GENERAL INFO
Title:
-
Program:
Gaussian 09 EM64L-G09RevA.02
Formula:
CH4O
Calculation type:
Geometry optimization Minimum
Method(s):
RB97D
ATOM INFO
Atomic coordinates [Å]
(optimized)
MOLECULAR INFO
Charge / Multiplicity:
0 1
Frozen section
Full point group
Full point group
C1
NOp
1
JOB
|
Energies
Energy
Value
Units
SCF Done:
-115.650541838
Eh
Mulliken charges
Dipole moment (Debye)
Dipole moment
X
Y
Z
Total
-1.1411
-1.6654
-0.0003
2.0189
Quadrupole moment
XX
YY
ZZ
XY
XZ
YZ
-13.2012
-12.2508
-14.0682
-2.4561
0.0003
-0.0001
Report data
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