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Compare vibrational frequencies for two calculations for C6N4- (tetracyanoethylene anion)


A = HF/6-31G*
B = MP2/6-31G*

scale factors=0.8985, 0.943 0.102 -0.110 -0.236 0.235
  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 Ag Ag   2210 2869 -659.3 0.770   12.680 12.750 -0.070 0.995   0.00 0.00  
2 Ag Ag   1433 1430 3.0 1.002   12.074 12.058 0.017 1.001   0.00 0.00  
3 Ag Ag   621 628 -6.8 0.989   12.355 12.420 -0.065 0.995   0.00 0.00  
4 Ag Ag   511 526 -15.1 0.971   12.812 12.710 1.008   0.00 0.00  
5 Ag Ag   128 123 5.3 1.043   13.859 13.838 0.021 1.002   0.00 0.00  
6 Au Au   459 489 -30.2 0.938   12.340 12.348 -0.007 0.999   0.00 0.00  
7 Au Au   44 33 10.3 1.307   13.567 13.558 0.009 1.001   0.00 0.00  
8 B1g B1g   459 493 -34.1 0.931   12.370 12.365 0.005 1.000   0.00 0.00  
9 B1u B1u   2201 3109 -908.1 0.708   12.682 12.792 0.991   0.57 71260.12 0.000
10 B1u B1u   948 986 -38.6 0.961   12.344 12.275 0.069 1.006   28.95 222.43 0.130
11 B1u B1u   607 615 -8.3 0.986   12.437 12.412 0.025 1.002   1.78 5.91 0.302
12 B1u B1u   156 157 -1.4 0.991   13.434 13.423 0.011 1.001   9.34 46.76 0.200
13 B2g B2g   570 477 92.4 1.194   12.134 12.370 0.981   0.00 0.00  
14 B2g B2g   258 103i 361.4 -2.498   12.434 12.199 1.019   0.00 0.00  
15 B2u B2u   2139 2927 -788.6 0.731   12.707 12.741 -0.034 0.997   246.27 4226.51 0.058
16 B2u B2u   1116 1168 -52.0 0.956   12.349 12.325 0.024 1.002   8.80 11.84 0.743
17 B2u B2u   472 484 -11.5 0.976   12.251 12.258 -0.007 0.999   2.89 4.68 0.617
18 B2u B2u   108 102 5.4 1.053   13.623 13.605 0.018 1.001   2.60 1.34 1.937
19 B3g B3g   2132 2896 -764.1 0.736   12.718 12.745 -0.027 0.998   0.00 0.00  
20 B3g B3g   1224 1250 -26.8 0.979   12.180 12.209 -0.029 0.998   0.00 0.00  
21 B3g B3g   525 547 -21.9 0.960   12.498 12.442 0.057 1.005   0.00 0.00  
22 B3g B3g   257 259 -2.2 0.991   12.906 12.903 0.003 1.000   0.00 0.00  
23 B3u B3u   546 560 -13.4 0.976   12.200 12.242 -0.041 0.997   45.68 49.98 0.914
24 B3u B3u   138 112 26.7 1.239   12.821 12.776 0.045 1.004   21.36 17.74 1.204
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.