CCL:G: Wachters basis set for Mn

 Sent to CCL by: "Van Dam, Hubertus J" [HubertusJJ.vanDam!A!pnnl.gov]
 Hi Joseph,
 How about visiting the Basis Set Exchange (now we are up and running again, see
 http://bse.pnl.gov). It has the
 Wachters basis set for Mn. It can also generate the basis set in the Gaussian94
 format, but I would be very much surprised if that format would be different
 from the Gaussian09 format. So I guess you should be able to use that data right
 away.
 Best wishes,
     Huub
 -----Original Message-----
 > From: owner-chemistry+hubertus.vandam==pnnl.gov!A!ccl.net [mailto:owner-chemistry+hubertus.vandam==pnnl.gov!A!ccl.net]
 On Behalf Of Joseph Katigbak jkatigba^^^stevens.edu
 Sent: Monday, August 27, 2012 1:16 PM
 To: Van Dam, Hubertus J
 Subject: CCL:G: Wachters basis set for Mn
 Sent to CCL by: "Joseph  Katigbak" [jkatigba++stevens.edu] Hi there
 everyone, I'm starting a new project on Manganese complexes with H2O2 and want
 to do some initial B3LYP calculations first. I had previously used The Wachters
 basis set for Fe and someone suggested it would be good for Mn as well. If you
 guys have the Wachters basis set for Mn in the Gaussian09 format I would be
 soooooo thankful. Thank you sooo much for any help.
 -Josephhttp://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt