GENERAL INFO
Title:
nh3
Browse item:
https://iochem.udg.edu:8443/browse/handle/100/3820
Program:
Gaussian 16 ES64L-G16RevA.03
Author:
Besalú-Sala, Pau
Formula:
H3N
Calculation type:
Single point Structure
Method(s):
RHF
ATOM INFO
Atomic coordinates [Å]
MOLECULAR INFO
Charge / Multiplicity:
0 1
JOB
|
Energies
Energy
Value
Units
SCF Done:
-56.2049044939
Eh
Energy
Value
Units
HF
-56.2049045
Eh
Mulliken charges
Dipole moment (Debye)
Dipole moment
X
Y
Z
Total
-1.6412
-0.0000
0.0000
1.6412
Quadrupole moment
XX
YY
ZZ
XY
XZ
YZ
-9.1637
-6.2568
-6.2568
-0.0000
0.0000
-0.0000
Report data
This HTML file