| http://server.ccl.net/cca/software/SOURCES/FORTRAN/EHT/test2.shtml |
|
CCL test2.dat | |||
|
Tetrakis isocyanato cobalt (perfect tetrahedral) isocyanides =30 degrees
0 13 -1 3 2 FFFFTTTFFFFFFTFFTFTT
2.4184600 2.4184600 1.8024140
-2.4184600 -2.4184600 1.8024140
-2.4184600 2.4184600 -1.8024140
2.4184600 -2.4184600 -1.8024140
0.0000000 0.0000000 0.0000000
1.0311480 1.0311480 1.0311480
-1.0311480 -1.0311480 1.0311480
-1.0311480 1.0311480 -1.0311480
1.0311480 -1.0311480 -1.0311480
1.7101110 1.7101110 1.7101110
-1.7101110 -1.7101110 1.7101110
-1.7101110 1.7101110 -1.7101110
1.7101110 -1.7101110 -1.7101110
* H H H * * C C C * N N N
H 1 1 1.3 -13.6
CO 9 4 1.600 -8.00 4 1.600 -8.00 3 5.55 -17.9 0.555 2.00 0.6460
C 4 2 1.625 -21.4 2 1.625 -11.4
N 5 2 1.950 -26.0 2 1.950 -13.4
13.618 27.18 13.60 12.8
0.899 8.263 7.33 6.5
0.899 9.329 8.74
0.899 8.846 10.4
0.936 6.441 3.81 4.5
0.936 7.519 5.04
0.936 7.519 5.06
1.717 11.3 5.55 11.3
1.717 13.172 9.37
1.717 13.086 11.0
11.9 20.4 11.9
11.9 10.6 11.9
13.7 26.4 13.7
13.7 13.4 13.7
|
[ CCL Home Page ]
[ EHT ]
[ Raw Version of this page ]
| Modified: Wed Oct 13 16:00:00 1993 GMT |
| Page accessed 8330 times since Sat Apr 17 21:33:58 1999 GMT |