WebMO Job Summary
610415: ON(-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(1-)
Symmetry
C*V
Basis
6-31G(d)
RB3LYP Energy
-129.810167988 Hartree
ZPE
0.003358 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-129.804444 Hartree
Enthalpy
-129.803500 Hartree
Free Energy
-129.826343 Hartree
C
v
5.050 cal/mol-K
Entropy
48.079 cal/mol-K
Dipole Moment
0.9230 Debye
Server
default (2765612)
CPU time
12 sec
Geometry Sequence Energies
Step
Energy
0
-129.780146575
1
-129.807642679
2
-129.810160234
3
-129.810167988
4
-129.810167988
5
-129.810167988
Animation speed
Loop
None
Loop
Cycle
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
0.0000000
0.00000000000
b
41.5753807
1.38680542457
c
41.5753807
1.38680542457
Vibrational Modes
Mode
Symmetry
Frequency (cm
-1
)
IR (Raman) Intensity
Actions
1
SG
1474.1262
24.3939
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm
-1
)
Quote
THE ENLIGHTENED ONE, BECAUSE HE SAW MANKIND DROWNING IN THE GREAT SEA OF BIRTH, DEATH, AND SORROW, LONGED TO SAVE THEM, FOR THIS HE WAS MOVED TO PITY. BECAUSE HE SAW MEN OF THE WORLD STRAYING IN FALSE PATHS, AND NONE TO GUIDE THEM, FOR THIS HE WAS MOVED TO PITY. .................. BECAUSE HE SAW THE MEN OF THE WORLD PLOUGHING THEIR FIELDS, SOWING THE SEED, TRAFFICKING, HUCKSTERING, BUYING, SELLING, AND AT THE END WINNOWING NOTHING BUT BITTERNESS, FOR THIS HE WAS MOVED TO PITY...... BUDAH'S PITY - UPSAKA SILA SUTRA