GENERAL INFO

Title: cation_C
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/215530
Program: Gaussian 16 ES64L-G16RevC.01
Author: Tantillo, Dean
Formula: C15H27
Calculation type: Geometry optimization Minimum
Method(s): RmPW1PW91

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 1 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -587.495379694 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-8.7365 1.3175 -0.2156 8.8379

Quadrupole moment

XX YY ZZ XY XZ YZ
-48.9371 -84.1251 -87.2604 -7.4954 0.7509 -0.6361

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