GENERAL INFO

Title: /PAm2_doublet PAm2_C1_3_doublet
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/451953
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: -451.928195598 Eh

Spin

Mulliken atomic spin densities

S^2

S**2 before annihilation = 0.7671

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.5107 1.3943 1.4792 2.0960

Quadrupole moment

XX YY ZZ XY XZ YZ
-20.3613 -26.4659 -26.9091 -1.3280 -1.1204 1.4009

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