$grad
  cycle =      1    SCF energy =    -5.07054437565   |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 
   1.1427632867154E-04   2.0707071926027E-04  -2.7682051586545E-05
  -1.3616955242391E-04  -4.9409600049623E-05   9.2462860942370E-05
   2.1893223752376E-05  -1.5766111921066E-04  -6.4780809355833E-05
$end
