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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
P 2.58091 0.006785 -0.007567
H 3.198088 0.888438 -0.915269
H 3.206354 -1.215839 -0.318045
H 3.204571 0.353457 1.206141
Ta -0.137031 0.000104 0.000189
C -1.011859 1.88896 0.606174
C -1.0114 -0.601314 1.891102
C -1.026598 -1.885444 -0.597905
C -1.030024 0.603147 -1.881848
H -0.707981 2.10911 1.640415
H -2.104018 1.961272 0.547725
H -0.585088 2.663545 -0.052007
H -0.704974 -1.635024 2.111326
H -2.103987 -0.546362 1.959568
H -0.589097 0.057384 2.667077
H -2.118982 -1.947999 -0.534045
H -0.602498 -2.66351 0.057521
H -0.729327 -2.107056 -1.633879
H -0.736895 1.639827 -2.104162
H -2.122143 0.534781 -1.944768
H -0.60362 -0.051398 -2.659937

-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


