WebMO Job Summary
485831: CF4, Optimize + Vib Freq - Gaussian
Raw Output
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Calculated Quantities
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Overview
Quantity
Value
Route
#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry
CF
4
Symmetry
TD
Basis
6-31G(d)
RB3LYP Energy
-437.476272689 Hartree
ZPE
0.017139 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-437.455190 Hartree
Enthalpy
-437.454246 Hartree
Free Energy
-437.484004 Hartree
C
v
12.713 cal/mol-K
Entropy
62.631 cal/mol-K
Dipole Moment
0.0000 Debye
Server
batch (498862)
CPU time
40.9 sec
Geometry Sequence Energies
Step
Energy
0
-437.398688694
1
-437.452874755
2
-437.476248253
3
-437.476272689
4
-437.476272689
5
-437.476272689
Animation speed
Loop
None
Loop
Cycle
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
5.64498
0.18829626461
b
5.64498
0.18829626461
c
5.64498
0.18829626461
Vibrational Modes
Mode
Symmetry
Frequency (cm
-1
)
IR (Raman) Intensity
Actions
1
E
424.0129
0.0000
2
E
424.0129
0.0000
3
T2
616.8468
4.5132
4
T2
616.8468
4.5132
5
T2
616.8468
4.5132
6
A1
906.3949
0.0000
7
T2
1305.9929
387.1831
8
T2
1305.9929
387.1831
9
T2
1305.9929
387.1831
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm
-1
)
Quote
IF YOU DON'T HAVE THE LAW - ARGUE THE FACTS. IF YOU DON'T HAVE THE FACTS - ARGUE THE LAW. IF YOU DON'T HAVE EITHER - POUND THE TABLE.