CCL:G: Comparison with G03



 Sent to CCL by: Arvydas Tamulis [tamulis(a)itpa.lt]
 Dear Colleagues,
 
maybe somebody can run for me one single point calculation using G03 for comparison with my done calculations with TURBOMOLE, ORCA and GAMESS-US:
 #P B3LYP/6-31+G(d) IOp(6/12=3) SCF=tight DIIS Pop=Full
 Guanine-Cytosine stacking with 101 H2O molecules after PM3 optimization
 0 1
 n
 c   1 cn2
 c   2 cc3        1 ccn3
 n   3 nc4        2 ncc4         1 dih4  ...
 Thanking your in advance.
 With best regards,
 Arvydas
 http://www.itpa.lt/~tamulis/