%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
B -1.260135 0.009806 -0.037984
O -2.055789 -1.132895 -0.028751
C -3.436843 -0.752865 -0.12595
C -3.433224 0.773138 0.102137
O -2.055141 1.152883 -0.033795
H -4.016784 -1.299828 0.62648
H -3.810023 -1.025404 -1.122854
H -4.033901 1.320844 -0.633336
H -3.777632 1.045312 1.109326
Al 0.877407 -0.000301 -0.008616
Cl 1.6895 -1.608222 -1.277732
Cl 1.711775 1.90843 -0.721676
Cl 1.577766 -0.327146 2.060634

-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


