%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
I 1.25200569 -0.00280335 -0.82336276
Ag -0.96972872 0.00164861 0.59178969
C -2.74655897 0.00521769 1.72567201
N -3.46311617 -1.05365145 2.18349492
C -4.58836333 -0.67074058 2.90174731
C -4.5868324 0.68876993 2.89971445
N -3.46001113 1.0670515 2.18147272
H -5.273205 -1.37939886 3.34082445
H -5.26998847 1.4002544 3.33683632
H -3.18641327 -2.00901807 2.00449417
H -3.18054424 2.02126257 2.00060659

-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


