WebMO Job Summary
556346: Cl(-1), Optimize + Vib Freq - Gaussian
Raw Output
Save Notes
Calculated Quantities
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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
C
v
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
None
Loop
Cycle
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