CCL:G: Problem in Gaussian-03 calculation



 Sent to CCL by: Sergio Emanuel Galembeck [segalemb~!~usp.br]
 Dear Hemant,
   Probably you forgot to indicate the basis set, otherwise G03 will
 use STO-3G by defaut. Also you put opt=modredundant, but did not
 indicate the changes in redundant coordinates on the last line
 of your input file.
    Best regards,
                  Sergio Galembeck
 Citando "Hemant Kumar Srivastava hemantkrsri[*]md.huji.ac.il"
 <owner-chemistry()ccl.net>:
 > Sent to CCL by: "Hemant Kumar Srivastava"
 [hemantkrsri(_)md.huji.ac.il]
 > Dear Researchers,
 >
 > I am working in the Hebrew University of Jerusalem Israel and doing some
 > quantum chemical calculations of some base pairs by using Gaussian-03
 > package. I have finished the calculation at hf/3-21g and hf/6-31g level,
 and
 > now I am trying at b3lyp level by reading the geometry from the chk file of
 > hf/6-31g calculation by using the following keyword.
 >
 > ----------------------------------------------------------------------
 > %chk=eth_g1_test2.chk
 > %mem=25MW
 > %nproc=1
 >  geom=check guess=read opt=modredundant b3lyp nosymm geom=connectivity
 >
 > Title Card Required
 >
 > -1 1>
 >
 >
 >