CCL: Running EHC in C.A.C.A.O.: Problems with input



Dear Users,
Could you please tell me how can I run C.A.C.A.O program in windows7 32 bit?
If any one have C.A.C.A.O windows7-32 bit version could you please send me.

Many thanks.

With Best Regards,
Bijan


On Mon, Jan 28, 2013 at 4:36 PM, Mark ta L. Munzarov marketa]![chemi.muni.cz <owner-chemistry+*+ccl.net> wrote:

Sent to CCL by: "Mark  ta L. Munzarov  " [marketa-$-chemi.muni.cz]
Dear CCL members,

I am trying to run an Extended Hueckel Calculation in the program C.A.C.A.O using dosbox under free bsd. I have the following input:

TITL calculation of MOs for IrS complex with Ir_S bond 2.13 A ^M
KEYW EL CM NC WF RO^M
FV1 2.31 2.32 2.33 2.34 2.35 2.36 2.37 2.38
ORIG IR
INTZM 2 S   FV1
INTZM 3 Cl 1 2.37 2 93.4
INTZM 4 Cl 1 2.36 2 91.1  3 90.7
INTZM 5 Cl 1 2.36 2 93.2  3 -178.9
INTZM 6 Cl 1 2.37 2 93.6  3 -89.0
INTZM 7 N  1 2.14 2 178.4 3 108.9
INTZM 8 O  2 1.47 1 118.6 3 88.7
INTZM 9 C  2 1.78 1 111.7 3 -36.1
INTZM 10 C  2 1.78 1 111.8 3 -146.4
INTZM 11 C  7 1.35 1 130.4 2 -158.4
INTZM 12 C  7 1.33 1 124.4 2 17.9
INTZM 13 H  9 1.09 2 107.3 1 67.0
INTZM 14 H  9 1.09 2 106.8 1 -173.6
INTZM 15 H  9 1.09 2 109.0 1 -52.5
INTZM 16 H 10 1.09 2 106.7 1 172.9
INTZM 17 H 10 1.09 2 107.3 1 -67.7
INTZM 18 H 10 1.09 2 109.1 1 51.8
INTZM 19 H 12 1.08 7 124.3 1 3.0
INTZM 20 N 12 1.33 7 111.9 1 -176.6
INTZM 21 H 20 1.01 12 124.4 7 179.5
INTZM 22 C 11 1.38 7 110.6 1 176.4
INTZM 23 N 11 1.35 7 129.1 1 -3.9
INTZM 24 H 23 1.02 11 119.0 7 -5.5
INTZM 25 C 22 1.41 11 119.6 7 -179.8
INTZM 26 C 23 1.34 11 117.5 7 -179.9
INTZM 27 N 25 1.32 22 123.2 11 179.8
INTZM 28 N 25 1.35 22 117.1 11 -0.2
INTZM 29 H 26 1.08 23 116.0 11 179.3
INTZM 30 H 27 1.01 25 117.9 22 2.3
INTZM 31 H 27 1.01 25 117.9 22 177.7
END^M

After I run EHT, I get the following error message:
"Integer FORMAT can't read field starting at column 13 in this line:
INTZM 2 S   FV1

Stop - Program terminated. "

Can anybody see what is wrong in the input?

Thank you very much,

Marketa Munzarova
marketa#chemi.muni.cz
Masaryk University, Brno, Czech Republic



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