Geometry optimization with max. 99 cycles (geo_nrgc=99) of water at UFF level. The coordinates are in the general xyz format (%coord
xyz). The symmetry is determined automatically (gen_symm=auto)
%method
GEOMY :: uff/ [geo_nrgc=99,gen_symm=auto]
%charge
0
%coord xyz
3
Energy = -76.46516801323
O 0.0000000 0.0000000 -0.0668805
H -0.7658756 0.0000000 0.5307937
H 0.7658756 0.0000000 0.5307937
%end