%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
P 2.58090971 0.00678502 -0.00756747
H 3.19808778 0.88843842 -0.91526924
H 3.20635434 -1.21583907 -0.31804457
H 3.2045711 0.35345725 1.20614092
Ta -0.13703072 0.00010425 0.00018914
C -1.01185914 1.88896047 0.60617361
C -1.01140035 -0.60131366 1.8911018
C -1.02659802 -1.8854444 -0.59790471
C -1.03002378 0.60314694 -1.8818476
H -0.70798143 2.10911023 1.6404147
H -2.10401831 1.96127153 0.54772545
H -0.58508774 2.66354478 -0.05200736
H -0.70497407 -1.63502406 2.11132576
H -2.10398737 -0.54636157 1.95956754
H -0.58909686 0.05738372 2.66707699
H -2.11898232 -1.94799857 -0.53404543
H -0.6024984 -2.66351009 0.05752096
H -0.72932714 -2.1070562 -1.63387894
H -0.73689496 1.63982666 -2.10416208
H -2.12214265 0.53478051 -1.94476803
H -0.60361966 -0.05139816 -2.65993743

-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


