$grad
  cycle =      1    SCF energy =   -21.53983619175   |dE/dxyz| =  0.000658
    2.40956226520142     -0.47534926659077      0.02974549220118      C 
   -0.02754570850677      1.06030384177157     -0.06186296504350      C 
   -2.20833476483724     -0.45653858806025      0.10674312448840      O 
   -2.15599959236702     -1.70077565351248     -1.22248241263881      H 
   -0.12904126272423      2.33944501348422      1.55501857552312      H 
   -0.07573177694387      2.19933637204580     -1.80127553201084      H 
    4.03351150695193      0.78046705978527      0.00612831965015      H 
    2.46641329842823     -1.60649733847558      1.74425369456545      H 
    2.52979353081328     -1.73570391689784     -1.59334319094889      H 
   -6.89410473509306      1.46325856791243      0.64621140679038      O 
   -5.65695790259623      0.32064772065671      1.32598559734017      H 
   -5.98913276193976      2.48889725192211     -0.54085375277367      H 
   -0.49939179532751     -2.44945054017820      4.48471467212961      O 
   -1.71302732661253     -2.76836660160787      3.17058403503853      H 
   -0.62603317919484     -0.67677037808916      4.83409533571485      H 
   0.0000000000000E+00   0.0000000000000E+00   0.0000000000000E+00
   0.0000000000000E+00   0.0000000000000E+00   0.0000000000000E+00
   0.0000000000000E+00   0.0000000000000E+00   0.0000000000000E+00
   0.0000000000000E+00   0.0000000000000E+00   0.0000000000000E+00
   0.0000000000000E+00   0.0000000000000E+00   0.0000000000000E+00
   0.0000000000000E+00   0.0000000000000E+00   0.0000000000000E+00
   0.0000000000000E+00   0.0000000000000E+00   0.0000000000000E+00
   0.0000000000000E+00   0.0000000000000E+00   0.0000000000000E+00
   0.0000000000000E+00   0.0000000000000E+00   0.0000000000000E+00
  -1.3076962762894E-04   2.2036420394644E-04  -1.0790317904890E-04
   1.7898617385784E-04  -1.6407141714238E-04   1.5294377829384E-04
  -1.6766622365801E-05  -1.0069925790635E-04   2.5948150719072E-04
  -1.1590444028561E-04  -1.5779009202356E-05  -6.8254662856116E-05
   2.9760591587260E-04  -2.5291441249311E-05   2.3923203961052E-05
   9.5498852604386E-05  -2.2126120140326E-04  -1.7217987624507E-04
$end
