%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 1.05061435 0.00127888 0.1290175
C 2.16162111 0.00028116 -0.39093211
H 3.12973913 -0.00005016 -0.84421324
Ag -0.78951352 0.00353835 0.98904019
C -2.69397285 0.00587682 1.87912962
N -3.4681963 -1.0534159 2.23323841
C -4.67703477 -0.67207784 2.80056227
C -4.67213677 0.68739068 2.8084164
N -3.46053631 1.06654149 2.24546845
H -5.41524528 -1.3812958 3.14115869
H -5.40522617 1.39793044 3.15720718
H -3.17134477 -2.00802489 2.08594987
H -3.15678684 2.02061913 2.10924663

-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


