%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 1.49756412 -0.00024187 0.0000017
H 2.10363534 1.26747712 -0.0000062
H 2.11274549 -0.62967888 -1.09539648
H 2.1127755 -0.62967943 1.09538291
Au -0.85504329 -0.01087795 0.00003601
P -3.20893612 -0.02014887 0.00000157
H -3.81746187 -1.28677013 -0.00000618
H -3.82335798 0.61020729 1.0954136
H -3.82332769 0.61020768 -1.09542758

-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


