%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:

-2 1
C 0.72039849 0.0937156 -0.02860081
C 1.36542263 1.30271928 -0.34784756
C 2.76017943 1.39718842 -0.38803292
C 3.54578787 0.2741539 -0.10717032
C 2.93094791 -0.94047432 0.21321412
C 1.52661423 -1.01651744 0.24875033
H 0.75166957 2.17192171 -0.56517316
H 3.25690866 2.33484802 -0.63561408
O 4.93561947 0.4650176 -0.17215564
H 3.51549631 -1.83024029 0.43620536
H 1.04340795 -1.95707434 0.49689339
C 5.75143811 -0.64462213 0.10499463
H 5.57713481 -1.47322212 -0.60160403
H 6.78764728 -0.30064454 0.00449542
H 5.5966985 -1.02688934 1.12781925
Pt -1.28327585 -0.03146961 0.02634839
F -3.36693464 -0.15471901 0.08164739
F -1.15368393 -1.06206818 1.73101119
F -1.36725 1.00110151 -1.67911405
F -1.1842083 -1.75898275 -0.96897709
F -1.3366895 1.69790405 1.02047817

-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


