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README, brw.dat, brw.for, brw.out, c2h5clgeom.dat, c2h5cltsgeom.dat, c2h6geom.dat, c2h6tsgeom.dat, c4h2geom.dat, c4h2rrkm.dat, c5h12geom.dat, c5h12tsgeom.dat, cf3geom.dat, cf4geom.dat, cf4tsgeom.dat, ch3geom.dat, ch3hcnrrkm.dat, ch3ohgeom.dat, ch4geom.dat, ch4tsgeom.dat, doc, geom.dat, geom.for, geom.out, h2ogeo.dat, mas55.for, mas77.for, readme, rrkm.for, smpl1mas.dat, smpl1mas.out, smpl1out.out, smpl1rrkm.dat, smpl2mas.dat, smpl2mas.out, smpl2out.out, smpl2rrkm.dat, smpl3mas.dat, smpl3mas.out, smpl3out.out, smpl3rrkm.dat, smpl4mas.dat, smpl4mas.out, smpl4out.out, smpl4rrkm.dat, smpl5mas.dat, smpl5mas.out, smpl5out.out, smpl5rrkm.dat 

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

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