GENERAL INFO

Title: NH2
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200941
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
5.0137 -1.5109 -0.6740 5.2796

Quadrupole moment

XX YY ZZ XY XZ YZ
-84.0280 -87.9671 -90.8624 8.0372 2.2136 4.8699

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
4.8008 -1.3352 -1.5241 5.2109

Quadrupole moment

XX YY ZZ XY XZ YZ
-84.0417 -87.4315 -90.7566 8.3265 -1.3183 3.5867

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