GENERAL INFO

Title: NO2
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200938
Program: Gaussian 09 AM64L-G09RevD.01
Author: Laconsay, Croix
Formula:
Calculation type: Single point Structure
Method(s): RM062X

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-2.0660 -1.9442 -1.4153 3.1704

Quadrupole moment

XX YY ZZ XY XZ YZ
-110.0874 -96.8595 -98.2963 3.8599 1.6899 5.4482

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.9622 -1.9450 -1.3353 3.0685

Quadrupole moment

XX YY ZZ XY XZ YZ
-109.7014 -96.1814 -98.6611 3.8652 1.6361 5.1862

Report data Creative Commons License
This HTML file Creative Commons License