%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 -0.50539176 0.0094125 -0.0028588
C -1.22328445 -1.19905139 0.03509782
C -2.62287944 -1.2119524 0.03686361
C -3.33923238 -0.00893775 0.00065128
C -2.63981136 1.20145157 -0.03806913
C -1.23763738 1.20797511 -0.03969812
H -0.6821906 -2.14206706 0.06302435
H -3.15608222 -2.16181151 0.06656297
H -4.42825735 -0.0165894 0.00196494
H -3.18510975 2.14450335 -0.06709736
H -0.70331385 2.15395126 -0.07036919
Cr 1.51200479 0.00173546 0.00052213
O 1.88236628 1.55560751 -0.08804287
O 1.88725678 -0.7014913 1.38770747
O 1.89096428 -0.85611416 -1.29564913

-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


