[molpro-user] CCSD(T) with the BSSE

[Andy May]

Yulia,

This appears to be a small bug in the input parsing, simply removing
your comments from after the brackets, i.e.:

< }
---
> }                             !geometry for C2H4-A alone
67c67
< }
---
> }                             !geometry for OH alone

solves the problem.

Best wishes,

Andy

On 17/03/10 08:46, Yulia Kalugina wrote:
> Dear Molpro comunity,
> 
> I've faced with the following problem: "Unknown command or directive ".
> I would be very happy if you help me to find the solution. Here are the input and output files.
> I'm using 2006.01 version
> 
> Best regards, Yulia
> 
> 
> 
> 
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