return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Vibrations > Calculated > Frequencies OR Calculated > Vibrations > Frequencies

Calculated Frequencies for AsF3H+ (Arsenic trifluoride, protonated) 1A1 C3v

MP4=FULL/aug-cc-pCVTZ 1A1 C3V

19 05 15 13 41
InChI=1S/AsF3H/c2-1(3)4/h1H/q+1 INChIKey=JYNZVCFDFISIQT-UHFFFAOYSA-N
Mode
Number
Symmetry Frequency
(cm-1)
Scaled Frequency
(cm-1)
IR Intensity
(km/mol)
reduced mass
(u)
description Raman Act
4/u)
Dep P Dep U
List of frequencies only

Unscaled Zero Point Vibrational Energy (zpe)   cm-1
Scaled (by 1) Zero Point Vibrational Energy (zpe)   cm-1

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.

List of Irreducible Representations for

Rep deg. n vib IR R