%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
N 1.01788485 -0.04426926 0.01402637
H 1.14699276 -0.77032127 -0.69158654
H 1.2965248 0.83022651 -0.43237999
Ag -0.83803094 -0.00804818 0.85785472
C -2.67519244 -0.00022969 1.8424917
N -3.42843448 -1.05632451 2.2531675
C -4.61794041 -0.66909339 2.85785519
C -4.62377388 0.68969961 2.83218569
N -3.43775037 1.0640723 2.21288326
H -5.33723524 -1.37463724 3.2436608
H -5.34916857 1.40305299 3.19127163
H -3.1276948 -2.01161625 2.12135204
H -3.14725327 2.01608075 2.04050753

-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


