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:
-115.650842729
Eh
Mulliken charges
Dipole moment (Debye)
Dipole moment
X
Y
Z
Total
0.9958
-1.6376
0.0278
1.9168
Quadrupole moment
XX
YY
ZZ
XY
XZ
YZ
-13.2191
-12.2273
-14.0419
2.4768
-0.0382
-0.0116
Report data
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