%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
O -1.93038225 -0.48964751 0.68981002
C -2.57860791 -1.49407655 -0.01534798
H -2.12271839 -2.4997945 0.11655597
H -3.63357661 -1.57907042 0.33097087
H -2.62147855 -1.31532739 -1.11211654
Pt 0.03931074 -0.03039614 0.33273902
P 2.08908955 0.48106434 -0.00628726
H 2.5110749 1.78827435 -0.43636718
H 3.09949153 0.39147909 1.01493384
H 2.87541499 -0.20794627 -0.9882244

-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


