%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
O 1.04150585 0.04054447 -0.04322085
C 1.80745788 1.20776295 -0.09164935
C 3.0926742 0.88660208 0.1732251
C 3.14742683 -0.53824847 0.40402216
C 1.89312768 -1.02169796 0.26947356
H 1.25998432 2.10584065 -0.33147476
H 3.92306136 1.57838512 0.19614355
H 4.02687586 -1.1234081 0.63377799
H 1.41727388 -1.9878772 0.33153859
Cr -0.97052572 -0.02984032 -0.00023769
O -1.29036958 -1.48283327 -0.5409876
O -1.39729396 0.19840289 1.50334495
O -1.3915191 1.14907319 -0.96916936

-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


