%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
B 1.06453457 0.17444714 -0.17805334
O 1.96835361 -0.04180688 0.87930653
C 3.29762828 0.26692487 0.44828037
C 3.19428804 0.33440126 -1.08687641
O 1.7940624 0.48543827 -1.34109505
H 3.98881292 -0.50888832 0.80089865
H 3.60439668 1.23014462 0.88344441
H 3.74083087 1.18171423 -1.51967258
H 3.55095351 -0.59049401 -1.5650165
Au -1.00824435 0.054037 -0.04398399
C -3.09615861 -0.06745505 0.09110855
N -4.26532583 -0.1358503 0.16655777

-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


