       3
GEOMETRY FILE / created by CPMD
  O      5.291743147978      5.337525256003      5.291775566932             -0.000048433166     -0.000144852122      0.000001490537
  H      4.523133631402      4.736505831401      5.291772741274              0.000009689642     -0.000002040687     -0.000000019481
  H      6.060415650400      4.736502673434      5.291772489480              0.000010053221     -0.000017541501     -0.000000031820
