
# HF/6-31G SCFCYC=200 SCF=(Direct,Tight) Geom=(Cangle,CDihedral) 5D 7F
Population=Full Opt=Tight FormCheck

etil-metil keton        6-31G
         
 0 1
C     .0000000000000       .0000000000000       .0000000000000
C    1.5174850000000       .0000000000000       .0000000000000
O    2.1532312706722      1.0091299577237       .0000000000000
C    -.6176712865055      1.3920234888198       .0061737185349
C    2.1876594884018     -1.3580112305199      -.0005145416899
H   -1.7006895548953      1.3229243964197       .0050055557187
H    -.3112285289797      1.9489949063934       .8835415145714
H    -.3097647148186      1.9574532163154      -.8652350085188
H    -.3310698984368      -.5742398114710       .8636690877412
H    -.3304523338019      -.5661929700725      -.8692444525503
H    3.2616758309390     -1.2351040931758       .0009367617849
H    1.8875684727457     -1.9260305291250      -.8762339204316
H    1.8853155906713     -1.9279674639845       .8731491673430


