sodium

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Molecular Orbitals


Calculation failed

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POINT 1 X Y Z (ANGS) CHARGE
2.423267 0.307556 -0.101829 -2.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-6.908685 66.071102 -2.453866 66.476627
...... END OF PROPERTY EVALUATION ......
STEP CPU TIME = 0.00 TOTAL CPU TIME = 0.0 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 0.1 SECONDS, CPU UTILIZATION IS 80.00%
*** NO FORCE FIELD, SCF DOES NOT CONVERGE AT VIB0 POINT
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Sun Apr 16 13:38:16 2017
SCF IS UNCONVERGED, TOO MANY ITERATIONS
TIME TO FORM FOCK OPERATORS= 0.0 SECONDS ( 0.0 SEC/ITER)
TIME TO SOLVE SCF EQUATIONS= 0.0 SECONDS ( 0.0 SEC/ITER)
FINAL R-PM3 ENERGY IS 0.0000000000 AFTER 60 ITERATIONS