CCL:G: "Atomic number out of range in MkApno" in Gaussian 09
- From: "Chelsea Mueller"
<cmueller1893/./gmail.com>
- Subject: CCL:G: "Atomic number out of range in MkApno" in
Gaussian 09
- Date: Tue, 24 Jun 2014 12:25:53 -0400
Sent to CCL by: "Chelsea Mueller" [cmueller1893(~)gmail.com]
Hello,
I am working on a Gaussian 09 QST3 calculation involving several iron carbonyl
complexes. The
calculation fails with the error:
Atomic number out of range in MkApno.
Here is the command line I am using and the basis set information:
#p opt=(QST3,CARTESIAN) pop=full b3lyp gen IOP(3/33=1) scf=tight gfinput
scfcyc=150 pseudo-read
C H O 0
6-31G(d)
****
Fe 0
SDD
****
Any insight would be appreciated.
Thank you,
Chelsea