%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 -1.59110567 -0.01607314 0.02995811
C -2.36859812 -0.40445781 1.65721678
C -2.37416241 1.58451223 -0.44773559
C -2.37063924 -1.23257385 -1.11744291
H -2.03000781 0.33716618 2.38834842
H -2.01143649 -1.3865443 1.98487775
H -3.46566267 -0.40497178 1.61038704
H -3.47124072 1.53736566 -0.44103493
H -2.02059251 1.85553713 -1.44826462
H -2.03197583 2.35642859 0.24946297
H -3.46787076 -1.20090351 -1.08402629
H -2.02125403 -2.23505211 -0.84867951
H -2.02365727 -1.01735685 -2.13346033
Zn 0.87474253 -0.00037391 -0.00307453
Cl 1.26847688 -2.16034332 0.65844211
Cl 1.1706051 0.50142909 -2.22532802
Cl 1.25747702 1.67116872 1.52012756

-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


