$grad
  cycle =      1    SCF energy =    -5.06931642445   |dE/dxyz| =  0.043496
   -0.02710826298714     -0.12181605003326      0.00000000000000      O 
    1.49475838490475      0.99635189920368      0.00000000000000      H 
   -1.46964630651935      0.97498692076730      0.00000000000000      H 
  -2.4783288937821E-02  -1.8213272511207E-02  -4.5478829407471E-17
   2.4785881509282E-02   1.8211168475463E-02   5.1481041258328E-17
  -2.5925714604244E-06   2.1040357440083E-06  -6.0022118508567E-18
$end
