%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 1.11214497 -0.00450434 -0.00080713
C 1.86034613 -1.20348857 -0.00152649
C 3.25390201 -1.20473484 -0.00186567
C 3.95820029 0.00755405 -0.0014918
C 3.25035211 1.21496171 -0.00077849
C 1.84737154 1.19351628 -0.00044687
H 1.3474552 -2.16241066 -0.00182801
H 3.81788719 -2.13379917 -0.00241801
O 5.32685908 -0.09600543 -0.00187592
H 3.76622274 2.1695895 -0.00047867
H 1.32773301 2.14894891 0.00011089
C 6.09279264 1.09856936 -0.00145719
H 5.89476795 1.70296456 0.89506095
H 7.13847866 0.78355713 -0.00181642
H 5.89441288 1.70382185 -0.89731849
Au -0.93783056 -0.01215466 -0.00030186
P -3.29628966 -0.02556406 0.00033824
H -3.96204912 -1.27066696 -0.00013264
H -3.98584493 0.58413103 1.07156166
H -3.98645533 0.5852689 -1.06984172

-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


