%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
O 0.46237327 -0.00231244 -0.65552034
Ag -1.08922521 0.00122373 0.45525117
C -2.75069647 0.00501031 1.64467999
N -3.46303101 -1.05717665 2.1556919
C -4.54747525 -0.67148262 2.93363506
C -4.54546343 0.68968738 2.93211195
N -3.46038967 1.07043519 2.15261527
H -5.21402273 -1.37452785 3.41099405
H -5.20999236 1.39576448 3.40780574
H -3.17991666 -2.00537245 1.95591779
H -3.17491648 2.01734328 1.9501073

-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


