%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:

-1 1
C 0.06720484 -1.43812711 -0.10634589
C 1.20828333 -2.12102497 0.38147738
C 1.27913146 -3.51648926 0.48423454
C 0.18825164 -4.31077136 0.11776423
C -0.97637327 -3.67502582 -0.32361921
C -1.02935914 -2.27856745 -0.42079947
H 2.06881527 -1.5523211 0.72704893
H 2.18833458 -3.98154394 0.8659306
H 0.23643392 -5.39563964 0.19609752
H -1.85532353 -4.26558761 -0.58302217
H -1.97535853 -1.83504441 -0.72411002
Ru -0.08955918 0.67675815 -0.11896137
S -0.31959383 3.22063582 -0.02605797
S 2.06504745 1.01684174 -0.56938074
S -0.87950341 0.50412392 1.97485031
S -1.42204053 0.74138057 -1.89811134
H -0.95930045 3.34328577 1.16170497
H 2.54161344 -0.2281717 -0.85152668
H -0.87931526 -0.83437879 2.2215948
H -1.43295479 -0.5479628 -2.34126843

-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


