[Jmol-commits] CVS: Jmol/samples pdhch3.in,NONE,1.1

[Egon W. <eg...@us...>]

Update of /cvsroot/jmol/Jmol/samples
In directory usw-pr-cvs1:/tmp/cvs-serv32091

Added Files:
	pdhch3.in 
Log Message:
Added an example Jaguar file.


--- NEW FILE: pdhch3.in ---
&gen
idft=22111
igeopt=1
ip11=2
&
&zmat
Pd   
H1    Pd 1.5000000000000
C1    Pd 1.9000000000000  H1 90.0000000000000
H2    C1 1.0000000000000  Pd 109.5000000000000  H1 0.0000000000000
H4    C1 1.0000000000000  Pd 109.5000000000000  H1 120.0000000000000
H5    C1 1.0000000000000  Pd 109.5000000000000  H1 240.0000000000000
P1    Pd 2.5000000000000  H1 90.0000000000000  H2 180.0000000000000
P2    Pd 2.5000000000000  H2 90.0000000000000  H1 180.0000000000000
H5    P1 1.5000000000000  Pd 109.5000000000000  H1 0.0000000000000
H7    P1 1.5000000000000  Pd 109.5000000000000  H1 120.0000000000000
H8    P1 1.5000000000000  Pd 109.5000000000000  H1 240.0000000000000
H9    P2 1.5000000000000  Pd 109.5000000000000  H2 0.0000000000000
H10   P2 1.5000000000000  Pd 109.5000000000000  H2 120.0000000000000
H11   P2 1.5000000000000  Pd 109.5000000000000  H2 240.0000000000000
&