WebMO Job Summary

261992: Br(-1) (H2O), Optimize + Vib Freq - Gaussian

Calculated Quantities

Expand all

Overview

Quantity Value
Route #N B3LYP/6-311+G(2d,p) OPT FREQ SCRF=(PCM,Solvent=Water)
Method B3LYP
Stoichiometry Br(1-)
Symmetry OH
Basis 6-311+G(2d,p)
RB3LYP Energy -2574.33583874 Hartree
ZPE 0.000000 Hartree
Conditions 298.150K, 1.00000 atm
Internal Energy -2574.334422 Hartree
Enthalpy -2574.333478 Hartree
Free Energy -2574.352014 Hartree
Cv 2.981 cal/mol-K
Entropy 39.012 cal/mol-K
Dipole Moment 0.0000 Debye
Server class (262937)
CPU time 129.8 sec

Geometry Sequence Energies

Step Energy (au)  
0 -2574.33583874  
1 -2574.33583874  
2 -2574.33583874  
Animation speed  
Loop  

Partial Charges

Atom Symbol Charge
1 Br -1.000000  

Vibrational Modes

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

Quote

AN AIRPLANE IS A COLLECTION OF SPARE PARTS FLYING IN CLOSE FORMATION.