%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 1.00226506 -0.08270645 -0.04989924
C 1.81244514 -1.14966134 -0.20071881
H 2.77803324 -1.09385209 -0.71522223
H 1.55771102 -2.13987402 0.1806964
H 1.39120624 0.84622471 -0.48727607
Ag -0.84887455 -0.04323108 0.89579998
C -2.74132392 -0.00278207 1.86427084
N -3.53209819 -1.04615726 2.23043725
C -4.7121999 -0.64270409 2.84237298
C -4.67202196 0.71597062 2.86766113
N -3.46939126 1.07131592 2.2696517
H -5.45726486 -1.33732272 3.1980952
H -5.37489233 1.43973135 3.25013887
H -3.26439825 -2.00553478 2.06056035
H -3.14412788 2.01861378 2.13672153

-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


