WebMO Job Summary

556346: Cl(-1), Optimize + Vib Freq - Gaussian

Calculated Quantities

Expand all

Overview

Quantity Value
Route #N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry Cl(1-)
Symmetry OH
Basis 6-31G(d)
RB3LYP Energy -460.252233387 Hartree
ZPE 0.000000 Hartree
Conditions 298.150K, 1.00000 atm
Internal Energy -460.250817 Hartree
Enthalpy -460.249873 Hartree
Free Energy -460.267256 Hartree
Cv 2.981 cal/mol-K
Entropy 36.586 cal/mol-K
Dipole Moment 0.0000 Debye
Server batch (569409)
CPU time 5.3 sec

Geometry Sequence Energies

Step Energy  
0 -460.252233387  
1 -460.252233387  
2 -460.252233387  
Animation speed  
Loop  

Vibrational Modes

Mode Symmetry Frequency (cm-1) IR (Raman) Intensity Actions
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum  
Peak Width (cm-1)

Quote

IF YOU WANT TO LEARN FROM THE THEORETICAL PHYSICISTS ABOUT THE METHODS WHICH THEY USE, I ADVISE YOU TO FOLLOW THIS PRINCIPLE VERY STRICTLY: DON'T LISTEN TO THEIR WORDS; PAY ATTENTION, INSTEAD, TO THEIR ACTIONS. -- A.EINSTEIN, 1934