CCL Home Page
http://server.ccl.net/cca/software/SOURCES/FORTRAN/unimol/c4h2geom.shtml
Up Directory CCL c4h2geom.dat
unimol
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 

H-C-C-C-C--H r*=4.5: geometry from Chem Phys Lett 169, p121 (1990)
6
1,0,0,0,0,0,1.008
2,1,0,0,1.06,12.0
3,2,180,0,1.21,12.0
4,3,180,0,1.38,12.0
5,4,180.0,0,1.21,12.0
6,5,180.0,0,4.5,1.008
0

[ CCL Home Page ]
[ unimol ]
[ Raw Version of this page ]

Modified: Fri Dec 15 17:00:00 1995 GMT
Page accessed 8131 times since Sat Apr 17 21:35:24 1999 GMT