%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
C 1.03080281 -0.00457965 -0.00086741
C 1.7978389 -1.19674907 -0.00071376
C 3.19509393 -1.20684744 -0.00092271
C 3.90276566 0.00033242 -0.0013018
C 3.19678 1.20660479 -0.00147793
C 1.79045502 1.18336121 -0.00125506
H 1.28499206 -2.15711613 -0.00041127
H 3.75550767 -2.13980259 -0.00079459
O 5.28697284 -0.10447238 -0.00151361
H 3.71314544 2.16262571 -0.00179302
H 1.2758988 2.14296494 -0.00140259
C 6.03612627 1.09233433 -0.00149688
H 5.83278708 1.70114329 0.89295906
H 7.08833976 0.7931636 -0.00142669
H 5.83290932 1.70109962 -0.89601245
Au -1.03832783 -0.00568212 -0.00054121
C -3.07502578 -0.00188584 0.0005181
N -4.24818858 0.00256424 0.00114016

-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


