<div dir="ltr">Dear Molpro users/developers,<div><br></div><div style>I'm trying to perform closed-shell CCSD(T) gradient calculations in Molpro 2012.</div><div style><br></div><div style>When I use the commands optg or frequencies, calculations go just fine. But when I ask for forces, it crashes with the following message, right after the single-point calculation:</div>
<div style><br></div><div style><div>zncen= 5 n= 0 n3=</div><div> 15</div><div> ? Error</div><div> ? Inconsistent number of geonmetry parameters</div><div>
? The problem occurs in make_symdispl</div>
<div><br></div><div style>When I request QCISD(T) instead of CCSD(T), with the exaclty same input, it runs.</div><div style><br></div><div style>Any help avoiding this error?</div><div style><br></div><div style>Best regards,</div>
<div style><br></div><div style>Gabriel</div></div></div>