$CONTRL RUNTYP=OPTIMIZE $END $BASIS GBASIS=PM3 $END $SYSTEM TIMLIM=600 MWORDS=6.25 $END $STAPT NSTEP=200 $END $SCF DIIS=.T. $END $DATA untitled C1 C 6.0 3.31378 0.24853 0.00000 C 6.0 -2.40249 0.44184 0.00000 C 6.0 -3.47947 0.44184 0.00000 C 6.0 2.12634 0.35899 0.00000 O 8.0 1.27028 1.38074 0.00000 O 8.0 0.88367 -0.46945 0.00000 O 8.0 -1.24267 1.51881 0.00000 O 8.0 -1.38074 -0.69037 0.00000 H 1.0 0.37180 1.85133 0.45559 H 1.0 -0.54041 -1.00369 -0.24077 H 1.0 4.08506 0.97828 0.16949 H 1.0 4.27008 -0.10990 -0.10569 H 1.0 3.19345 -0.96241 -0.29888 H 1.0 -4.20716 1.21507 0.38060 H 1.0 -4.44451 0.23217 0.13946 H 1.0 -3.72491 -0.57769 -0.07600 $END