%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 1.493534 0.001118 0.002835
H 2.178944 1.23833 0.020327
H 2.245511 -0.62545 -1.019999
H 2.133723 -0.596073 1.112389
Zr -1.424378 -0.012781 -0.025887
Cl -3.831415 -0.019988 0.06581
Cl -1.057675 2.231199 -1.025136
Cl -0.941657 0.978584 2.211034
Cl -1.080803 -0.994316 -2.278287
Cl -0.97911 -2.261501 0.945691

-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


