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

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