%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
N 0.58535 0.852785 0.757826
C 1.572164 1.280847 1.247089
S 2.940524 1.877342 1.927226
Ru -1.160758 0.119681 -0.124422
S -0.207003 -1.899745 -0.315617
S -3.191693 -0.734684 -1.157696
S -2.311874 0.643683 1.707766
S -0.956498 1.62442 -1.759263
H 1.005791 -1.65233 0.245174
H -3.870023 0.429928 -1.287833
H -1.324508 1.194108 2.464507
H 0.16199 2.279608 -1.348709

-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


