GENERAL INFO
Title:
O2
Browse item:
https://iochem.udg.edu:8443/browse/handle/100/1775
Program:
Gaussian 16 ES64L-G16RevA.03
Author:
Borowski, Tomasz
Formula:
Calculation type:
Single point Structure
Method(s):
UwB97XD
ATOM INFO
Atomic coordinates [Å]
MOLECULAR INFO
Charge / Multiplicity:
JOB
|
Energies
Spin
S^2
S**2 before annihilation =
2.0094
Dipole moment (Debye)
Dipole moment
X
Y
Z
Total
-0.0000
0.0000
-0.0000
0.0000
Quadrupole moment
XX
YY
ZZ
XY
XZ
YZ
-9.9079
-9.9079
-10.4740
-0.0000
-0.0000
0.0000
Report data
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