GENERAL INFO

Title: B12Cl11(H2O)_(-)
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/305075
Program: Gaussian 16 AS64L-G16RevC.01
Author: Kawa, Sebastian
Formula: H2B12Cl11O
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -5438.40173181 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
7.6284 -2.2312 -0.0000 7.9480

Quadrupole moment

XX YY ZZ XY XZ YZ
-225.2406 -255.6526 -253.8572 -8.4034 -0.0000 0.0000

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