$grad
  cycle =      1    SCF energy =    -5.07030445268   |dE/dxyz| =  0.022270
    0.01069963725445     -0.09144094870845      0.00000000000000      O 
    1.44352286145192      0.96720965747026      0.00000000000000      H 
   -1.45621868330811      0.97375406136490      0.00000000000000      H 
   1.2664324980694E-02   9.3589099923443E-03   2.1158919033798E-18
  -1.2665590672188E-02  -9.3580214472453E-03  -2.1381235433747E-17
   1.2656914935255E-06  -8.8854509905835E-07   1.9265343530367E-17
$end
