GENERAL INFO

Title: /noDisp/complexes sin-cltame4piram
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15699
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 4 H 12 Cl 1 Ta 1
Calculation type: Single point Structure
Method(s): B3LYP

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: -676.916500593 Eh

Energy Value Units
HF -676.9165006 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.8454 0.0000 0.0000 0.8454

Quadrupole moment

XX YY ZZ XY XZ YZ
-70.7447 -68.2129 -68.2122 0.0000 0.0000 0.0000

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