%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:

0 1
P 1.811833 -0.0000612 0.0000869
H 2.50565599 -0.55401061 -1.10027566
H 2.50506238 -0.67568064 1.03062203
H 2.5044363 1.23055795 0.07053633
Cu -0.42483707 -0.00063735 -0.00018669
C -2.35254187 -0.00011255 0.00000869
H -2.75261223 -1.02539539 -0.00508143
H -2.75195489 0.50836231 0.89064361
H -2.75201065 0.51718398 -0.8855068

-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


