%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
O 0.76178127 0.23743637 -0.10132489
C 1.6039405 1.34764401 -0.22067204
H 1.95106931 1.74546508 0.75427645
H 2.50939555 1.06276791 -0.78813531
H 1.14086422 2.19573683 -0.76482874
Ag -0.99108351 0.25271129 0.89149181
C -2.81454125 0.08909249 1.84908968
N -3.38910419 -1.0187758 2.38999605
C -4.63953464 -0.76342858 2.93804631
C -4.87052693 0.56120802 2.73927064
N -3.74979875 1.04892603 2.07943965
H -5.2403192 -1.52586467 3.40891901
H -5.7128135 1.18191825 3.00229577
H -2.93135819 -1.91945102 2.38040203
H -3.618789 2.00641516 1.78502346

-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


