%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
P -1.652041 0.002365 0.002896
Cl -2.427263 -0.020124 1.877289
Cl -2.433113 -1.606222 -0.954166
Cl -2.425542 1.639008 -0.911914
Ta 1.057225 -0.002732 -0.000367
C 1.942259 1.974966 -0.007577
C 1.943039 -0.009988 -1.977561
C 1.940554 -1.980997 0.006537
C 1.949206 0.003631 1.974846
H 1.506315 2.509675 -0.866779
H 3.033673 2.020956 -0.093524
H 1.64434 2.498184 0.91316
H 1.501031 -0.86592 -2.513452
H 3.033757 -0.107811 -2.020961
H 1.656148 0.91305 -2.502182
H 3.029725 -2.030106 0.11571
H 1.659404 -2.503552 -0.919186
H 1.485739 -2.514679 0.857635
H 1.509743 0.860408 2.510982
H 3.040102 0.097993 2.014242
H 1.659826 -0.918209 2.499946

-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


