$grad
  cycle =      1    SCF energy =    -5.06630614989   |dE/dxyz| =  0.043123
    0.11035021725127      0.21875475621079      0.29749277950732      O 
    1.65120571098717      0.51607908765793     -0.75320062164177      H 
   -0.30441949772339      1.79070484916870      1.09829312621608      H 
  -2.4408033575382E-02  -3.8279736352475E-03   1.6920074615146E-02
   2.5277444160295E-02   3.9561039785381E-03  -1.7525343020001E-02
  -8.6941058491371E-04  -1.2813034329061E-04   6.0526840485549E-04
$end
