%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 1.125974 0.210424 -0.152403
O 1.852035 0.213148 0.956716
C 3.249836 0.273715 0.45461
C 3.119151 0.311643 -1.101257
O 1.657004 0.268556 -1.365637
H 3.759988 -0.615261 0.827225
H 3.697557 1.174261 0.876567
H 3.493092 1.233744 -1.547788
H 3.557217 -0.555742 -1.596334
Os -1.111461 -0.009618 0.029803
O -1.174238 -1.708289 -0.010724
O -1.353863 0.758161 1.524532
O -1.595755 0.836131 -1.36041

-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


