%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 1.156117 0.151356 -0.158343
O 2.047859 -0.052942 0.906446
C 3.383073 0.240578 0.478035
C 3.287621 0.28639 -1.058665
O 1.887619 0.439318 -1.321392
H 4.064693 -0.535868 0.846185
H 3.691901 1.20739 0.902214
H 3.837081 1.126076 -1.501425
H 3.640268 -0.646451 -1.522864
W -1.180641 0.030534 -0.016755
C -0.993035 -1.385179 -1.496612
C -1.19999 1.506647 -1.452518
C -3.21562 -0.07474 0.106143
C -0.875664 -1.430548 1.402007
C -0.963433 1.467109 1.438755
O -0.827586 -2.181 -2.332357
O -1.177161 2.342774 -2.263145
O -4.383867 -0.13512 0.176604
O -0.670001 -2.254611 2.19911
O -0.781647 2.280828 2.253608

-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


