$grad
  cycle =      1    SCF energy =    -5.07045627204   |dE/dxyz| =  0.012576
   -0.00718762925089     -0.10596290098010      0.00000000000000      O 
    1.46772132301854      0.98107212763873      0.00000000000000      H 
   -1.46252987818042      0.97441354346808      0.00000000000000      H 
  -7.1555127502412E-03  -5.2788807168828E-03   2.2922517447260E-17
   7.1584842718167E-03   5.2763022240331E-03  -2.6060107354014E-17
  -2.9715215754611E-06   2.5784928497193E-06   3.1375899067543E-18
$end
