Molecule Viewer


Calculation failed

SPIN MULTIPLICITY = 1
NUMBER OF OCCUPIED ORBITALS (ALPHA) = 9
NUMBER OF OCCUPIED ORBITALS (BETA ) = 9
TOTAL NUMBER OF ATOMS = 8
THE NUCLEAR REPULSION ENERGY IS 74.4471012433
*** CHECK YOUR INPUT CHARGE AND MULTIPLICITY ***
THERE ARE 19 ELECTRONS, WITH CHARGE ICHARG= 0
BUT YOU SELECTED MULTIPLICITY MULT= 1
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Wed Dec 9 10:08:12 2020