%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 0.72607111 -0.0000021 0.0000109
C 1.45007435 -1.11415167 0.45730364
C 2.85166969 -1.12581553 0.46210801
C 3.53147367 -0.00002074 -0.00008238
C 2.85165359 1.12578317 -0.46222784
C 1.45005878 1.11413809 -0.45733064
H 0.896988 -1.97876144 0.81210119
H 3.40448796 -1.99273715 0.81792823
Cl 5.33264019 -0.0000324 -0.00014249
H 3.40446017 1.99269716 -0.8180849
H 0.89696002 1.97875499 -0.81209123
Pt -1.2777359 0.00001006 0.00007639
F -3.35745835 0.00001884 0.00014188
F -1.25304848 -0.792324 1.83037378
F -1.25315996 0.79234407 -1.83022243
F -1.25299219 -1.84946789 -0.74633397
F -1.25291367 1.84948854 0.74648586

-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


