%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
S 3.15827859 0.00053999 -0.06148646
H 3.3700334 -0.00315915 1.27669193
Ag 0.80523478 -0.00082908 0.01866673
C -1.30529 -0.00106619 0.01891719
N -2.1554678 -1.06060759 0.02001474
C -3.49092821 -0.67980267 0.01879162
C -3.490235 0.67993299 0.01747324
N -2.154403 1.05938574 0.01796606
H -4.30394497 -1.38907 0.01886119
H -4.30255179 1.39000443 0.01619854
H -1.82270367 -2.01485974 0.0195403
H -1.82066733 2.01329626 0.01579192

-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


