GENERAL INFO

Title: /Rh2(s-TCPTTL)4 rh2stcpttl4_aabb
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/216504
Program: Gaussian 16 ES64L-G16RevA.03
Author: Guo, Wentao
Formula: C56H40Cl16N4O16Rh2
Calculation type: Geometry optimization Minimum
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies

Energy Value Units
SCF Done: -11163.2331822 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0002 0.4301 -0.0001 0.4301

Quadrupole moment

XX YY ZZ XY XZ YZ
-665.0406 -677.2893 -656.6111 0.0029 -5.0822 0.0038

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