%nproc=4
%mem=6400mb
#p p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:

 1 1
 15           0        0.370910    0.090575    0.000000
 17           0        1.249753    1.023557    1.621715
 17           0        1.249753    1.023557   -1.621715
 17           0        1.249753   -1.786621    0.000000
 19           0       -3.647425   -0.304579    0.000000

-H -C -N -O -P -B -S -Al -Cl -He -F 0
6-31+g*
****
-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb 0
sdd
*******************

-Pd -Os -Au -W -Fe -K -Ti -Cu -Co -Pt -Ag -Cr -V -Sc -Mn -Hf -Ir -I -Br -Ta -Zn -Zr -Mo -Re -Ru -Rh -Ru -Ni -Nb 0
sdd





