WebMO Job Summary
124555: Cl, Optimize + Vib Freq - Gaussian
Raw Output
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Calculated Quantities
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Overview
Quantity
Value
Route
#N M062X/6-311+G(2d,p) OPT FREQ Geom=Connectivity
Stoichiometry
Cl(2)
Symmetry
OH
Basis
6-311+G(2d,p)
UM062X Energy
-460.132817428 Hartree
ZPE
0.000000 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-460.131401 Hartree
Enthalpy
-460.130457 Hartree
Free Energy
-460.148495 Hartree
C
v
2.981 cal/mol-K
Entropy
37.964 cal/mol-K
Dipole Moment
0.0000 Debye
Server
batch (126994)
CPU time
5.2 sec
Geometry Sequence Energies
Step
Energy
0
-460.132817428
1
-460.132817428
2
-460.132817428
Animation speed
Loop
None
Loop
Cycle
Partial Charges
Atom
Symbol
Charge
1
Cl
0.000000
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
THERE IS MORE TO LIFE THAN INCREASING ITS SPEED. -- GANDHI