorine diatomic 1 Σg 542 560 1.033 24 189
CH3CHClCH3 Propane, 2-chloro- 1 A' 3233 3005 0.929 25 190
    2 A' 3216 2955 0.919 25 191
    3 A' 3169 2927 0.924 25 192
    4 A' 3120 2878 0.922 25 193
    5 A' 1548 1472 0.951 25 194
    6 A' 1536 1454 0.946 25 195
    7 A' 1466 1390 0.948 25 196
    8 A' 1348 1270 0.942 25 197
    9 A' 1224 1163 0.950 25 198
    10 A' 1120 1065 0.951 25 199
    11 A' 936 888 0.948 25 200
    12 A' 673 633 0.941 25 201
    13 A' 435 418 0.961 25 202
    14 A' 348 336 0.966 25 203
    15 A' 286 253 0.886 25 204
    16 A" 3231 2997 0.928 25 205
    17 A" 3211 2985 0.930 25 206
    18 A" 3117 2947 0.945 25 207
    19 A" 1528 1472 0.963 25 208
    20 A" 1524 1454 0.954 25 209
    21 A" 1450 1377 0.950 25 210
    22 A" 1389 1334 0.960 25 211
    23 A" 1188 1123 0.946 25 212
    24 A" 983 972 0.988 25 213
    25 A" 962 936 0.973 25 214
    26 A" 334 317 0.950 25 215
    27 A" 253 276 1.093 25 216
CS2 Carbon disulfide 1 Σg 683 658 0.963 26 217
    2 Σu 1629 1535 0.942 26 218
    3 Πu 381 397 1.041 26 219
AlF3 Aluminum trifluoride 1 A1' 681 690 1.014 27 220
    2 A2" 298 297 0.997 27 221
    3 E' 946 935 0.988 27 222
    4 E' 243 263 1.082 27 223
ClF Chlorine monofluoride 1 Σ 779 783 1.006 28 224
CH3CN Acetonitrile 1 A1 3143 2954 0.940 29 225
    2 A1 2218 2267 1.022 29 226
    3 A1 1455 1385 0.952 29 227
    4 A1 939 920 0.980 29 228
    5 E 3245 3009 0.927 29 229
    6 E 1522 1448 0.951 29 230
    7 E 1082 1041 0.962 29 231
    8 E 334 362 1.084 29 232
HCN Hydrogen cyanide 1 Σ 3514 3312 0.943 30 233
    2 Σ 2029 2089 1.030 30 234
    3 Π 695 712 1.024 30 235
CH3Cl Methyl chloride 1 A1 3161 2966 0.938 31 236
    2 A1 1458 1355 0.929 31 237
    3 A1 782 732 0.937 31 238
    4 E 3278 3042 0.928 31 239
    5 E 1525 1455 0.954 31 240
    6 E 1074 1015 0.945 31 241
SiF silicon monofluoride 1 Σ 816 857 1.050 32 242
MgS magnesium sulfide 1 Σ 556 529 0.951 33 243
C2 Carbon diatomic 1 Σg 1893 1855 0.980 34 244
LiO lithium oxide 1 Σ 782 815 1.042 35 245
P2 Phosphorus diatomic 1 Σg 714 781 1.094 36 246
BS boron sulfide 1 Σ 1223 1180 0.965 37 247
AlS Aluminum sulfide 1 Σ 703 617 0.878 38 248
CP Carbon monophosphide 1 Σ 1210 1240 1.024 39 249
SiS silicon monosulfide 1 Σ 753 750 0.996 40 250
BO boron monoxide 1 Σ 1903 1885 0.991 41 251
Si2 Silicon diatomic 1 Σg 553 511 0.924 42 252
CH4 Methane 1 A1 3120 2917 0.935 43 253
    2 E 1600 1534 0.959 43 254
    3 T2 3265 3019 0.925 43 255
    4 T2 1395 1306 0.936 43 256
CH3CCl3 Ethane, 1,1,1-trichloro- 1 A1 3140 2951 0.940 44 257
    2 A1 1465 1386 0.946 44 258
    3 A1 1129 1075 0.952 44 259
    4 A1 547 526 0.961 44 260
    5 A1 364 344 0.946 44 261
    6 A2 332 214 0.644 44 262
    7 E 3251 3014 0.927 44 263
    8 E 1519 1457 0.959 44 264
    9 E 1143 1088 0.952 44 265
    10 E 769 724 0.941 44 266
    11 E 361 351 0.973 44 267
    12 E 251 239 0.951 44 268
C6H6 Benzene 1 A1g 3278 3062 0.934 45 269
    2 A1g 1020 992 0.973 45 270
    3 A2g 1392 1326 0.953 45 271
    4 A2u 675 673 0.997 45 272
    5 B1u 3243 3068 0.946 45 273
    6 B1u 1017 1010 0.993 45 274
    7 B2g 879 995 1.132 45 275
    8 B2g 292 703 2.411 45 276
    9 B2u 1465 1310 0.894 45 277
    10 B2u 1195 1150 0.962 45 278
    11 E1g 837 849 1.014 45 279
    12 E1u 3268 3063 0.937 45 280
    13 E1u 1531 1486 0.971 45 281
    14 E1u 1075 1038 0.966 45 282
    15 E2g 3253 3047 0.937 45 283
    16 E2g 1662 1596 0.960 45 284
    17 E2g 1218 1178 0.967 45 285
    18 E2g 616 606 0.984 45 286
    19 E2u 897 975 1.087 45 287
    20 E2u 377 410 1.087 45 288
CCl4 Carbon tetrachloride 1 A1 478 459 0.961 46 289
    2 E 225 217 0.963 46 290
    3 T2 826 776 0.939 46 291
    4 T2 333 314 0.943 46 292
AlCl Aluminum monochloride 1 Σ 491 482 0.982 47 293
BeF Beryllium monofluoride 1 Σ 1207 1247 1.033 48 294
BeH beryllium monohydride 1 Σ 2152 2061 0.958 49 295
BeS beryllium sulfide 1 Σ 1020 998 0.979 50 296
C2N2 Cyanogen 1 Σg 2244 2330 1.038 51 297
    2 Σg 863 846 0.980 51 298
    3 Σu 2053 2158 1.051 51 299
    4 Πg 459 503 1.095 51 300
    5 Πu 226 234 1.038 51 301
CH3CF3 Ethane, 1,1,1-trifluoro- 1 A1 3158 2974 0.942 52 302
    2 A1 1482 1412 0.953 52 303
    3 A1 1323 1278 0.966 52 304
    4 A1 833 828 0.994 52 305
    5 A1 598 606 1.014 52 306
    6 A2 253 225 0.889 52 307
    7 E 3271 3042 0.930 52 308
    8 E 1532 1450 0.946 52 309
    9 E 1253 1230 0.982 52 310
    10 E 996 964 0.968 52 311
    11 E 530 540 1.018 52 312
    12 E 365 365 0.999 52 313
BH Boron monohydride 1 Σ 2484 2367 0.953 53 314
OCS Carbonyl sulfide 1 Σ 2082 2062 0.991 54 315
    2 Σ 899 859 0.955 54 316
    3 Π 483 520 1.077 54 317
C5H12 Propane, 2,2-dimethyl- 1 A1 3101 2909 0.938 55 318
    2 A1 1473 1381 0.938 55 319
    3 A1 755 733 0.971 55 320
    4 A2 197 198 1.005 55 321
    5 E 3189 2955 0.927 55 322
    6 E 1528 1451 0.949 55 323
    7 E 1113 999 0.898 55 324
    8 E 338 335 0.992 55 325
    9 T1 3188 2975 0.933 55 326
    10 T1 1521 1461 0.961 55 327
    11 T1 981 932 0.950 55 328
    12 T1 283 203 0.717 55 329
    13 T2 3194 2959 0.926 55 330
    14 T2 3093 2876 0.930 55 331
    15 T2 1557 1475 0.947 55 332
    16 T2 1434 1372 0.957 55 333
    17 T2 1320 1256 0.952 55 334
    18 T2 969 925 0.955 55 335
    19 T2 423 418 0.988 55 336
NH Imidogen 1 Σ 3451 3314 0.960 56 337
SiH Silylidyne 1 Σ 2137 2043 0.956 57 338
C3O2 Carbon suboxide 1 Σg 2223 2196 0.988 58 339
    2 Σg 773 786 1.017 58 340
    3 Σu 2456 2258 0.919 58 341
    4 Σu 1598 1573 0.984 58 342
    5 Πg 567 573 1.010 58 343
    6 Πu 583 550 0.944 58 344
    7 Πu 136 61 0.449 58 345
ClCN chlorocyanogen 1 Σ 2141 2216 1.035 59 346
    2 Σ 753 744 0.988 59 347
    3 Π 326 378 1.158 59 348
SO Sulfur monoxide 1 Σ 1097 1151 1.049 60 349
    1 Σ 960 1069 1.113 60 350
SH Mercapto radical 1 Σ 2812 2696 0.959 61 351
NF nitrogen fluoride 1 Σ 1135 1141 1.005 62 352
PH phosphorus monohydride 1 Σ 2472 2364 0.956 63 353
    1 Σ 2497 2415 0.967 63 354
AlH aluminum monohydride 1 Σ 1755 1682 0.958 64 355
MgH magnesium monohydride 1 Σ 1545 1493 0.966 65 356
Li2 Lithium diatomic 1 Σg 339 351 1.038 66 357
ClO Monochlorine monoxide 1 Σ 845 854 1.010 67 358
CH3F Methyl fluoride 1 A1 3145 2930 0.932 68 359
    2 A1 1524 1464 0.960 68 360
    3 A1 1055 1049 0.995 68 361
    4 E 3262 3006 0.922 68 362
    5 E 1551 1467 0.946 68 363
    6 E 1213 1182 0.975 68 364
SF Monosulfur monofluoride 1 Σ 817 838 1.026 69 365
PCl phosphorus chloride 1 Σ 546 577 1.058 70 366
PN Phosphorus mononitride 1 Σ 1159 1337 1.154 71 367
CO Carbon monoxide 1 Σ 2107 2170 1.030 72 368
S2 Sulfur diatomic 1 Σg 695 726 1.044 73 369
MgO magnesium oxide 1 Σ 997 785 0.788 74 370
CF3 Trifluoromethyl radical 1 A1 1095 1089 0.994 75 371
    2 A1 693 701 1.011 75 372
    3 E 1260 1260 1.000 75 373
    4 E 497 509 1.023 75 374
SF6 Sulfur Hexafluoride 1 A1g 735 774 1.052 76 375
    2 Eg 631 642 1.017 76 376
    3 T1u 943 948 1.005 76 377
    4 T1u 575 616 1.071 76 378
    5 T2g 484 525 1.086 76 379
    6 T2u 320 347 1.083 76 380
CH Methylidyne 1 Σ 3293 3145 0.955 77 381
CF Fluoromethylidyne 1 Σ 1278 1308 1.024 78 382
HCP HCP 1 Σ 3416 3217 0.942 79 383
    2 Σ 1247 1278 1.025 79 384
    3 Π 672 674 1.004 79 385
LiCl lithium chloride 1 Σ 629 643 1.023 80 386
LiH Lithium Hydride 1 Σ 1416 1405 0.993 81 387
ClFO3 Perchloryl fluoride 1 A1 1084 1061 0.978 82 388
    2 A1 646 715 1.107 82 389
    3 A1 483 549 1.136 82 390
    4 E 1334 1315 0.986 82 391
    5 E 536 589 1.098 82 392
    6 E 346 405 1.170 82 393
NaCl Sodium Chloride 1 Σ 363 365 1.006 83 394
PF5 Phosphorus pentafluoride 1 A1' 778 816 1.049 84 395
    2 A1' 644 648 1.006 84 396
    3 A2" 959 947 0.988 84 397
    4 A2" 540 575 1.065 84 398
    5 E' 1005 1024 1.019 84 399
    6 E' 503 533 1.060 84 400
    7 E' 163 174 1.068 84 401
    8 E" 477 520 1.089 84 402
HF Hydrogen fluoride 1 Σ 4116 4138 1.006 85 403
PCl3 Phosphorus trichloride 1 A1 522 504 0.966 86 404
    2 A1 268 252 0.940 86 405
    3 E 518 482 0.931 86 406
    4 E 186 198 1.066 86 407
N2 Nitrogen diatomic 1 Σg 2173 2359 1.085 87 408
SiF4 Silicon tetrafluoride 1 A1 771 800 1.038 88 409
    2 E 252 268 1.062 88 410
    3 T2 1007 1032 1.025 88 411
    4 T2 376 389 1.034 88 412
BeH2 beryllium dihydride 2 Σu 2318 2159 0.932 89 413
    3 Πu 731 698 0.955 89 414
LiF lithium fluoride 1 Σ 864 911 1.053 90 415
PH3 Phosphine 1 A1 2528 2323 0.919 91 416
    2 A1 1074 992 0.924 91 417
    3 E 2543 2328 0.915 91 418
    4 E 1181 1118 0.947 91 419
SiH4 Silane 1 A1 2343 2187 0.933 92 420
    2 E 1019 975 0.957 92 421
    3 T2 2352 2191 0.932 92 422
    4 T2 975 914 0.937 92 423
N2O Nitrous oxide 1 Σ 2218 2224 1.003 93 424
    2 Σ 1280 1285 1.004 93 425
    3 Π 551 589 1.070 93 426
Cl3PO Phosphoryl chloride 1 A1 1307 1322 1.012 94 427
    2 A1 488 481 0.985 94 428
    3 A1 272 266 0.978 94 429
    4 E 606 590 0.973 94 430
    5 E 333 333 0.999 94 431
    6 E 189 187 0.987 94 432
SiCl4 Silane, tetrachloro- 1 A1 433 424 0.979 95 433
    2 E 149 150 1.006 95 434
    3 T2 641 621 0.969 95 435
    4 T2 226 221 0.979 95 436
PCl5 Phosphorus pentachloride 1 A1' 400 395 0.987 96 437
    2 A1' 290 370 1.276 96 438
    3 A2" 464 465 1.002 96 439
    4 A2" 311 299 0.961 96 440
    5 E' 588 592 1.007 96 441
    6 E' 276 273 0.991 96 442
    7 E' 95 100 1.055 96 443
    8 E" 267 261 0.979 96 444
SiO Silicon monoxide 1 Σ 1159 1242 1.071 97 445
SiN Silicon nitride 1 Σ 1478 1151 0.779 98 446
P4 Phosphorus tetramer 1 A1 626 601 0.960 99 447
    2 E 362 361 0.996 99 448
    3 T2 471 467 0.991 99 449
NaO sodium monoxide 1 Σ 461 492 1.068 100 450
B2O2 Diboron dioxide 1 Σg 2049 2060 1.006 101 451
    2 Σg 619 585 0.945 101 452
    3 Σu 1871 1898 1.014 101 453
    4 Πg 498 410 0.824 101 454
    5 Πu 215 213 0.991 101 455
NH Imidogen 1 Σ 3420 3283 0.960 102 456
BeCl beryllium chloride 1 Σ 881 847 0.961 103 457
SiCl Clorosilylidyne 1 Σ 539 536 0.994 104 458
HBS hydrogen boron sulfide 1 Σ 2915 2736 0.938 105 459
    2 Σ 1217 1172 0.963 105 460
MgF Magnesium monofluoride 1 Σ 682 712 1.043 106 461
MgCl magnesium monochloride 1 Σ 465 462 0.993 107 462
SCl sulfur monochloride 1 Σ 570 575 1.009 108 463
PF phosphorus monofluoride 1 Σ 811 847 1.044 109 464
BCl boron monochloride 1 Σ 888 840 0.946 110 465
HBO Boron hydride oxide 1 Σ 2976 2850 0.958 111 466
    2 Σ 1803 1826 1.012 111 467
    3 Π 770 756 0.983 111 468
Na2 Sodium diatomic 1 Σg 158 159 1.004 112 469
AlF Aluminum monofluoride 1 Σ 765 802 1.049 113 470

How do we calculate the scaling factor?


Histogram of vibrational frequency ratios

Ratios greater than 1.35 are in the 1.35 bin. Ratios less than 0.7 are in the 0.7 bin.

250
200
150
100
50
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