GENERAL INFO

Title: prometon_CONF1_gas
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/403087
Program: Gaussian 16 EM64L-G16RevC.01
Author: Pulgar Rubio, Antonio
Formula: C10H19N5O
Calculation type: Single point Structure
Method(s): - Grimme-D3

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -741.781159181 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.6480 -1.5555 -0.0479 2.2667

Quadrupole moment

XX YY ZZ XY XZ YZ
-87.3652 -90.4717 -99.8280 -6.0149 0.1417 -0.2208

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