GENERAL INFO

Title: Mo-4-gas-singlet
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/193866
Program: Gaussian 09 ES64L-G09RevD.01
Author: Artus Suarez, Lluis
Formula: C31H58BMoN2O3P2Na
Calculation type: Geometry optimization Minimum
Method(s): RM06

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -2487.84977489 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-14.0383 0.3720 2.0805 14.1965

Quadrupole moment

XX YY ZZ XY XZ YZ
-306.5830 -271.4479 -278.1323 1.8448 34.8286 -0.8555

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