%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:

2 1
O 1.25280624 0.03636909 -0.51125197
C 2.09560492 1.12522442 -0.16757484
C 3.30342341 0.61886925 0.21843494
C 3.2585791 -0.82119506 0.17067198
C 2.05027174 -1.20914846 -0.28253592
H 1.65987435 2.11347628 -0.27056682
H 4.17869009 1.22400999 0.44309759
H 4.08181573 -1.49621654 0.39113683
H 1.56853472 -2.11156299 -0.64280678
Os -0.73138667 -0.00895132 0.0297108
O -1.11764502 1.52620951 -0.61477236
O -1.0266844 -0.03310546 1.6918709
O -1.61752221 -1.20274271 -0.77733434

-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


