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Compare vibrational frequencies in CCCBDB for C2H3NO (Nitrosoethylene)

B2PLYP=FULL/6-31+G**

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' 3312 3149           
2 A' 3218 3060           
3 A' 3202 3045           
4 A' 1682 1599           
5 A' 1520 1445           
6 A' 1436 1366           
7 A' 1301 1237           
8 A' 1165 1108           
9 A' 912 867           
10 A' 615 585           
11 A' 353 336   -154 A'   490 +-50
12 A" 1003 954           
13 A" 997 948           
14 A" 683 650           
15 A" 177 169   19 A"   150 +-20
The calculated vibrational frequencies were scaled by 0.951

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.