$grad
  cycle =      1    SCF energy =    -5.06930198121   |dE/dxyz| =  0.043254
    0.11035021725127      0.21875475621079      0.29749277950732      O 
    1.65120571098717      0.51607908765793     -0.75320062164177      H 
   -0.30441949772339      1.79070484916870      1.09829312621608      H 
  -2.4467651220517E-02  -3.8316792975935E-03   1.6963172362133E-02
   2.5366607145858E-02   3.9466970231755E-03  -1.7594486391158E-02
  -8.9895592534133E-04  -1.1501772558200E-04   6.3131402902532E-04
$end
