%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
Xe -2.53039384 0.00035319 -0.0341686
Ag 0.28263654 -0.00002913 -0.01188438
C 2.3883053 -0.00012318 0.00489417
N 3.22680905 1.06321271 0.01478789
C 4.55936554 0.68005421 0.02611658
C 4.55941768 -0.68019747 0.02355439
N 3.2268923 -1.0634182 0.01075017
H 5.37085152 1.39134832 0.03511812
H 5.37096015 -1.39145606 0.02987146
H 2.90893903 2.0236524 0.01299967
H 2.90909872 -2.02386979 0.00531853

-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


