%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
5D 7F scf=nosym 

Bitartekari zentralaren dobletea base handiagoa erabiliz:

-1 1
C -0.55046399 -0.17485359 -0.01692317
C -0.30137173 -0.07620911 1.38069373
C 0.96978634 -0.00268482 1.9775643
C 2.11205902 -0.02456528 1.17068021
C 1.96089058 -0.11994308 -0.21542327
C 0.65496265 -0.19123304 -0.75812418
H -1.15158005 -0.05348955 2.0742908
H 1.09730317 0.07128421 3.05997683
O 3.34386597 0.05330006 1.83776713
H 2.82626088 -0.1404499 -0.87858476
H 0.61030762 -0.26486608 -1.85260172
C 4.50822435 0.03311246 1.0498423
H 4.54858893 0.88319894 0.34865187
H 5.35300936 0.10181868 1.74441606
H 4.59689209 -0.89821879 0.46608412

-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


