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maruimin

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[交流] 【求助】溶剂计算激发态出错

在溶剂THF中计算激发态出现这样的错误：

*************************************************
Gaussian 03:  IBM64-RS6000-G03RevB.05 24-Oct-2003
                  5-Oct-2009
*************************************************
%rwf=/sduhome/sdwl_ljc/tmp/5.rwf,20gb
%CHK=5.CHK
%mem=2500mw
----------------------------------------------------------------------
# b3lyp/3-21g* td(nstates=50) scrf=(solvent=THF) geom=checkpoint guess
=read
----------------------------------------------------------------------
1/29=2,38=1/1;
2/40=1/2;
3/5=5,7=1,11=2,16=1,25=1,30=1,70=2201,72=20,74=-5/1,2,8,3;
4/5=1/1;
5/5=2,38=6,53=20/2;
8/6=1,10=1,27=2684354560/1;
9/27=2684354560,41=50,42=1/14;
6/7=2,8=2,9=2,10=2/1;
99/5=1,9=1/99;
-------------------
Title Card Required
-------------------
Redundant internal coordinates taken from checkpoint file:
5.CHK
Charge =  0 Multiplicity = 1
  ------------------------------------------------------------------------------
  ------------------------------------------------------------------------------
Polarizable Continuum Model (PCM)
=================================
Model             : PCM.
Atomic radii       : UA0 (Simple United Atom Topological Model).
Polarization charges : Total charges.
Charge compensation  : None.
Solution method    : Matrix inversion.
Cavity             : GePol (RMin= .200 OFac= .890).
                     Default sphere list used, NSphG= 69.
                     Tesserae with average area of  .200 Ang**2.
Solvent             : THF, Eps= 7.580000.
------------------------------------------------------------------------------
Excessive number of vertices on a tessera.
Error termination via Lnk1e in /usr/local/g03/l301.exe at Mon Oct  5 08:40:38 2009.
Job cpu time:  0 days  0 hours  0 minutes  2.3 seconds.
File lengths (MBytes):  RWF=  11571 Int=    0 D2E=    0 Chk=    50 Scr=    1

该怎么解决呢？希望大家能给些帮助

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