Subject: Basis sets for Sn

From: Isabel Rozas <[email-masked]>
Date: Mon, 24 Nov 1997 12:18:38 +0000

Hi there!
I am looking for basis sets for Sn. I found the STO-3G and
the 3-21G basis sets but I would need something a little 
bigger.
Does anybody know where I can get them?  or Does anybody
have them available somewhere?
Thanks in advance,

		Isabel Rozas

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   Isabel Rozas                                 [email-masked]
   Instituto de Quimica Medica (C.S.I.C.)       Phone: 34-1-562 2900
   c/ Juan de la Cierva 3                       Fax: 34-1-564 4853
   28003-Madrid (Spain)
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---

From: John Waite <[email-masked]>
Date: Mon, 24 Nov 1997 20:35:16 +0000 (GMT)

Try the below Isabel.

  CONTRACTED GTO BASIS FOR Sn
            STATE:   3P

      J.WAITE,
      THE NATIONAL HELLENIC RESEARCH FOUNDATION,
         ORGANIC CHEMISTRY INSTITUTE,
            VAS. KONSTANTINOU 48,
               ATHENS 116-35,
                  GREECE

            EXPONENTS            CONTRACTION COEFFICIENTS

        S     9   1.0
        4.142518414956335D+06      4.914431009415644D-05
        6.213291200686644D+05      3.583394001319665D-04
        1.421969604620625D+05      2.028952948068900D-03
        4.046779700708936D+04      7.524913117315141D-03
        1.324973036511741D+04      3.062052366445234D-02
        4.806353955774725D+03      7.578488823698701D-02
        1.886488717519995D+03      2.343446419619856D-01
        7.870073426841410D+02      2.918185230956454D-01
        3.440501376507852D+02      4.859816849353728D-01

        S     3   1.0
        1.541600913220219D+02     -2.781200369991019D-01
        6.885453832868097D+01      8.765113933162078D-01
        3.183917689497430D+01      3.717163535010151D-01

        S     2   1.0
        1.210302581710237D+01      1.782503037727801D-01
        6.063302228320892D+00      8.341779452261029D-01

        S     2   1.0
        2.108442407016657D+00      5.090945108670388D-01
        9.552945481641465D-01      5.191163687714497D-01

        S     2   1.0
        1.871317213379940D-01      5.225198765831604D-01
        7.209598650018188D-02      5.176982548139625D-01

        P     9   1.0
        1.200928279101663D+04      9.083195020618228D-04
        2.847401888034788D+03      7.755886056457762D-03
        9.225290291263347D+02      4.060017207253743D-02
        3.502002078849687D+02      1.456724793935791D-01
        1.462800691615663D+02      3.397298858349669D-01
        6.493827977634784D+01      4.277107016580198D-01
        2.968341691740027D+01      1.998060729869509D-01
        1.340216559878947D+01      1.765829919542281D-02
        6.258288335148135D+00      9.788849511444261D-04

        P     3   1.0
        2.441768021116800D+00      1.355607482000619D+00
        9.830926884984949D-01     -5.681339707937948D-01
        2.268755076281387D-01      1.883834408350293D-01

        P     1   1.0
        7.214945990030488D-02      9.999999999999998D-01

        D     5   1.0
        3.089734253231580D+02      3.171196242053371D-03
        9.149345489299923D+01     -4.043217461811148D-02
        3.360063771172553D+01      1.025588528405381D+00
        1.327347896060698D+01      0.000000000000000D+00
        5.358999527744696D+00      0.000000000000000D+00

        D     2   1.0
        1.960131229313790D+00      1.183460991889285D+00
        6.416256020828989D-01     -3.957316612951171D-01

  ENERG=  -0.5757661432431780D+04,  VIR= -0.19617507D+01,
  P.E.=-.1174430781D+05,  K.E.=0.5986646376D+04,

   MP2 optimised.

F   1   1.0 
    1.872671004165476D+00   1.0

 Dr. John Waite,                            e-mail:  [email-masked] * or
 The National Hellenic Research Foundation,*         [email-masked]
 Organic and Pharaceutical Chemistry Institute,  phone:
 Vas. Konstantinou 48,                      phone: ++30-1-7247913(secrtry. Mary)
 Athens 116-35,                             fax:   ++30-1-7247913
 Greece
                                       or
 NCRS "Democritos",                         phone: ++30-1-6513112-5 X219 *
 c/o Dr. G.Kordas,                          e-mail [email-masked] 
 Material Science Institute,
 Aghia Paraskevi,
 Attikis,
 Athens 153-10,
 Greece

On Mon, 24 Nov 1997, Isabel Rozas wrote:

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