CCL: 6-31G basis set

 Sent to CCL by: "Close, David M." [CLOSED|mail.etsu.edu]
 Goedele:
   A lot depends on what you are working on.  There have been discussions
 in this group just the past week on examples of where adding the diffuse
 functions can cause troubles.  There is enough expertise in the CCL to
 answer just about any question on appropriate basis sets.  However you
 must first specify what you are trying to accomplish.
   Regards, Dave Close.
 -----Original Message-----
 > From: owner-chemistry{}ccl.net [mailto:owner-chemistry{}ccl.net]
 Sent: Monday, February 20, 2006 1:18 PM
 To: Close, David M.
 Subject: CCL: 6-31G basis set
 Sent to CCL by: Goedele Roos [groos]^[vub.ac.be]
 Dear all,
 I've read somewhere that the 6-31G basis set in combination with HF is a
 bit tricky and that one can better use a 6-31G** basis set. Is thit
 correct? And what is the reason therefore?
 Thanks in advance for considering my question,
 Best regards, goedele
 Drs. Goedele Roos
 Dienst Algemene Chemie (ALGC)
 Vrije Universiteit Brussel (VUB)
 Pleinlaan 2
 B-1050 Brussels
 Tel: 0032-2-629 35 16
 Fax: 0032-2-629 33 17http://www.ccl.net/cgi-bin/ccl/send_ccl_messagehttp-:-//www.ccl.net/chemistry/sub_unsub.shtmlhttp-:-//www.ccl.net/spammers.txt