CCL: Gaussian Job
- From: "Sergio Manzetti"
<sergio.manzetti[*]outlook.com>
- Subject: CCL: Gaussian Job
- Date: Wed, 18 Mar 2015 07:51:16 -0400
Sent to CCL by: "Sergio Manzetti" [sergio.manzetti__outlook.com]
Thanks Brian. At the end of the day, G09 was not able to solve this structure. I
am trying GAMESS instead, however I cannot find an equivalent to CASSCF method
in the example section of GAMESS US. Can anyone recommend the most accurate
method to treat a very small system (Computational time and speed is
irrelevant)?
Thanks