From owner-chemistry@ccl.net Tue Mar 29 15:47:00 2016
From: "Saied Mohammed Soliman saied1soliman(-)yahoo.com" <owner-chemistry!^!server.ccl.net>
To: CCL
Subject: CCL: pop=readradii
Message-Id: <-52126-160329153954-25743-S7SFPOIkbJSa/zVUc7rYZw!^!server.ccl.net>
X-Original-From: "Saied Mohammed Soliman" <saied1soliman%%yahoo.com>
Date: Tue, 29 Mar 2016 15:39:53 -0400


Sent to CCL by: "Saied Mohammed Soliman" [saied1soliman*o*yahoo.com]
Hello,
When running the input file below, the VDW radii of Pt is not defined so 
by adding the pop=readradii with last line contain the Pt radii, it 
should work but it gave the same error "No vdW radius available for IA= 
78". Is there any error in the input?

%mem=100MW
# opt freq=internalmodes wb97xd/lanl2dz geom=connectivity pop=readradii

Title

0 1
 Pt                 2.40309040    4.70422107    2.62073180
 N                  0.88603979    3.42389665    2.76011206
 N                  1.89266617    6.20971462    1.42362851
 Cl                 4.22413936    3.63425185    1.76204293
 Cl                 2.90497743    5.51620755    4.69128422
 H                  1.05610682    2.59881841    3.29892845
 H                  0.79020441    3.06365560    1.83454816
 H                  0.28272729    3.38359381    1.96637642
 H                  2.24948442    5.85965083    0.54965725
 H                  1.73478842    6.11981340    0.43333458
 H                  0.96422574    6.04761060    1.75787491

 1 2 1.0 3 1.0 5 1.0 4 1.0
 2 6 1.0 8 1.0 7 1.0
 3 11 1.0 10 1.0 9 1.0
 4
 5
 6
 7 8 1.0
 8
 9 10 1.0
 10
 11

Pt 2.1


Thanks
Saied