ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.5610 0.6068 2.0887 2.6772

Quadrupole moment

XX YY ZZ XY XZ YZ
-139.9394 -151.0270 -128.3607 16.3869 4.1721 -7.0737

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.5420 -0.4620 0.2696 1.6322

Quadrupole moment

XX YY ZZ XY XZ YZ
-143.7418 -152.8290 -128.7200 -14.8399 -4.0987 -9.4097

Report data Creative Commons License
This HTML file Creative Commons License