WebMO Job Summary
485866: O3Cl(-1), Optimize + Vib Freq - Gaussian
Raw Output
Save Notes
Calculated Quantities
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Overview
Quantity
Value
Route
#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry
ClO
3
(1-)
Symmetry
C3V
Basis
6-31G(d)
RB3LYP Energy
-685.641237861 Hartree
ZPE
0.009651 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-685.627850 Hartree
Enthalpy
-685.626905 Hartree
Free Energy
-685.657218 Hartree
C
v
11.268 cal/mol-K
Entropy
63.798 cal/mol-K
Dipole Moment
2.0196 Debye
Server
batch (498897)
CPU time
23.6 sec
Geometry Sequence Energies
Step
Energy
0
-685.641237861
1
-685.641237861
2
-685.641237861
Animation speed
Loop
None
Loop
Cycle
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
9.11445
0.30402532675
b
9.11445
0.30402532675
c
5.07918
0.16942320810
Vibrational Modes
Mode
Symmetry
Frequency (cm
-1
)
IR (Raman) Intensity
Actions
1
E
420.1091
10.0097
2
E
420.1104
10.0095
3
A1
551.9621
28.7240
4
A1
897.9224
42.9823
5
E
972.9937
249.9920
6
E
972.9944
249.9998
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm
-1
)
Quote
Just remember, when you're over the hill, you begin to pick up speed. -- Charles Schulz