%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 1.4501787 0.0132811 -0.00820836
Cl 2.33700645 1.89345838 -0.00873065
Cl 2.42225837 -0.87431058 -1.61763121
Cl 2.43815222 -0.88077001 1.58925372
W -1.01228996 -0.01644522 0.00573168
C -1.04204188 -1.46875028 -1.48402162
C -1.01869756 1.47391056 -1.44532238
C -3.06579393 -0.00610295 0.01825175
C -1.02488401 -1.50688253 1.45780984
C -0.99995372 1.43602384 1.49471497
O -1.06562442 -2.27211971 -2.30856956
O -1.02913689 2.29956782 -2.24854253
O -4.21920568 0.0016289 0.02533659
O -1.03958557 -2.33251228 2.26029054
O -0.99991712 2.23994824 2.31976723

-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


