%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
S 1.24198997 0.06334031 -0.35210715
C 1.47160338 -1.61798 -0.29312696
N 1.64632555 -2.77641687 -0.26080481
Ag -0.85524007 0.05222707 0.79165287
C -2.70143388 0.0424515 1.79857696
N -3.3755005 -1.03226613 2.28216305
C -4.57157932 -0.68293757 2.89413088
C -4.66094503 0.66993349 2.79452222
N -3.51393433 1.07925578 2.12668881
H -5.23678749 -1.40801406 3.33649168
H -5.41933093 1.358622 3.13277363
H -3.02307414 -1.97587088 2.19352922
H -3.2874162 2.03727974 1.89879948

-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


