sodium

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Molecular Orbitals


Calculation failed

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POINT 1 X Y Z (ANGS) CHARGE
2.468023 -0.122843 -0.086721 -2.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-155.351570 164.383410 236.854171 327.499487
...... END OF PROPERTY EVALUATION ......
STEP CPU TIME = 0.00 TOTAL CPU TIME = 0.0 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 0.0 SECONDS, CPU UTILIZATION IS 100.00%
*** NO FORCE FIELD, SCF DOES NOT CONVERGE AT VIB0 POINT
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Mon Jan 23 22:28:39 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