%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 0.93857539 -0.00299495 0.03366291
C 1.72794106 0.07344558 1.70257615
C 1.76766765 -1.47440151 -0.71601832
C 1.7655799 1.39497356 -0.847269
H 1.40143047 -0.78544234 2.29704154
H 1.40388944 0.98462322 2.21487579
H 2.82258109 0.0682405 1.62580864
H 2.86017556 -1.38841717 -0.65839325
H 1.46513499 -1.56540541 -1.76379391
H 1.44614616 -2.37833914 -0.18950362
H 2.85821365 1.31779047 -0.78102515
H 1.44101771 2.3425467 -0.40638544
H 1.46414484 1.38873862 -1.89932001
Pt -1.3294219 -0.00252761 -0.0038094
P -3.5854423 0.00557262 -0.04635117
H -4.2889472 -1.08661225 -0.61410159
H -4.3190863 0.07705012 1.16474159
H -4.27667921 1.03605831 -0.73209327

-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


