Re: inline basis set options

Posted by Coen de Graaf on May 26, 2000 at 18:25:56:

In Reply to: inline basis set options posted by Ken Wilson on May 25, 2000 at 04:57:11:

Try as in the following example:

&SEWARD &END
Title
Cartesian d with Inline option
Symmetry
X Y Z
Square
Basis Set
Cu. / Inline
29 2
3 3
3.1234
2.2345
1.3456
1.0 0.0 0.0
0.0 1.0 0.0
0.0 0.0 1.0
2 2
1.1111
0.5678
1.0 0.0
0.0 1.0
1 1
0.1250
1.0
Cartesian d
Cu 0.0 0.0 0.0
End of Basis
End of Input

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Comments:
: Try as in the following example: : &SEWARD &END : Title : Cartesian d with Inline option : Symmetry : X Y Z : Square : Basis Set : Cu. / Inline : 29 2 : 3 3 : 3.1234 : 2.2345 : 1.3456 : 1.0 0.0 0.0 : 0.0 1.0 0.0 : 0.0 0.0 1.0 : 2 2 : 1.1111 : 0.5678 : 1.0 0.0 : 0.0 1.0 : 1 1 : 0.1250 : 1.0 : Cartesian d : Cu 0.0 0.0 0.0 : End of Basis : End of Input