GENERAL INFO

Title: /PAm2_doublet PAm2_C1_2_doublet_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/451950
Program: Gaussian 03 AM64L-G03RevD.02
Author: Pye, Cory
Formula: H4N2P
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies

Energy Value Units
SCF Done: -451.928992272 Eh

Spin

Mulliken atomic spin densities

S^2

S**2 before annihilation = 0.7667

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.1123 1.1438 0.6597 1.3252

Quadrupole moment

XX YY ZZ XY XZ YZ
-18.9539 -26.8415 -27.1075 -1.0879 0.8587 0.4629

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