%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
C 0.00039603 1.30296386 0.00181706
C -1.19527168 2.06947948 -0.03058502
C -1.20529668 3.47101513 -0.03336161
C -0.00259185 4.18819636 -0.00309835
C 1.20168208 3.47350605 0.02995197
C 1.19456174 2.0720854 0.03228427
H -2.15053478 1.54694539 -0.05456259
H -2.15562317 4.00730143 -0.05913791
H -0.00368752 5.2781273 -0.00499863
H 2.15086172 4.01189336 0.05415135
H 2.15092473 1.55163338 0.05860181
Pt 0.00263252 -0.76852585 0.00184211
P 0.00327052 -2.97832428 -0.00344348
H 1.1825856 -3.74839412 -0.27327967
H -0.35670151 -3.74840646 1.15176225
H -0.82210676 -3.74260344 -0.89294357

-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


