<html><head><meta http-equiv="Content-Type" content="text/html charset=iso-8859-1"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;">Dear Mahesh,<div><br></div><div>well, the easiest way is to just go the EMSL BSE website (<a href="https://bse.pnl.gov/bse/portal">https://bse.pnl.gov/bse/portal</a>) and download these basis sets into Molpro format.</div><div><br></div><div>best,</div><div><br></div><div>-Kirk</div><div><br></div><div><br><div><div>On Apr 28, 2014, at 11:07 PM, G Mahesh <<a href="mailto:gmahesh@students.iiserpune.ac.in">gmahesh@students.iiserpune.ac.in</a>> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1"><div dir="ltr"><div class="gmail_default" style="font-family:times new roman,serif;font-size:small">Dear MOLPRO users,<br><br></div><div class="gmail_default" style="font-family:times new roman,serif;font-size:small">Can any body explain how to use ano basis set in MOLPRO?<br>
</div><div class="gmail_default" style="font-family:times new roman,serif;font-size:small"><br></div><div class="gmail_default" style="font-family:times new roman,serif;font-size:small">For example ANO-S basis set contracted to C, N, O [3s2p1d]/H[2s1p] (or) ANO-RCC basis set with a contraction [4s3p2d1f] for carbon and oxygen atoms and [3s2p1d] for hydrogen, How can I specify this type of basis sets in MOLPRO.<br>
<br><br></div><div class="gmail_default" style="font-family:times new roman,serif;font-size:small">Thanks<br></div><div class="gmail_default" style="font-family:times new roman,serif;font-size:small">Mahesh<br></div></div>
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