GENERAL INFO

Title: /noDisp/metal_frag sin-snme3b3lyp_noNe
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/14939
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 3 H 9 Sn 1
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

Full point group
Full point group CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -122.855758995 Eh

Energy Value Units
HF -122.855759 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.1340 0.0093 0.0000 0.1344

Quadrupole moment

XX YY ZZ XY XZ YZ
-28.9769 -27.0137 -26.8944 0.0361 0.0000 0.0000

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