%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:

0 1
He 0.93074033 -0.01888307 -0.01920924
Fe -0.94565872 0.00477515 -0.00020044
C -2.71833126 0.02736565 0.01546652
C -0.91153371 -1.30906781 1.27345466
C -0.92808231 -0.44264316 -1.77441123
C -0.87920481 1.76368566 0.50054091
O -3.8696221 0.04260968 0.02526118
O -0.92320217 -2.13657172 2.07594091
O -0.94849348 -0.72405169 -2.89210349
O -0.86931517 2.87213382 0.8170001

-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


