Molecule Viewer


Calculation failed

TOTAL NUMBER OF BASIS SET SHELLS = 1
NUMBER OF CARTESIAN GAUSSIAN BASIS FUNCTIONS = 4
NUMBER OF ELECTRONS = -4
CHARGE OF MOLECULE = 7
SPIN MULTIPLICITY = 1
NUMBER OF OCCUPIED ORBITALS (ALPHA) = -2
NUMBER OF OCCUPIED ORBITALS (BETA ) = -2
TOTAL NUMBER OF ATOMS = 1
THE NUCLEAR REPULSION ENERGY IS 0.0000000000
IMPOSSIBLE SPIN MULTIPLICITY
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Fri Jun 12 14:52:14 2020