Propa-1,2-diene

Molecule Viewer


Calculation failed

---------------------
POINT 1 X Y Z (ANGS) CHARGE
0.000000 0.000000 0.000000 0.00 (A.U.)
DX DY DZ /D/ (DEBYE)
0.028305 0.076577 0.073362 0.109760
...... 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 75.00%
*** NO FORCE FIELD, SCF DOES NOT CONVERGE AT VIB0 POINT
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Mon Mar 20 16:55:14 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