%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 1.08552027 -0.00906363 0.03399292
C 1.75101361 0.0010883 1.74350553
C 1.80770265 -1.47568605 -0.79853866
C 1.7839899 1.46459664 -0.80643528
H 1.42187354 -0.89286051 2.28226643
H 1.39975902 0.8871426 2.28132787
H 2.84608166 0.01470176 1.71205664
H 2.90116274 -1.42311974 -0.75510075
H 1.49489571 -1.50724948 -1.84683952
H 1.47591003 -2.39338176 -0.30306268
H 2.87806166 1.43194444 -0.75851814
H 1.4340501 2.37950738 -0.31835211
H 1.4743616 1.48342507 -1.85597019
Zn -1.28268478 -0.02661494 -0.01047009
C -3.22034819 -0.03886355 -0.0492038
H -3.58522044 -1.07193435 -0.05093734
H -3.6126451 0.47906443 0.83296774
H -3.57664716 0.46938889 -0.95204659

-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


