%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:

2 1
P 1.4377489 -0.00128668 -0.00000005
Cl 2.06776439 1.88952042 -0.00000005
Cl 2.10451519 -0.93953453 -1.62802663
Cl 2.10451519 -0.93953453 1.62802654
Zn -0.90954109 -0.03084171 -0.00000005
N -2.89058429 -0.05838361 -0.00000005
H -3.27822586 -1.01364357 -0.00000005
H -3.29810323 0.41086245 0.82250762
H -3.29810323 0.41086245 -0.82250771

-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


