%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 2.579877 -0.007476 -0.004304
H 3.20248 0.828247 -0.950916
H 3.199716 -1.246162 -0.256979
H 3.203729 0.391961 1.192978
Ta -0.138071 -0.000665 -0.000211
C -1.004396 1.918408 0.516473
C -1.017705 -0.509726 1.91522
C -1.036113 -1.907547 -0.51174
C -1.025781 0.518966 -1.90943
H -0.700721 2.1847 1.539865
H -2.096115 1.993211 0.453149
H -0.573029 2.659642 -0.176211
H -0.716611 -1.533609 2.183473
H -2.110093 -0.446389 1.979477
H -0.593142 0.182119 2.66051
H -2.128868 -1.961803 -0.446649
H -0.616633 -2.656495 0.179594
H -0.738651 -2.178284 -1.535919
H -0.72731 1.542822 -2.179033
H -2.118142 0.453037 -1.970713
H -0.601624 -0.172928 -2.655786

-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


