%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
N 1.12961829 0.00015068 -0.11544815
H 1.46733748 0.94389786 -0.31362606
H 1.10609069 -0.49191158 -1.01059377
H 1.85289857 -0.45335204 0.44595983
Ag -0.81444695 0.00306485 0.88118801
C -2.67207745 0.00584984 1.83354285
N -3.42415241 -1.0556917 2.21405782
C -4.60933706 -0.67174057 2.82350251
C -4.60545102 0.68813097 2.82785432
N -3.41803139 1.06921101 2.22093621
H -5.33369887 -1.38187178 3.19144385
H -5.32575046 1.40001292 3.20035505
H -3.14297194 -2.01573765 2.06550835
H -3.13138447 2.02857948 2.07860905

-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


