sodium

Molecule Viewer


Calculation failed

---------------------
POINT 1 X Y Z (ANGS) CHARGE
2.213171 -0.040788 -0.136836 -2.00 (A.U.)
DX DY DZ /D/ (DEBYE)
-15.747093 18.939065 335.318889 336.222273
...... END OF PROPERTY EVALUATION ......
STEP CPU TIME = 0.01 TOTAL CPU TIME = 0.0 ( 0.0 MIN)
TOTAL WALL CLOCK TIME= 0.0 SECONDS, CPU UTILIZATION IS 75.00%
*** NO FORCE FIELD, SCF DOES NOT CONVERGE AT VIB0 POINT
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Tue Sep 26 14:39:51 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 30 ITERATIONS