%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
Ag -3.19339345 0.43083203 0.00047105
C -1.1019215 0.12799916 0.00021685
N -0.42875214 -1.04529408 0.00038928
C 0.94463863 -0.85588486 0.00007744
C 1.13962199 0.49066096 -0.00018775
N -0.12350507 1.06212806 0.00004644
H 1.64568105 -1.67645593 0.00009898
H 2.04471714 1.07853028 -0.00044749
H -0.88017031 -1.95105633 0.00063244
H -0.29930835 2.05876171 0.00002775

-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


