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Compare vibrational frequencies in CCCBDB for C3H6O (Oxetane)

QCISD/6-311G*

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A1 3089 2958   -1 A1   2959  
2 A1 3048 2918   -12 A1   2930  
3 A1 1581 1514   41 A1   1473  
4 A1 1529 1463   2 A1   1461  
5 A1 1413 1353   11 A1   1342  
6 A1 1074 1028   -106 A1   1134  
7 A1 959 918   -100 A1   1018  
8 A1 832 797   -111 A1   908  
9 A2 3090 2958   -42 A2   3000  
10 A2 1256 1203   -80 A2   1283  
11 A2 1188 1137   -48 A2   1185  
12 A2 854 818   -168 A2   986  
13 B1 3147 3013   6 B1   3007  
14 B1 3088 2956   16 B1   2940  
15 B1 1219 1167   -58 B1   1225  
16 B1 1174 1124   -18 B1   1142  
17 B1 776 743   -93 B1   836  
18 B1 38 37   -53 B1   90  
19 B2 3039 2910   -56 B2   2966  
20 B2 1553 1487   -21 B2   1508  
21 B2 1337 1280   -178 B2   1458  
22 B2 1284 1229   -134 B2   1363  
23 B2 1075 1029   -199 B2   1228  
24 B2 968 927   -9 B2   936  
The calculated vibrational frequencies were scaled by 0.9574

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.