%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 2.96774438 0.05353498 -0.8106449
C 1.70089589 -0.3523495 -0.57422588
N 1.14993074 0.40427913 0.37102036
C 2.11078467 1.33049212 0.74885809
C 3.24859657 1.12129645 0.01804955
H 1.22515607 -1.17354439 -1.08959509
H 3.60072131 -0.35869872 -1.48482269
H 1.91818297 2.07170161 1.50954197
H 4.20488454 1.62132098 0.01363774
Ag -0.82157511 0.23352893 1.15535043
C -2.75207791 0.06632946 1.92336624
N -3.19901203 -0.73955361 2.91798616
C -4.5547032 -0.57680113 3.16270364
C -4.98260701 0.37082685 2.28626058
N -3.86754222 0.74065639 1.5489733
H -5.0831506 -1.13526249 3.91972658
H -5.95834783 0.80321516 2.12708205
H -2.59933385 -1.38103464 3.41947999
H -3.87160317 1.4348284 0.81360048

-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


