WebMO Job Summary
265366: O3N(-1) nitrate D3h, 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
-280.335878895 Hartree
ZPE
0.014277 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-280.318442 Hartree
Enthalpy
-280.317498 Hartree
Free Energy
-280.345416 Hartree
C
v
8.653 cal/mol-K
Entropy
58.759 cal/mol-K
Dipole Moment
0.0000 Debye
Server
batch (273235)
CPU time
79.8 sec
Geometry Sequence Energies
Step
Energy
0
-280.327256108
1
-280.335780036
2
-280.335878895
3
-280.335878895
4
-280.335878895
Animation speed
Loop
None
Loop
Cycle
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
13.17887
0.43959978473
b
13.17887
0.43959978473
c
6.58944
0.21980005915
Partial Charges
Atom
Symbol
Charge
1
N
0.660662
2
O
-0.553554
3
O
-0.553554
4
O
-0.553554
Vibrational Modes
Mode
Symmetry
Frequency (cm
-1
)
IR (Raman) Intensity
Actions
1
E'
706.2931
1.1221
2
E'
706.2974
1.1214
3
A2"
837.9651
23.2797
4
A1'
1076.6629
0.0000
5
E'
1469.8436
445.7652
6
E'
1469.8662
445.6620
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm
-1
)
Quote
TIME IS IN FACT THE HERO OF THE PLOT. THE TIME WITH WHICH WE HAVE TO DEAL IS OF THE ORDER OF TWO BILLION YEARS...GIVEN SO MUCH TIME, THE "IMPOSSIBLE" BECOMES POSSIBLE, THE POSSIBLE PROBABLE, THE PROBABLE VIRTUALLY CERTAIN. ONE HAS ONLY TO WAIT, TIME ITSELF PERFORMS THE MIRACLES. "ORIGIN OF LIFE" LECTURES, GEORGE WALD, 1954