%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 0.66519351 0.10039992 -0.00642278
C 1.37457659 1.33245308 -0.02440951
C 2.77025456 1.41955579 -0.02410339
C 3.54368823 0.25380623 -0.0056777
C 2.90427816 -0.98893697 0.01191162
C 1.49759682 -1.04274517 0.01101721
H 0.80943357 2.26299329 -0.03906367
H 3.27898875 2.38253064 -0.03799726
O 4.92596899 0.43482595 -0.00675261
H 3.47261337 -1.91584549 0.02608812
H 1.03593345 -2.02883165 0.02496268
C 5.73443713 -0.71944695 0.01522494
H 5.56619793 -1.3551546 -0.86862257
H 6.77116253 -0.36808287 0.01244091
H 5.56059697 -1.32491134 0.91899
Pt -1.40484188 -0.0108427 -0.00254007
P -3.6091185 -0.13071262 0.00884437
H -4.44034173 1.01022277 0.26219655
H -4.36415502 -0.55097841 -1.13637138
H -4.32592046 -0.9804359 0.91526486

-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


