$grad
  cycle =      1    SCF energy =    -5.06754437565   |dE/dxyz| =  0.000340
    0.11035021725127      0.21875475621079      0.29749277950732      O 
    1.55671940475615      0.51607908765793     -0.75320062164177      H 
   -0.30441949772339      1.79070484916870      1.09829312621608      H 
   1.1427638125329E-04   2.0707081453867E-04  -2.7682064323848E-05
  -1.3616977246750E-04  -4.9409514994880E-05   9.2463060059425E-05
   2.1893391214206E-05  -1.5766129954380E-04  -6.4780995735576E-05
$end
