1,1,1,3,3,3-hexabromopropan-2-one
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)
-77.257346 -165.905414 24.909855 184.699228
...... 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 80.00%
*** NO FORCE FIELD, SCF DOES NOT CONVERGE AT VIB0 POINT
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Wed Nov 18 03:00:44 2020
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