WebMO Job Summary
567368: 2. F, Optimize + Vib Freq - Gaussian
Raw Output
Save Notes
Calculated Quantities
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Overview
Quantity
Value
Route
#N M062X/cc-pVTZ OPT FREQ Geom=Connectivity
Stoichiometry
F(2)
Symmetry
OH
Basis
CC-pVTZ
UM062X Energy
-99.7302063825 Hartree
ZPE
0.000000 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-99.728790 Hartree
Enthalpy
-99.727846 Hartree
Free Energy
-99.745020 Hartree
C
v
2.981 cal/mol-K
Entropy
36.145 cal/mol-K
Dipole Moment
0.0000 Debye
Server
chem344 (2213761)
CPU time
21.2 sec
Geometry Sequence Energies
Step
Energy
0
-99.7302063825
1
-99.7302063825
2
-99.7302063825
Animation speed
Loop
None
Loop
Cycle
Partial Charges
Atom
Symbol
Charge
1
F
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
YOU CAN WIPE THE SLATE CLEAN, BUT YOU'LL STILL HAVE TO EAT A LITTLE CHALK DUST.