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Compare vibrational frequencies in CCCBDB for P2H4 (Diphosphine)

DREIDING

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 2917 2730   434 A   2296  
2 A 2910 2724   443 A   2281  
3 A 1299 1216   167 A   1049  
4 A 1260 1180   399 A   781  
5 A 980 917   264 A   653  
6 A 723 677   240 A   437  
7 A 312 292   123 A   169  
8 B 2914 2727   431 B   2296  
9 B 2898 2712   431 B   2281  
10 B 1319 1234   181 B   1053  
11 B 1003 939   61 B   878  
12 B 925 866   230 B   636  
The calculated vibrational frequencies were scaled by 0.936

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.