WebMO Job Summary
406736: F atomic fluorine, 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
Method
B3LYP
Stoichiometry
F(2)
Symmetry
OH
Basis
6-311+G(2d,p)
UB3LYP Energy
-99.7607782426 Hartree
ZPE
0.000000 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-99.759362 Hartree
Enthalpy
-99.758418 Hartree
Free Energy
-99.775591 Hartree
C
v
2.981 cal/mol-K
Entropy
36.145 cal/mol-K
Dipole Moment
0.0000 Debye
Server
class (408306)
CPU time
83.8 sec
Geometry Sequence Energies
Step
Energy (au)
0
-99.7607782426
1
-99.7607782426
2
-99.7607782426
Animation speed
Loop
None
Loop
Cycle
Partial Charges
Atom
Symbol
Charge
1
F
0.000000
Vibrational Modes
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Mode
Symmetry
Frequency (cm
-1
)
IR Intensity
Actions
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm
-1
)
Quote
... THE UNIVERSE IS NOT ONLY QUEERER THAN WE SUPPOSE, BUT QUEERER THAN WE CAN SUPPOSE ... -- J. B. S. HALDANE