WebMO Job Summary
110071: O4S(-2) opt, Optimize + Vib Freq - Gaussian
Raw Output
Save Notes
Calculated Quantities
Expand all
Overview
Quantity
Value
Route
#N B3LYP/6-31G(d) OPT FREQ Geom=Connectivity
Stoichiometry
O
4
S(2-)
Symmetry
TD
Basis
6-31G(d)
RB3LYP Energy
-698.932023602 Hartree
ZPE
0.015299 Hartree
Conditions
298.150K, 1.00000 atm
Internal Energy
-698.912646 Hartree
Enthalpy
-698.911702 Hartree
Free Energy
-698.941923 Hartree
C
v
13.462 cal/mol-K
Entropy
63.606 cal/mol-K
Dipole Moment
0.0000 Debye
Server
batch (112136)
CPU time
131.3 sec
Geometry Sequence Energies
Step
Energy
0
-698.824016424
1
-698.878862998
2
-698.931863605
3
-698.932023602
4
-698.932023602
5
-698.932023602
Animation speed
Loop
None
Loop
Cycle
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
5.09175
0.16984249817
b
5.09175
0.16984249817
c
5.09175
0.16984249817
Partial Charges
Atom
Symbol
Charge
1
S
0.999735
2
O
-0.749934
3
O
-0.749934
4
O
-0.749934
5
O
-0.749934
Vibrational Modes
Mode
Symmetry
Frequency (cm
-1
)
IR (Raman) Intensity
Actions
1
E
409.9401
0.0000
2
E
409.9401
0.0000
3
T2
580.5065
25.5004
4
T2
580.5065
25.5004
5
T2
580.5065
25.5004
6
A1
894.0238
0.0000
7
T2
1086.6255
382.0652
8
T2
1086.6255
382.0652
9
T2
1086.6255
382.0652
Frequency Scale Factor
Normal Mode Amplitude
Animation Speed
IR Spectrum
Peak Width (cm
-1
)
Quote
NOBODY LOSES ALL THE TIME I HAD AN UNCLE NAMED SOL WHO WAS A BORN FAILURE AND NEARLY EVERYBODY SAID HE SHOULD HAVE GONE INTO VAUDEVILLE PERHAPS BECAUSE MY UNCLE SOL COULD SING MCCANN HE WAS A DIVER ON XMAS EVE LIKE HELL ITSELF WHICH MAY OR MAY NOT ACCOUNT FOR THE FACT THAT MY UNCLE SOL INDULGED IN THAT POSSIBLY MOST INEXCUSABLE OF ALL TO USE A HIGHFALOOTIN PHRASE LUXURIES THAT IS OR TO WIT FARMING AND BE IT NEEDLESSLY ADDED MY UNCLE SOL'S FARM FAILED BECAUSE THE CHICKENS ATE THE VEGETABLES SO MY UNCLE SOL HAD A CHICKEN FARM TILL THE SKUNKS ATE THE CHICKENS WHEN MY UNCLE SOL HAD A SKUNK FARM BUT THE SKUNKS CAUGHT COLD AND DIED AND SO MY UNCLE SOL IMITATED THE SKUNKS IN A SUBTLE MANNER OR BY DROWNING HIMSELF IN THE WATERTANK BUT SOMEBODY WHO'D GIVEN MY UNCLE SOL A VICTOR VICTROLA AND RECORDS WHILE HE LIVED PRESENTED TO HIM UPON THE AUSPICIOUS OCCASION OF HIS DECEASE A SCRUMPTIOUS NOT TO MENTION SPLENDIFEROUS FUNERAL WITH TALL BOYS IN BLACK GLOVES AND FLOWERS AND EVERYTHING AND I REMEMBER WE ALL CRIED LIKE THE MISSOURI WHEN MY UNCLE SOL'S COFFIN LURCHED BECAUSE SOMEBODY PRESSED A BUTTON (AND DOWN WENT MY UNCLE SOL AND STARTED A WORM FARM) E. E. CUMMINGS