%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
C 1.03230631 -0.00100081 -0.14844551
H 1.38206486 1.02278436 -0.34357562
H 1.80105129 -0.50602541 0.45353728
H 0.97038109 -0.52107117 -1.11499252
Ag -0.83165032 0.00239446 0.83689625
C -2.72150449 0.00583769 1.83598703
N -3.4771861 -1.05199053 2.23397674
C -4.65821201 -0.67078808 2.85882745
C -4.65540018 0.68878425 2.85995219
N -3.47306263 1.06613591 2.2352453
H -5.37827182 -1.37895713 3.23866873
H -5.37255931 1.39929963 3.24089608
H -3.18372165 -2.00599065 2.07693449
H -3.17588606 2.01918084 2.07938201

-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


