H2O
1.0
       10.0000000000         0.0000000000         0.0000000000
        0.0000000000        10.0000000000         0.0000000000
        0.0000000000         0.0000000000        10.0000000000
    O    H
    1    2
Cartesian
   0.034   0.015   0.006
  -0.944   1.153  -2.376
  -2.062  -1.685   0.544
