<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div class=""><br class=""></div>Can you post you actual input file or at least the geometry and basis set blocks? What version of Molpro are you using?<div class=""><br class=""></div><div class="">thanks,</div><div class=""><br class=""></div><div class="">-Kirk</div><div class=""><br class=""></div><div class=""><div><blockquote type="cite" class=""><div class="">On Apr 30, 2016, at 6:02 AM, lsong <<a href="mailto:lsong@yangtzeu.edu.cn" class="">lsong@yangtzeu.edu.cn</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div style="font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; font-family: 'Times New Roman'; font-size: 14pt;" class="">Dear Molpro Users,</div><div style="font-family: 微软雅黑; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><div foxmail_class="mail_content_body" style="margin: 10px;" class=""><div style="font-family: 'Times New Roman'; font-size: 14pt;" class="">I'v got a problem when i perform a CCSD(T)-F12 calculation with AVDZ or VDZ-F12 basis set for a triatom system containing a He atom.</div><div class=""><span style="widows: 1; text-transform: none; text-indent: 0px; font-style: normal; font-variant-caps: normal; font-weight: normal; font-size: 14pt; line-height: 28px; font-family: 'Times New Roman'; white-space: normal; float: none; letter-spacing: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; display: inline !important;" class=""></span> </div><div style="font-family: 'Times New Roman'; font-size: 14pt;" class=""><span style="widows: 1; text-transform: none; text-indent: 0px; font-style: normal; font-variant-caps: normal; font-weight: normal; font-size: 14pt; line-height: 28px; font-family: 'Times New Roman'; white-space: normal; float: none; letter-spacing: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; display: inline !important;" class="">Unable to assign basis for exchange fitting.Please specify DF_BASIS_EXCH</span><br style="widows: 1; text-transform: none; text-indent: 0px; font-style: normal; font-variant-caps: normal; font-weight: normal; font-size: 14px; line-height: 28px; font-family: Tahoma, 'Microsoft Yahei', Simsun; white-space: normal; letter-spacing: normal; color: rgb(50, 52, 86); word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><span style="widows: 1; text-transform: none; text-indent: 0px; font-style: normal; font-variant-caps: normal; font-weight: normal; font-size: 14pt; line-height: 28px; font-family: 'Times New Roman'; white-space: normal; float: none; letter-spacing: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; display: inline !important;" class="">? Error</span><br style="widows: 1; text-transform: none; text-indent: 0px; font-style: normal; font-variant-caps: normal; font-weight: normal; font-size: 14px; line-height: 28px; font-family: Tahoma, 'Microsoft Yahei', Simsun; white-space: normal; letter-spacing: normal; color: rgb(50, 52, 86); word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><span style="widows: 1; text-transform: none; text-indent: 0px; font-style: normal; font-variant-caps: normal; font-weight: normal; font-size: 14pt; line-height: 28px; font-family: 'Times New Roman'; white-space: normal; float: none; letter-spacing: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; display: inline !important;" class="">? Unknown df_basis_exch</span><br style="widows: 1; text-transform: none; text-indent: 0px; font-style: normal; font-variant-caps: normal; font-weight: normal; font-size: 14px; line-height: 28px; font-family: Tahoma, 'Microsoft Yahei', Simsun; white-space: normal; letter-spacing: normal; color: rgb(50, 52, 86); word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><span style="widows: 1; text-transform: none; text-indent: 0px; font-style: normal; font-variant-caps: normal; font-weight: normal; font-size: 14pt; line-height: 28px; font-family: 'Times New Roman'; white-space: normal; float: none; letter-spacing: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; display: inline !important;" class="">? The problem occurs in f12_default_bases</span> </div><div style="font-family: 'Times New Roman'; font-size: 14pt;" class=""> </div><div style="font-family: 'Times New Roman'; font-size: 14pt;" class="">If is there a way to perform CCSD(T)-F12 calculation for He atom ? Thanks in advance.</div><div style="font-family: 'Times New Roman'; font-size: 14pt;" class=""> </div><div style="font-family: 'Times New Roman'; font-size: 14pt;" class="">S. Li</div></div></div><span style="font-family: 微软雅黑; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; float: none; display: inline !important;" class="">_______________________________________________</span><br style="font-family: 微软雅黑; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><span style="font-family: 微软雅黑; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; float: none; display: inline !important;" class="">Molpro-user mailing list</span><br style="font-family: 微软雅黑; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><a href="mailto:Molpro-user@molpro.net" style="font-family: 微软雅黑; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class="">Molpro-user@molpro.net</a><br style="font-family: 微软雅黑; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.molpro.net_mailman_listinfo_molpro-2Duser&d=CwICAg&c=C3yme8gMkxg_ihJNXS06ZyWk4EJm8LdrrvxQb-Je7sw&r=mqaXWsZ0ghQR-pXvPLjY_g&m=1clI-d5XKR-qFI3fWHN_zMA0lTGGb8XIIqohTz5pPLI&s=r2kVYdCZlwdDtttCVdR3PJt1ZdW6uYsIyJeOYO_Br3s&e=" style="font-family: 微软雅黑; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class="">https://urldefense.proofpoint.com/v2/url?u=http-3A__www.molpro.net_mailman_listinfo_molpro-2Duser&d=CwICAg&c=C3yme8gMkxg_ihJNXS06ZyWk4EJm8LdrrvxQb-Je7sw&r=mqaXWsZ0ghQR-pXvPLjY_g&m=1clI-d5XKR-qFI3fWHN_zMA0lTGGb8XIIqohTz5pPLI&s=r2kVYdCZlwdDtttCVdR3PJt1ZdW6uYsIyJeOYO_Br3s&e=</a><span style="font-family: 微软雅黑; font-size: 14px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; orphans: auto; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; widows: auto; word-spacing: 0px; -webkit-text-stroke-width: 0px; float: none; display: inline !important;" class=""></span></div></blockquote></div><br class=""></div></body></html>