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Compare vibrational frequencies in CCCBDB for C5H6 (Propellane)

HF/3-21G

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' 3338 3023   -6 A1'   3029  
2 A1' 1662 1505   3 A1'   1502  
3 A1' 1085 982   -142 A1'   1124  
4 A1' 992 898   -10 A1'   908  
5 A1" 1027 930           
6 A2' 3419 3096           
7 A2' 1010 915           
8 A2" 1271 1151   27 A2"   1124 renumbered from 14
9 A2" 428 388   -227 A2"   615 renumbered from 15
10 E' 3425 3102   22 E'   3080 renumbered from 7
11 E' 3332 3017   -3 E'   3020 renumbered from 8
12 E' 1620 1467   8 E'   1459 renumbered from 9
13 E' 1264 1145   -41 E'   1186 renumbered from 10
14 E' 1132 1025   -58 E'   1083 renumbered from 11
15 E' 580 525   -4 E'   529 renumbered from 12
16 E" 1263 1144   -2 E"   1146  
17 E" 1223 1108   44 E"   1064  
18 E" 667 604   -110 E"   714  
The calculated vibrational frequencies were scaled by 0.9056

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.