GENERAL INFO

Title: /Rh2(s-TCPTTL)4 rh2stcpttl4_aaab
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/216506
Program: Gaussian 16 ES64L-G16RevC.01
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: -11163.2330458 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.2205 0.2354 -0.5299 0.6203

Quadrupole moment

XX YY ZZ XY XZ YZ
-662.8101 -671.0229 -663.7312 5.0501 -5.5140 12.8290

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