%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
O -2.298247 -0.00033 -0.000027
H -2.876772 -0.789366 -0.005732
H -2.876986 0.788553 0.005237
Ta -0.088832 -0.000016 0.000019
C 0.802375 -0.011544 1.980043
C 0.807915 1.974816 0.011437
C 0.80243 0.011742 -1.980054
C 0.808544 -1.974523 -0.011509
H 0.459411 0.875517 2.533983
H 1.8989 -0.012563 1.992031
H 0.457809 -0.904045 2.524147
H 0.464806 2.522816 -0.879167
H 1.904051 1.98483 0.013005
H 0.462277 2.513306 0.906852
H 1.898953 0.013266 -1.992081
H 0.457443 0.904026 -2.524234
H 0.459895 -0.875534 -2.533911
H 0.465584 -2.522563 0.879146
H 1.904683 -1.984191 -0.013069
H 0.463075 -2.513161 -0.906887

-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


