%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
-1 1
C -0.988263 0.010424 -0.000986
C -1.718498 -1.19702 -0.000264
C -3.117916 -1.222042 0.000691
C -3.839314 -0.02242 0.000839
C -3.145752 1.192099 -0.000058
C -1.744469 1.200224 -0.00106
H -1.183218 -2.146096 -0.000967
H -3.646365 -2.174833 0.00113
H -4.928334 -0.035245 0.001453
H -3.695424 2.132892 -0.00022
H -1.225761 2.157575 -0.00227
Al 0.998818 0.009819 -0.00028
Cl 1.756859 -1.003761 1.790871
Cl 1.755607 -1.065617 -1.755486
Cl 1.72399 2.079406 -0.034825

-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


