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Compare vibrational frequencies in CCCBDB for C2H3NO (Nitrosoethylene)

B2PLYP=FULL/aug-cc-pVTZ

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 A' 3273 3140           
2 A' 3190 3061           
3 A' 3171 3043           
4 A' 1673 1605           
5 A' 1511 1449           
6 A' 1427 1369           
7 A' 1292 1240           
8 A' 1151 1104           
9 A' 902 866           
10 A' 615 590           
11 A' 353 338   -152 A'   490 +-50
12 A" 1014 973           
13 A" 1008 967           
14 A" 692 663           
15 A" 180 173   23 A"   150 +-20
The calculated vibrational frequencies were scaled by 0.9594

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.