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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 

 chloroethane geom file
8
1 0 0 0 0 35.45
2 1 0 0 1.77 12.
3 2 109.47 -120 1.1 1.008
4 2 109.47 120 1.1 1.008
5 2 109.47 0 1.54 12.
6 5 109.47 180 1.1 1.008
7 5 109.47 -60 1.1 1.008
8 5 109.47 60 1.1 1.008
0

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