Subject: Basis set error for the Rhodium

From: David De Vito <[email-masked]>
Date: Thu, 05 Feb 1998 11:27:04 +0100

Hello !

I have tried to download the basis set DZVP for the rhodium atom and I have
found that the d orbitals are missing on the European mirror site for the
"EMSL Gaussian Basis Set Order support".

The correct (I hope) basis set can nevertheless be found at the American
site at the address

            http://www.emsl.pnl.gov:2080/forms/basisform.html

Best regards, D. De Vito.

****************************************************************

D. De Vito
Department of Physical Chemistry
Group of Prof. Weber (Computational Chemistry)
University of Geneva
Office 106 - Sciences II
30, Quai Ernest-Ansermet
1211 Geneva 4 / Switzerland
+4122 / 702.65.35 (Office)
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+4122 / 733.38.35 (Home)
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http://www.unige.ch/sciences/chimie (Web Master)

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---

From: Nathalie Godbout <[email-masked]>
Date: Thu, 5 Feb 1998 15:05:10 -0600 (CST)

Hello,

  In case you didn't find it at pnl or if you wanted
to check these functions here is my version:

# DZVP          
O-RHODIUM (633321/53211*/531+)
    6    5    3
    6
   194399.5000000000       -0.0016557220
    29173.2000000000       -0.0126592000
     6630.9120000000       -0.0633416000
     1869.1160000000       -0.2193329000
      608.3513000000       -0.4641347000
      209.9202000000       -0.3793139000
    3
      401.6496000000       -0.1124641000
       48.6571200000        0.6320221000
       20.7838600000        0.4423307000
    3
       38.3018700000       -0.2558484000
        6.7034660000        0.8020183000
        3.0313650000        0.3409033000
    3
        5.7142600000        0.3090720000
        1.2196850000       -0.7913780000
        0.5131544000       -0.3956822000
    2
        0.7792284000        0.1731067000
        0.1052762000       -0.6552429000
    1
        0.0394174000        1.0000000000
    5
     2807.5200000000       -0.0076444680
      663.5760000000       -0.0585284000
      211.9429000000       -0.2409256000
       76.6776200000       -0.5081233000
       29.0603000000       -0.3562086000
    3
      117.8644000000        0.0241240700
       13.7192200000       -0.4969291000
        5.1161390000       -0.5776992000
    2
        2.1636270000        0.3979395000
        0.9017759000        0.5361914000
    1
        0.3647145000        1.0000000000
    1
        0.0882000000        1.0000000000
    5
      263.3566000000       -0.0142686300
       77.3886400000       -0.0990217900
       28.1976500000       -0.3190027000
       10.9766900000       -0.4999267000
        4.2068090000       -0.3046989000
    3
        3.3322710000        0.2221471000
        1.1672180000        0.5096083000
        0.3733267000        0.4779061000
    1
        0.0924000000        1.0000000000

  Let me know if you find they are differeent.

   Nathalie

 --------------------------------------------
| Nathalie Godbout                           |
| University of Illinois at Urbana-Champaign |
| 600 S. Goodwin Av. Box 23.6                |
| Urbana, IL 61801                           |
 --------------------------------------------

On Thu, 5 Feb 1998, David De Vito wrote:

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