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Problem in Geometry optimization

Arshad Mehmood

Respected members,
I am trying to optimize the geometry of Aspirin molecule. Though I am using a cif file (attached) for atomic coordinates, but it is not being optimized. Can any body solve my problem? Input and some part of output file is attached herewith.
I am waiting your response.


This message contains the 2 kb attachment
[ Input.inp ] Input

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