Geometry
Geometry Optimization
tensormol02
Energy: -644.1486514304702 Ha
1 P -0.000001 0.000003 0.139007
2 O -0.000004 -0.000001 1.626054
3 O -0.011376 1.440358 -0.549432
4 O 1.253078 -0.710319 -0.549426
5 O -1.241698 -0.730026 -0.549436
6 H 0.503688 2.066699 -0.038925
7 H 1.537966 -1.469556 -0.038926
8 H -2.041652 -0.597158 -0.038915
of 2
Comment:
Atomic Coordinates
indices
1 P 0.000000 0.000000 0.155838
2 O 0.000000 0.000000 1.619638
3 O 0.000000 1.428200 -0.541963
4 O 1.236900 -0.714100 -0.541963
5 O -1.236900 -0.714100 -0.541963
6 H 0.499600 2.082300 -0.049862
7 H 1.553500 -1.473800 -0.049862
8 H -2.053100 -0.608500 -0.049862