%nproc=4
%mem=3400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 6
 8      -1.116725      -0.000206      -0.000428
 6      -1.960674      -1.143601      -0.000480
 6      -3.239501      -0.726026       0.000435
 6      -3.239921       0.724046       0.000694
 6      -1.961269       1.142306      -0.000581
 1      -1.445587      -2.091936      -0.002327
 1      -4.110298      -1.367990       0.000974
 1      -4.111107       1.365475       0.000569
 1      -1.447052       2.091106       0.002019
 26       0.878641       0.000011      -0.000371
 17       1.754807      -1.919649       0.000473
 17       1.751744       1.921081       0.000198

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 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 -Xe -Sn -In -Y -Ga -Hg 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 -Xe -Sn -In -Y -Ga -Hg 0
sdd


