%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:

-1 1
S 0.89705703 -0.00267611 -0.7247785
Ag -0.9924795 0.00140631 0.53251879
C -2.73094017 0.00516232 1.68929032
N -3.45392523 -1.0551562 2.17089236
C -4.56517276 -0.67141166 2.91204108
C -4.56353364 0.68953522 2.91015342
N -3.45133141 1.06855289 2.1680041
H -5.24653152 -1.37605935 3.36482072
H -5.24319069 1.39707021 3.36098253
H -3.16512693 -2.00428561 1.98241287
H -3.16021419 2.01645435 1.9769522

-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


