WATER DIMER
-6
0.0,0.0,0.0,15.9949
0.040126,0.000000,0.977777,1.008
0.917060,0.000000,-0.270775,1.008
-.02686643585,0.0,3.907185632,15.9949
-0.4985944359,0.760641,4.256245632,1.008
-0.4985944359,-0.760641,4.256245632,1.008
1
3,2
1,2,3
4
2
1,1.9
2,2.0