%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
O -0.12375191 0.01367568 0.11185564
C 0.05100759 -0.01390653 1.46607575
C 1.37915985 -0.0062265 1.77390469
C 2.07982485 0.02738721 0.51902159
C 1.12073781 0.0384556 -0.45000568
H -0.85327626 -0.03555674 2.05551549
H 1.80961523 -0.02308929 2.7659752
H 3.15021781 0.04194108 0.36443688
H 1.14806801 0.06122145 -1.52912466

-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


