WebMO Job Summary
204: C4O4Ni0), Bond Orders - Gaussian
Raw Output
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Calculated Quantities
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Overview
Quantity
Value
Route
#N B3LYP/6-31G(d) SP POP=NBORead Geom=Connectivity
Stoichiometry
C
4
NiO
4
Symmetry
TD
Basis
6-31G(d)
RB3LYP Energy
-1961.54770082 Hartree
Dipole Moment
0.0000 Debye
Server
localhost (1633)
CPU time
9.9 sec
Rotational Constants
Constant
Frequency (GHz)
Frequency (cm
-1
)
a
1.0570815
0.03526044341
b
1.0570815
0.03526044341
c
1.0570815
0.03526044341
Natural Population Analysis
Atom
Symbol
Charge
1
Ni
-0.53777
2
C
0.56906
3
O
-0.43461
4
C
0.56906
5
O
-0.43461
6
C
0.56906
7
O
-0.43461
8
C
0.56906
9
O
-0.43461
Quote
YOU CANNOT THROW TO THE GROUND THE LETTERS OF THE GREEK ALPHABET AND PICK UP THE ILIAD. - RUFUS CHOATE, 1799-1859