%mem=3200MB
%nprocshared=4
#p opt freq b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(xqc,maxcyc=1000,conver=8,nosym)

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
 P                 -0.00028600    0.00063700   -0.61379400
 C                  0.42071000   -1.58188100    0.28290000
 C                 -1.58110500    0.42670300    0.28365200
 C                  1.16087900    1.15444800    0.28355500
 H                 -0.28648600   -2.36932100   -0.00226400
 H                  1.42462200   -1.91546500   -0.00408400
 H                  0.38911900   -1.45982800    1.37419600
 H                 -1.46028300    0.39246300    1.37505300
 H                 -1.90979100    1.43253900   -0.00208900
 H                 -2.37107100   -0.27652200   -0.00397800
 H                  1.07162000    1.06445400    1.37476900
 H                  2.19597700    0.93550200   -0.00326000
 H                  0.94767600    2.19099900   -0.00207300

-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

