WebMO Job Summary
672911: Cl UW-Bootcamp chloro radical, Optimize + Vib Freq - Gaussian
Raw Output
Save Notes
Calculated Quantities
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Overview
Quantity
Value
Route
#N B3LYP/6-311+G(2d,p) OPT FREQ Geom=Connectivity
Stoichiometry
Cl(2)
Symmetry
OH
Basis
6-311+G(2d,p)
UB3LYP Energy
-460.167054967 Hartree
ZPE
0.000000 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-460.165639 Hartree
Enthalpy
-460.164695 Hartree
Free Energy
-460.182732 Hartree
C
v
2.981 cal/mol-K
Entropy
37.963 cal/mol-K
Dipole Moment
0.0000 Debye
Server
batch (686248)
CPU time
55.1 sec
Geometry Sequence Energies
Step
Energy
0
-460.167054967
1
-460.167054967
2
-460.167054967
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
IT PROBABLY IS NOT POSSIBLE FOR A SCIENTIST TO INTERROGATE NATURE FROM A WHOLLY DISINTERESTED VIEWPOINT. EVEN IF HE HAS NO PARTICULAR AXE TO GRIND, HE IS LIKELY TO HAVE A DISTINCTIVE WAY OF VIEWING NATURE. -- JOHN LOSEE