%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 -1.81358551 0.00061823 0.00183512
C -2.52867982 -1.62067857 -0.46984698
C -2.53142475 0.40273668 1.6407027
C -2.5301196 1.2183851 -1.1668478
H -2.19866159 -2.39242235 0.23186195
H -2.19759178 -1.89623258 -1.47555313
H -3.62275702 -1.56432416 -0.45425291
H -3.62539853 0.39128193 1.58128163
H -2.19957931 1.394967 1.96043829
H -2.20429799 -0.33226537 2.38208117
H -3.62408502 1.17463013 -1.12564582
H -2.19977339 0.9965233 -2.1859167
H -2.20069867 2.22775832 -0.90315734
Au 0.53967453 0.00100479 0.00205495
P 2.90765243 -0.00011487 -0.00037941
H 3.53814692 0.17089488 1.24504741
H 3.53418691 -1.16588485 -0.47596755
H 3.5357662 0.99288639 -0.77319557

-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


