WebMO Job Summary
203: C4O4Fe 2minus, Bond Orders - Gaussian
Raw Output
Save Notes
Calculated Quantities
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Overview
Quantity
Value
Route
#N B3LYP/6-31G(d) SP POP=NBORead Geom=Connectivity
Stoichiometry
C
4
FeO
4
(2-)
Symmetry
TD
Basis
6-31G(d)
RB3LYP Energy
-1716.92107879 Hartree
Dipole Moment
0.0000 Debye
Server
localhost (1588)
CPU time
9.9 sec
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
1.0847214
0.03618241123
b
1.0847214
0.03618241123
c
1.0847214
0.03618241123
Natural Population Analysis
Atom
Symbol
Charge
1
Fe
-1.06964
2
C
0.41344
3
O
-0.64603
4
C
0.41344
5
O
-0.64603
6
C
0.41344
7
O
-0.64603
8
C
0.41344
9
O
-0.64603
Quote
GARLIC THEN HAVE POWER TO SAVE FROM DEATH BEAR WITH IT THOUGH IT MAKETH UNSAVORY BREATH, AND SCORN NOT GARLIC LIKE SOME THAT THINK IT ONLY MAKETH MEN WINK AND DRINK AND STINK. -- SIR JOHN HARRINGTON, "THE ENGLISHMAN'S DOCTOR", 1609