CCL:G: Solvent problem in Gaussian



 Sent to CCL by: "Divya  ." [divya=iitk.ac.in]
 I am running a Dipole solvent calculation in Gaussian as follows:
 #p  6-31g(d,p) b97d SCRF(Dipole,A0=5.5,eps=78.39)
 My molecule is almost linear and approximately 11 Angstroms long.  In
 that case, what is the optimum value of A0 that I should use ?  Moreover,
 is there a default value of A0, where Gaussian itself decides the
 appropriate value for A0 based on the molecule ? If yes, how do I set A0
 to the default value ?
 when I run a calculation without specifying A0:
 #p  6-31g(d,p) b97d SCRF(Dipole,eps=78.39)
 I get the error:
 WANTED A FLOATING POINT NUMBER AS INPUT.
   FOUND AN INTEGER AS INPUT.
   1 2 1.0 3 1.0 4 1.0 9 1.0
 I am fairly new to Gaussian usage and thus some of my questions may be
 too basic but any assistance will be very helpful
 divya
 divya .. iitk.ac.in