WebMO Job Summary
485850: O3N(-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
NO
3
(1-)
Symmetry
D3H
Basis
6-31G(d)
RB3LYP Energy
-280.335867395 Hartree
ZPE
0.014276 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-280.318432 Hartree
Enthalpy
-280.317488 Hartree
Free Energy
-280.345407 Hartree
C
v
8.654 cal/mol-K
Entropy
58.760 cal/mol-K
Dipole Moment
0.0000 Debye
Server
batch (498881)
CPU time
17 sec
Geometry Sequence Energies
Step
Energy
0
-280.335867395
1
-280.335867395
2
-280.335867395
Animation speed
Loop
None
Loop
Cycle
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
13.17753
0.43955508714
b
13.17753
0.43955508714
c
6.58877
0.21977771035
Vibrational Modes
Mode
Symmetry
Frequency (cm
-1
)
IR (Raman) Intensity
Actions
1
E'
706.1638
1.1198
2
E'
706.1638
1.1198
3
A2"
837.9789
23.2725
4
A1'
1076.4777
0.0000
5
E'
1469.7356
445.6758
6
E'
1469.7397
445.6915
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm
-1
)
Quote
THE HURRIEDER I GO, THE BEHINDER I GET.