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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
C 1.04311424 -0.00721639 -0.00028537
C 1.82318577 -1.19150608 -0.00045304
C 3.2227693 -1.2049368 -0.00090147
C 3.92981043 0.00385192 -0.00121241
C 3.21993789 1.20841514 -0.00105257
C 1.81056876 1.17592204 -0.00058917
H 1.33178907 -2.16872971 -0.00023239
H 3.78639128 -2.13630382 -0.00102527
O 5.30743536 -0.10012179 -0.00168295
H 3.73571112 2.1650479 -0.00128413
H 1.31419041 2.15095318 -0.00048453
C 6.06435351 1.09568022 -0.00189278
H 5.86384411 1.70297288 0.89332002
H 7.11348521 0.78936042 -0.00217571
H 5.86336478 1.70296415 -0.89700498
K -1.70492692 -0.0172937 -0.00035625

-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


