http://www.ccl.net/cca/software/X-WINDOW/xbsa/xbsa/examples/ch3ohv5.bs.shtml |
CCL ch3ohv5.bs | ||||
|
* * ch3ohv.OUT -113.54919315 atom C 0.050065 0.665047 0.000000 atom O 0.050065 -0.767876 0.000000 atom H -0.912101 -1.005927 0.000000 atom H 1.090132 0.995415 0.000000 atom H -0.439468 1.081620 0.886605 atom H -0.439468 1.081620 -0.886605 spec C 0.495 0.18 0.31 0.31 spec O 0.405 0.80 0.36 0.36 spec H 0.375 0.97 0.97 1.00 bonds C O 0.150 2.250 0.15 0.50 bonds C H 0.109 1.635 0.11 0.50 bonds O H 0.105 1.575 0.11 0.50 |
[ CCL Home Page ]
[ examples ]
[ Raw Version of this page ]
Modified: Wed Jul 9 16:00:00 1997 GMT |
Page accessed 4532 times since Sat Apr 17 22:05:16 1999 GMT |