WebMO Job Summary
124991: Fluorine, Optimize + Vib Freq - Gaussian
Raw Output
Save Notes
Calculated Quantities
Expand all
Overview
Quantity
Value
Route
#N M062X/6-311+G(2d,p) OPT FREQ Geom=Connectivity
Stoichiometry
F(2)
Symmetry
OH
Basis
6-311+G(2d,p)
UM062X Energy
-99.7260393251 Hartree
ZPE
0.000000 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-99.724623 Hartree
Enthalpy
-99.723679 Hartree
Free Energy
-99.740852 Hartree
C
v
2.981 cal/mol-K
Entropy
36.145 cal/mol-K
Dipole Moment
0.0000 Debye
Server
batch (127430)
CPU time
4.7 sec
Geometry Sequence Energies
Step
Energy
0
-99.7260393251
1
-99.7260393251
2
-99.7260393251
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
I WANT IT ALL - RICH, THIN, AND CHOCOLATE.