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

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
-1 1
F 0.000123 0.000019 -2.268236
W 0.00001 0.000013 -0.15091
C 0.299784 2.048535 -0.120345
C 2.048548 -0.299814 -0.121148
C -0.000083 0.000011 1.852624
C -2.048536 0.299761 -0.121291
C -0.299825 -2.048502 -0.120377
O 0.467556 3.195174 -0.026721
O 3.195242 -0.467626 -0.028453
O -0.000135 -0.000011 3.031174
O -3.195248 0.467479 -0.028642
O -0.467561 -3.195147 -0.026768

-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


