%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 0.89435302 0.0077698 0.00754912
C 1.67076421 0.00583898 1.69193747
C 1.74710577 -1.4354277 -0.78646882
C 1.77171757 1.4320725 -0.7938722
H 1.35155518 -0.87672052 2.2568479
H 1.36853916 0.8980974 2.25094021
H 2.76466997 -0.00470848 1.61762488
H 2.83577499 -1.34727428 -0.69015135
H 1.49522752 -1.48734617 -1.85129296
H 1.43061482 -2.37143729 -0.31355042
H 2.85879258 1.32490654 -0.69858493
H 1.47265491 2.3755693 -0.32446877
H 1.51944029 1.48408822 -1.8585842
K -2.45369099 0.03577992 -0.1272828

-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


