National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 18October 2016
NIST Standard Reference Database 101
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XOlder CCCBDB versions
XIIGeometries
XIII Vibrations
XIVReaction data
XVEntropy data
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XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers
XXIOddities

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

Vibrational frequency scaling factors

Calculated vibrational frequencies ("theory" in table) are calculated at CCD/6-31G**

Scale factor How many Source
Molecules Vibrations
0.938 ± 0.023 53 468 cccbdb
Jump to histogram
Formula Name Mode Symmetry Frequency Count
Theory Experiment ratio molecules vibrations
CH2CHCH3 Propene 21 A" 194 174 0.896 1 1
    20 A" 591 578 0.978 1 2
    19 A" 942 912 0.968 1 3
    18 A" 1040 991 0.953 1 4
    17 A" 1104 1045 0.947 1 5
    16 A" 1543 1443 0.935 1 6
    15 A" 3179 2954 0.929 1 7
    14 A' 430 428 0.995 1 8
    13 A' 956 920 0.963 1 9
    12 A' 974 963 0.989 1 10
    11 A' 1228 1171 0.954 1 11
    10 A' 1361 1297 0.953 1 12
    9 A' 1467 1378 0.939 1 13
    8 A' 1509 1420 0.941 1 14
    7 A' 1559 1470 0.943 1 15
    6 A' 1771 1650 0.932 1 16
    5 A' 3109 2871 0.924 1 17
    4 A' 3202 2954 0.923 1 18
    3 A' 3222 2991 0.928 1 19
    2 A' 3233 3013 0.932 1 20
    1 A' 3318 3090 0.931 1 21
HNCO Isocyanic acid 6 A" 624 656 1.051 2 22
    5 A' 561 577 1.029 2 23
    4 A' 811 777 0.957 2 24
    3 A' 1363 1327 0.973 2 25
    2 A' 2386 2269 0.951 2 26
    1 A' 3801 3538 0.931 2 27
C8H8 cubane 16 T2g 674 665 0.987 3 28
    15 T2g 866 821 0.948 3 29
    14 T2g 1266 1182 0.934 3 30
    13 T2g 3201 2970 0.928 3 31
    12 T1u 891 853 0.957 3 32
    11 T1u 1319 1230 0.932 3 33
    10 T1u 3208 2978 0.928 3 34
    9 T1g 1189 1130 0.950 3 35
    8 Eu 615 617 1.004 3 36
    7 Eu 1164 1151 0.989 3 37
    6 Eg 946 912 0.964 3 38
    5 Eg 1167 1083 0.928 3 39
    4 A2u 1037 839 0.809 3 40
    3 A2u 3192 2978 0.933 3 41
    2 A1g 1050 1002 0.954 3 42
    1 A1g 3226 2995 0.928 3 43
CH3CH2CHO Propanal 14 A' 686 668 0.974 4 44
    13 A' 893 848 0.950 4 45
    12 A' 1036 993 0.959 4 46
    11 A' 1152 1093 0.949 4 47
    10 A' 1427 1335 0.936 4 48
    9 A' 1465 1376 0.939 4 49
    8 A' 1485 1390 0.936 4 50
    7 A' 1525 1416 0.928 4 51
    6 A' 1561 1460 0.935 4 52
    5 A' 1873 1743 0.931 4 53
    4 A' 3015 2809 0.932 4 54
    3 A' 3104 2895 0.933 4 55
    2 A' 3134 2904 0.927 4 56
    1 A' 3219 2981 0.926 4 57
C8H8 cubane 17 T2u 1121 1036 0.924 5 58
    18 T2u 870 829 0.953 5 59
CH3COOCH3 methyl acetate 27 A" 83 110 1.327 6 60
    26 A" 155 136 0.878 6 61
    25 A" 182 187 1.028 6 62
    24 A" 614 607 0.989 6 63
    23 A" 1103 1036 0.939 6 64
    22 A" 1214 1187 0.978 6 65
    21 A" 1538 1430 0.930 6 66
    20 A" 1551 1460 0.941 6 67
    19 A" 3224 2994 0.929 6 68
    18 A" 3230 3005 0.930 6 69
    17 A' 295 303 1.028 6 70
    16 A' 433 429 0.992 6 71
    15 A' 661 639 0.966 6 72
    14 A' 893 844 0.945 6 73
    13 A' 1027 980 0.954 6 74
    12 A' 1132 1060 0.937 6 75
    11 A' 1249 1159 0.928 6 76
    10 A' 1346 1248 0.927 6 77
    9 A' 1464 1375 0.939 6 78
    8 A' 1530 1430 0.934 6 79
    7 A' 1538 1440 0.936 6 80
    6 A' 1562 1460 0.935 6 81
    5 A' 1902 1771 0.931 6 82
    4 A' 3140 2964 0.944 6 83
    3 A' 3142 2966 0.944 6 84
    2 A' 3258 3031 0.930 6 85
    1 A' 3262 3035 0.930 6 86
CH3CH2NH2 Ethylamine 24 A" 270 218 0.807 7 87
    23 A" 318 259 0.815 7 88
    22 A" 797 816 1.024 7 89
    21 A" 1036 1117 1.078 7 90
    20 A" 1320 1293 0.980 7 91
    19 A" 1432 1238 0.864 7 92
    18 A" 1558 1455 0.934 7 93
    17 A" 3164 2906 0.918 7 94
    16 A" 3194 2924 0.916 7 95
    15 A" 3654 3412 0.934 7 96
    14 A' 412 403 0.978 7 97
    13 A' 907 773 0.852 7 98
    12 A' 944 892 0.945 7 99
    11 A' 1116 1086 0.973 7 100
    10 A' 1198 1016 0.848 7 101
    9 A' 1433 1397 0.975 7 102
    8 A' 1473 1378 0.935 7 103
    7 A' 1550 1465 0.945 7 104
    6 A' 1568 1487 0.948 7 105
    5 A' 1716 1622 0.945 7 106
    4 A' 3105 2860 0.921 7 107
    3 A' 3123 2840 0.909 7 108
    2 A' 3193 2985 0.935 7 109
    1 A' 3563 3345 0.939 7 110
CH3NH2 methyl amine 15 A" 337 268 0.795 8 111
    14 A" 999     8 112
    13 A" 1398 1335 0.955 8 113
    12 A" 1581 1485 0.940 8 114
    11 A" 3207 2985 0.931 8 115
    10 A" 3670 3427 0.934 8 116
    9 A' 904 780 0.862 8 117
    8 A' 1102 1044 0.948 8 118
    7 A' 1224 1130 0.923 8 119
    6 A' 1517 1430 0.943 8 120
    5 A' 1562 1473 0.943 8 121
    4 A' 1719 1623 0.944 8 122
    3 A' 3072 2820 0.918 8 123
    2 A' 3166 2961 0.935 8 124
    1 A' 3580 3361 0.939 8 125
C5H6 1,3-Cyclopentadiene 2 A1 3289 3075 0.935 9 126
    3 A1 3109 2886 0.928 9 127
    4 A1 1633 1500 0.919 9 128
    5 A1 1496 1378 0.921 9 129
    6 A1 1455 1365 0.938 9 130
    7 A1 1166 1106 0.948 9 131
    8 A1 1039 994 0.957 9 132
    9 A1 956 915 0.957 9 133
    10 A1 820 802 0.978 9 134
    11 A2 1167 1100 0.943 9 135
    12 A2 925 941 1.017 9 136
    13 A2 724 700 0.967 9 137
    14 A2 508 516 1.016 9 138
    15 B1 3150 2900 0.921 9 139
    16 B1 966 925 0.958 9 140
    17 B1 949 891 0.939 9 141
C5H8 Cyclopentene 33 A" 392 387 0.986 10 142
    32 A" 790 702 0.889 10 143
    31 A" 924 800 0.866 10 144
    30 A" 950 937 0.986 10 145
    29 A" 975 1082 1.110 10 146
    28 A" 1078 1113 1.032 10 147
    27 A" 1187 1207 1.017 10 148
    26 A" 1269 1297 1.022 10 149
    25 A" 1354 1302 0.962 10 150
    24 A" 1380 1356 0.983 10 151
    23 A" 1432 1432 1.000 10 152
    22 A" 1556 1467 0.943 10 153
    21 A" 3102 2927 0.944 10 154
    20 A" 3156 2967 0.940 10 155
    19 A" 3264 3039 0.931 10 156
    18 A' 169 254 1.504 10 157
    17 A' 614 603 0.982 10 158
    16 A' 730 692 0.947 10 159
    15 A' 856 904 1.056 10 160
    14 A' 940 962 1.023 10 161
    13 A' 1007 964 0.957 10 162
    12 A' 1106 1048 0.947 10 163
    11 A' 1165 1213 1.041 10 164
    10 A' 1276 1284 1.006 10 165
    9 A' 1389 1302 0.938 10 166
    8 A' 1546 1449 0.937 10 167
    7 A' 1573 1467 0.932 10 168
    6 A' 1734 1616 0.932 10 169
    5 A' 3102 2852 0.920 10 170
    4 A' 3133 2902 0.926 10 171
    3 A' 3158 2916 0.923 10 172
    2 A' 3192 2958 0.927 10 173
    1 A' 3289 3066 0.932 10 174
CH3CH2CHO Propanal 24 A" 136 135 0.992 11 175
    23 A" 242 220 0.909 11 176
    22 A" 702 660 0.940 11 177
    21 A" 927 892 0.962 11 178
    20 A" 1189 1118 0.940 11 179
    19 A" 1324 1250 0.944 11 180
    18 A" 1558 1451 0.931 11 181
    17 A" 3142 2942 0.936 11 182
    16 A" 3225 2992 0.928 11 183
    15 A' 269 271 1.008 11 184
C5H6 1,3-Cyclopentadiene 18 B1 689 664 0.964 12 185
    19 B1 344 350 1.017 12 186
    20 B2 3306 3105 0.939 12 187
    21 B2 3280 3043 0.928 12 188
    22 B2 1703 1580 0.928 12 189
    23 B2 1370 1292 0.943 12 190
    24 B2 1327 1239 0.934 12 191
    25 B2 1151 1090 0.947 12 192
CS carbon monosulfide 1 Σ 1364 1285 0.942 13 193
CH Methylidyne 1 Σ 2885 2861 0.992 14 194
    1 Σ 3250 3145 0.968 14 195
C5H6 1,3-Cyclopentadiene 26 B2 1006 959 0.954 15 196
    27 B2 825 805 0.976 15 197
CH3CHCHCH3 2-Butene, (Z)- 1 A 3239 3033 0.936 16 198
    2 A 3225 2965 0.920 16 199
    3 A 3114 2878 0.924 16 200
    4 A 1795 1669 0.930 16 201
    5 A 1562 1448 0.927 16 202
    6 A 1482 1397 0.943 16 203
C4H4N2 Pyrazine 1 Ag 3277 3055 0.932 17 204
    2 Ag 1693 1580 0.933 17 205
LiH Lithium Hydride 1 Σ 1385 1405 1.015 18 206
NaH sodium hydride 1 Σ 1158 1172 1.012 19 207
C4H4N2 Pyrazine 3 Ag 1290 1233 0.956 20 208
HF Hydrogen fluoride 1 Σ 4211 4138 0.983 21 209
C4H4N2 Pyrazine 4 Ag 1064 1016 0.955 22 210
    5 Ag 614 602 0.980 22 211
    6 Au 992 960 0.968 22 212
    7 Au 364 350 0.960 22 213
    8 B1g 960 927 0.966 22 214
    9 B1u 3256 3012 0.925 22 215
    10 B1u 1566 1483 0.947 22 216
    11 B1u 1192 1130 0.948 22 217
    12 B1u 1057 1018 0.963 22 218
    13 B2g 974 983 1.009 22 219
    14 B2g 752 756 1.005 22 220
    15 B2u 3272 3069 0.938 22 221
    16 B2u 1484 1411 0.951 22 222
    17 B2u 1180 1149 0.973 22 223
    18 B2u 1124 1063 0.946 22 224
    19 B3g 3255 3040 0.934 22 225
CH3CHCHCH3 2-Butene, (Z)- 7 A 1330 1261 0.948 23 226
    8 A 1058 986 0.932 23 227
    9 A 896 880 0.983 23 228
    10 A 301 290 0.963 23 229
    11 A 3176 2988 0.941 23 230
    12 A 1544 1464 0.948 23 231
    13 A 1090 1037 0.951 23 232
    14 A 1013 880 0.868 23 233
    15 A 384 396 1.031 23 234
    17 A 3176 2965 0.934 23 235
LiO lithium oxide 1 Σ 856 815 0.952 24 236
CH3CHCHCH3 2-Butene, (Z)- 18 A 1549 1448 0.935 25 237
    19 A 1104 986 0.893 25 238
    20 A 712 673 0.945 25 239
    22 A 3220 3033 0.942 25 240
BeH beryllium monohydride 1 Σ 2115 2061 0.974 26 241
PH2 Phosphino radical 1 A1 2455 2310 0.941 27 242
    2 A1 1175 1102 0.938 27 243
CH3CHCHCH3 2-Butene, (Z)- 23 A 3205 2965 0.925 28 244
    24 A 3111 2900 0.932 28 245
    25 A 1553 1448 0.933 28 246
    26 A 1495 1420 0.950 28 247
    27 A 1442 1397 0.969 28 248
    28 A 1191 1135 0.953 28 249
    29 A 1014 986 0.973 28 250
    30 A 573 583 1.017 28 251
NH Imidogen 1 Σ 3334 3283 0.985 29 252
    1 Σ 3385 3314 0.979 29 253
C5H8 1,4-Pentadiene 1 A 3317 3080 0.929 30 254
    2 A 3233 3012 0.932 30 255
    3 A 3220 3012 0.935 30 256
    4 A 3100 2900 0.935 30 257
    5 A 1769 1644 0.929 30 258
PH phosphorus monohydride 1 Σ 2407 2364 0.982 31 259
    1 Σ 2431 2415 0.993 31 260
AlH aluminum monohydride 1 Σ 1727 1682 0.974 32 261
MgH magnesium monohydride 1 Σ 1500 1493 0.996 33 262
C4H4N2 Pyrazine 20 B3g 1637 1525 0.932 34 263
    21 B3g 1409 1346 0.955 34 264
    22 B3g 726 704 0.969 34 265
    23 B3u 817 785 0.960 34 266
    24 B3u 433 418 0.965 34 267
C5H6 1,3-Cyclopentadiene 1 A1 3314 3091 0.933 35 268
C5H8 1,4-Pentadiene 6 A 1538 1433 0.932 36 269
    7 A 1502 1413 0.941 36 270
    8 A 1355 1295 0.956 36 271
    9 A 1300 1263 0.971 36 272
    10 A 1115 1120 1.004 36 273
    11 A 1041 995 0.956 36 274
    12 A 949 918 0.967 36 275
    13 A 939 876 0.932 36 276
    14 A 686 562 0.819 36 277
    15 A 378 421 1.115 36 278
    16 A 302 137 0.453 36 279
    17 A 87 102 1.170 36 280
    18 A 3317 3080 0.929 36 281
    19 A 3232 3012 0.932 36 282
    20 A 3220 3012 0.935 36 283
    21 A 3150 2982 0.947 36 284
    22 A 1761 1640 0.931 36 285
    23 A 1509 1413 0.937 36 286
    24 A 1370 1314 0.959 36 287
    25 A 1342 1280 0.954 36 288
    26 A 1208 1060 0.878 36 289
    27 A 1043 995 0.954 36 290
    28 A 1001 995 0.994 36 291
    29 A 949 920 0.970 36 292
    30 A 920 760 0.826 36 293
    31 A 615 721 1.172 36 294
    32 A 457 421 0.921 36 295
    33 A 97 331 3.429 36 296
CH4 Methane 4 T2 1408 1306 0.928 37 297
    3 T2 3249 3019 0.929 37 298
    2 E 1618 1534 0.948 37 299
    1 A1 3115 2917 0.936 37 300
CH3CHCHCH3 2-Butene, (E)- 12 A 1542 1449 0.940 38 301
    13 A 1106 1057 0.955 38 302
    14 A 1018 964 0.947 38 303
    15 A 247 224 0.907 38 304
    17 A 3175 2954 0.930 38 305
    18 A 1543 1457 0.944 38 306
    19 A 1096 1039 0.948 38 307
    20 A 755 750 0.994 38 308
    22 A 3219 3021 0.939 38 309
    23 A 3197 2960 0.926 38 310
    24 A 3106 2899 0.933 38 311
    25 A 1562 1449 0.928 38 312
    26 A 1476 1393 0.944 38 313
    27 A 1374 1311 0.954 38 314
    28 A 1117 1072 0.959 38 315
    29 A 1018 987 0.969 38 316
    30 A 286 261 0.913 38 317
CH3SSCH3 Disulfide, dimethyl 1 A 3243 2990 0.922 39 318
    2 A 3229 2983 0.924 39 319
    3 A 3133 2913 0.930 39 320
    4 A 1540 1426 0.926 39 321
    5 A 1525 1419 0.931 39 322
    6 A 1436 1311 0.913 39 323
    7 A 1029 955 0.928 39 324
    8 A 1022 949 0.929 39 325
    9 A 748 694 0.928 39 326
    10 A 524 509 0.972 39 327
    11 A 241 240 0.997 39 328
    12 A 160 134 0.838 39 329
    13 A 97 117 1.206 39 330
    14 B 3242 2990 0.922 39 331
    15 B 3228 2983 0.924 39 332
    16 B 3131 2915 0.931 39 333
    17 B 1543 1430 0.927 39 334
    18 B 1518 1415 0.932 39 335
    19 B 1428 1303 0.912 39 336
    20 B 1027 955 0.930 39 337
    21 B 1020 949 0.930 39 338
    22 B 743 691 0.930 39 339
    23 B 271 274 1.011 39 340
    24 B 171 134 0.785 39 341
H2 Hydrogen diatomic 1 Σg 4519 4401 0.974 40 342
CF2 Difluoromethylene 1 A1 1297 1225 0.945 41 343
    2 A1 673 667 0.991 41 344
    3 B2 1201 1114 0.928 41 345
SF6 Sulfur Hexafluoride 1 A1g 774 774 1.000 42 346
    2 Eg 686 642 0.935 42 347
    3 T1u 1023 948 0.926 42 348
    4 T1u 588 616 1.046 42 349
C4H9N Pyrrolidine 36 A" 65 65 1.003 43 350
    35 A" 643 600 0.934 43 351
    34 A" 896 848 0.946 43 352
    33 A" 967 883 0.913 43 353
    32 A" 1138 1023 0.899 43 354
    31 A" 1173 1099 0.937 43 355
    30 A" 1241 1171 0.943 43 356
    29 A" 1289 1203 0.934 43 357
    28 A" 1351 1211 0.897 43 358
    27 A" 1374 1268 0.923 43 359
    26 A" 1484 1341 0.904 43 360
    25 A" 1547 1412 0.913 43 361
    24 A" 1577 1459 0.925 43 362
    23 A" 3033 2818 0.929 43 363
    22 A" 3142 2879 0.916 43 364
    21 A" 3165 2916 0.921 43 365
    20 A" 3189 2967 0.930 43 366
    19 A' 305 299 0.982 43 367
    18 A' 595 579 0.973 43 368
    17 A' 794 789 0.994 43 369
    16 A' 921 832 0.904 43 370
    15 A' 937 871 0.929 43 371
    14 A' 978 901 0.921 43 372
    13 A' 1037 920 0.887 43 373
    12 A' 1108 974 0.879 43 374
    11 A' 1270 1181 0.930 43 375
    10 A' 1292 1228 0.951 43 376
    9 A' 1371 1273 0.929 43 377
    8 A' 1452 1292 0.890 43 378
    7 A' 1569 1447 0.922 43 379
    6 A' 1594 1484 0.931 43 380
    5 A' 3037 2824 0.930 43 381
    4 A' 3151 2889 0.917 43 382
    3 A' 3170 2927 0.923 43 383
    2 A' 3207 2975 0.928 43 384
    1 A' 3612 3356 0.929 43 385
SF6 Sulfur Hexafluoride 5 T2g 500 525 1.051 44 386
    6 T2u 336 347 1.034 44 387
C3H4 cyclopropene 1 A1 3393 3158 0.931 45 388
    2 A1 3145 2909 0.925 45 389
    3 A1 1766 1653 0.936 45 390
    4 A1 1590 1483 0.933 45 391
    5 A1 1221 1110 0.909 45 392
    6 A1 968 905 0.935 45 393
    7 A2 1053 996 0.946 45 394
    8 A2 841 820 0.975 45 395
    9 B1 3216 2995 0.931 45 396
    10 B1 1148 1088 0.947 45 397
    11 B1 587 569 0.969 45 398
    12 B2 3347 3124 0.933 45 399
    13 B2 1130 1043 0.923 45 400
    14 B2 1093 1011 0.925 45 401
    15 B2 831 769 0.926 45 402
OH Hydroxyl radical 1 Σ 3807 3738 0.982 46 403
SiH2Cl2 dichlorosilane 1 A1 2358 2224 0.943 47 404
    2 A1 1000 954 0.954 47 405
    3 A1 544 527 0.969 47 406
    4 A1 192 188 0.978 47 407
    5 A2 744 710 0.954 47 408
    6 B1 2375 2237 0.942 47 409
    7 B1 621 602 0.969 47 410
    8 B2 928 876 0.944 47 411
    9 B2 614 590 0.962 47 412
HCl Hydrogen chloride 1 Σ 3081 2991 0.971 48 413
NH3 Ammonia 1 A1 3551 3337 0.940 49 414
    2 A1 1141 950 0.832 49 415
    3 E 3692 3444 0.933 49 416
    4 E 1734 1627 0.938 49 417
MgH2 magnesium dihydride 2 Σu 1630 1572 0.964 50 418
    3 Πu 447 440 0.983 50 419
H2O Water 1 A1 3377 3657 1.083 51 420
    2 A1 1768 1595 0.902 51 421
    3 B2 3509 3756 1.070 51 422
H2S Hydrogen sulfide 1 A1 2794 2615 0.936 52 423
    2 A1 1270 1183 0.931 52 424
    3 B2 2816 2626 0.932 52 425
BeH2 beryllium dihydride 2 Σu 2308 2159 0.935 53 426
    3 Πu 727 698 0.960 53 427
PH3 Phosphine 1 A1 2485 2323 0.935 54 428
    2 A1 1076 992 0.922 54 429
    3 E 2499 2328 0.932 54 430
    4 E 1169 1118 0.956 54 431
SiH4 Silane 1 A1 2309 2187 0.947 55 432
    2 E 1004 975 0.971 55 433
    3 T2 2322 2191 0.944 55 434
    4 T2 962 914 0.950 55 435
NaO sodium monoxide 1 Σ 502 492 0.982 56 436
BH3 boron trihydride 2 A2" 1198 1148 0.958 57 437
    3 E' 2789 2602 0.933 57 438
    4 E' 1262 1197 0.948 57 439
SiH3 Silyl radical 1 A1 2282 2136 0.936 58 440
    2 A1 806 728 0.903 58 441
    3 E 2319 2185 0.942 58 442
    4 E 971 922 0.949 58 443
BH Boron monohydride 1 Σ 2408 2367 0.983 59 444
NH2 Amino radical 1 A1 3436 3219 0.937 60 445
    2 A1 1601 1497 0.935 60 446
    3 B2 3541 3301 0.932 60 447
SiH Silylidyne 1 Σ 2090 2043 0.977 61 448
SiH2 silicon dihydride 1 A1 2126 1996 0.939 62 449
    2 A1 1060 999 0.943 62 450
    3 B2 2129 1993 0.936 62 451
HS Mercapto radical 1 Σ 2757 2696 0.978 63 452
CH3CHCHCH3 2-Butene, (E)- 1 A 3214 3011 0.937 64 453
    2 A 3199 2954 0.923 64 454
    3 A 3106 2874 0.925 64 455
    4 A 1804 1680 0.931 64 456
    5 A 1556 1457 0.936 64 457
    6 A 1477 1385 0.938 64 458
    7 A 1369 1309 0.956 64 459
    8 A 1206 1146 0.950 64 460
    9 A 905 866 0.957 64 461
    10 A 509 501 0.985 64 462
    11 A 3175 2960 0.932 64 463
AlH3 aluminum trihydride 1 A1' 1973 1900 0.963 65 464
    2 A2" 728 698 0.958 65 465
    3 E' 1987 1883 0.947 65 466
    4 E' 813 783 0.963 65 467
BH2 boron dihydride 2 A1 1084 954 0.880 66 468
AlH2 aluminum dihydride 1 A1 1892 1770 0.935 67 469
    2 A1 789 760 0.963 67 470
    3 B2 1929 1807 0.936 67 471

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.

350
300
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