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Compare vibrational frequencies in CCCBDB for BH3PH3 (borane phosphine)

HF/6-31G*

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 2697 2423 169 22 A1 2528 2401 harmonic estimates
2 A1 2570 2310 80 -53 A1 2490 2363  
3 A1 1219 1096 126 27 A1 1093 1069  
4 A1 1135 1020 135 42 A1 1000 978  
5 A1 423 380 -157 -192 A1 580 572  
6 A2 224 201           
7 E 2702 2428 154 2 E 2548 2426  
8 E 2635 2367 120 -41 E 2515 2408  
9 E 1268 1139 100 -5 E 1168 1144  
10 E 1251 1124 121 22 E 1130 1102  
11 E 924 830 69 4 E 855 826  
12 E 410 369 -42 -78 E 452 447  
The calculated vibrational frequencies were scaled by 0.8985

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.