%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 1.46123793 -0.0006614 -0.00000008
H 2.04475843 1.27858923 -0.00000008
H 2.07053979 -0.6281507 -1.10096234
H 2.07053979 -0.6281507 1.10096217
Zn -0.95434337 -0.03397822 -0.00000008
C -2.89285462 -0.06056205 -0.00000008
H -3.23503466 -1.10038436 -0.00000008
H -3.25618225 0.4520877 0.89638929
H -3.25618225 0.4520877 -0.89638945

-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


