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NIST Standard Reference Database 101
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III.G.7. (XIII.B.3.) (XIII.D.5.)

Compare vibrational frequencies for two calculations for C6H10 (3-Hexyne)

A = HF/6-31G*

B = MP2/6-31G*

scale factors=0.8985, 0.943
  symmetry   frequency (cm-1)   reduced mass (amu)   IR Intensity (km mol-1)
mode number A B   A B diff. ratio   A B diff. ratio   A B diff. ratio
1 A A   2953 3029 -76.2 0.975   1.105 1.104 0.000 1.000   0.00 0.00 0.00 3.000
2 A A   2943 3019 -76.2 0.975   1.103 1.103 -0.000 1.000   20.50 7.98 12.52 2.569
3 A A   2910 2961 -50.8 0.983   1.104 1.104 0.000 1.000   0.00 0.00 0.00 2.000
4 A A   2887 2935 -47.6 0.984   1.047 1.035 0.012 1.011   0.38 24.12 -23.74 0.016
5 A A   2882 2919 -37.0 0.987   1.049 1.060 -0.011 0.990   74.86 22.69 52.17 3.299
6 A A   2296 2164 132.1 1.061   11.898 11.781 0.117 1.010   0.05 0.00 0.05  
7 A A   1482 1480 2.5 1.002   1.062 1.055 0.007 1.007   1.46 1.37 0.09 1.068
8 A A   1473 1470 3.0 1.002   1.041 1.042 -0.001 0.999   0.00 0.00 0.00  
9 A A   1465 1459 5.8 1.004   1.068 1.073 -0.005 0.995   1.65 3.28 -1.63 0.503
10 A A   1404 1384 20.5 1.015   1.247 1.236 0.011 1.009   1.28 3.92 -2.65 0.326
11 A A   1344 1316 28.1 1.021   1.395 1.420 -0.025 0.982   0.05 0.12 -0.08 0.367
12 A A   1266 1249 16.9 1.013   1.154 1.173 -0.019 0.984   0.00 0.00 0.00  
13 A A   1090 1064 25.7 1.024   1.490 1.852 -0.362 0.805   0.00 0.73 -0.73 0.000
14 A A   1071 1059 11.9 1.011   1.692 1.368 0.324 1.237   1.54 0.00 1.54  
15 A A   952 971 -19.3 0.980   2.302 2.060 0.242 1.118   0.03 0.01 0.02 2.461
16 A A   769 757 11.7 1.015   1.186 1.157 0.029 1.025   0.00 0.00 0.00  
17 A A   661 667 -6.3 0.991   2.799 2.788 0.011 1.004   0.43 0.12 0.31 3.471
18 A A   424 406 18.7 1.046   3.188 4.002 -0.814 0.797   0.00 5.80 -5.80 0.000
19 A A   407 309 98.1 1.317   4.040 1.862 2.178 2.170   7.14 0.00 7.14  
20 A A   226 191 34.6 1.181   1.111 1.632 -0.521 0.681   0.00 0.00 0.00  
21 A A   89 82 7.1 1.086   3.149 3.165 -0.016 0.995   1.46 1.37 0.09 1.066
22 A A   12 9 2.7 1.300   1.835 1.848 -0.012 0.993   0.00 0.00 0.00  
23 B B   2953 3029 -75.9 0.975   1.105 1.105 0.000 1.000   100.45 43.78 56.67 2.294
24 B B   2943 3019 -76.5 0.975   1.103 1.103 -0.000 1.000   89.33 46.71 42.62 1.912
25 B B   2910 2961 -50.6 0.983   1.104 1.104 0.001 1.000   24.64 20.50 4.14 1.202
26 B B   2886 2934 -48.4 0.984   1.047 1.035 0.012 1.012   67.64 21.23 46.40 3.185
27 B B   2882 2919 -37.4 0.987   1.049 1.060 -0.012 0.989   0.22 26.66 -26.44 0.008
28 B B   1481 1479 2.5 1.002   1.068 1.062 0.006 1.005   0.34 2.98 -2.64 0.115
29 B B   1474 1471 3.1 1.002   1.041 1.042 -0.001 0.999   8.43 11.98 -3.56 0.703
30 B B   1463 1457 5.8 1.004   1.068 1.073 -0.005 0.995   3.06 1.28 1.79 2.400
31 B B   1404 1383 20.5 1.015   1.249 1.235 0.014 1.012   0.33 0.37 -0.04 0.896
32 B B   1342 1319 23.7 1.018   1.568 1.768 -0.200 0.887   50.11 41.17 8.93 1.217
33 B B   1268 1252 15.7 1.013   1.137 1.154 -0.017 0.985   0.00 0.20 -0.20 0.005
34 B B   1106 1130 -23.5 0.979   2.289 2.282 0.007 1.003   6.37 0.42 5.95 15.201
35 B B   1099 1083 16.2 1.015   1.467 1.431 0.036 1.025   0.97 0.43 0.53 2.231
36 B B   1052 1051 1.5 1.001   2.171 2.023 0.149 1.073   1.44 5.73 -4.29 0.252
37 B B   887 906 -19.1 0.979   2.335 2.138 0.198 1.092   0.24 0.31 -0.07 0.777
38 B B   767 765 1.2 1.002   1.153 1.152 0.000 1.000   1.55 4.15 -2.59 0.375
39 B B   573 473 99.3 1.210   4.968 4.142 0.826 1.199   0.30 0.88 -0.59 0.338
40 B B   278 285 -7.6 0.973   1.408 1.350 0.058 1.043   3.68 3.02 0.66 1.217
41 B B   223 162 61.6 1.381   3.267 3.950 -0.683 0.827   0.18 0.08 0.11 2.343
42 B B   155 146 9.7 1.066   1.527 1.605 -0.079 0.951   4.16 3.93 0.23 1.059
scaled by     0.8985 0.943

See section III.C.1 List or set vibrational scaling factors to change the scale factors used here.
See section III.C.2 Calculate a vibrational scaling factor for a given set of molecules to determine the least squares best scaling factor.