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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for C4H8 (cyclobutane)

HF/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3054 103 A1 2951  
2 A1 2962 100 A1 2862  
3 A1 1503 35 A1 1468  
4 A1 1134 -19 A1 1153  
5 A1 988 -16 A1 1004  
6 A1 49 -150 A1 199  
7 A2 1244 -16 A2 1260  
8 A2 955 14 A2 941  
9 B1 1256 25 B1 1231  
10 B1 1186 44 B1 1142  
11 B1 976 48 B1 928  
12 B2 3063 90 B2 2973  
13 B2 2949 15 B2 2934  
14 B2 1471 32 B2 1440  
15 B2 774 -109 B2 883  
16 B2 682 57 B2 625  
17 E 3057 98 E 2959  
18 E 2953 91 E 2862  
19 E 1478 37 E 1441  
20 E 1317 65 E 1252  
21 E 1209 -8 E 1217  
22 E 925 32 E 893  
23 E 726 -20 E 746  
The calculated vibrational frequencies were scaled by 0.8165

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.