%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
B 1.04995829 0.14821244 -0.14684773
O 1.93138935 0.48753272 0.89600132
C 3.23473551 0.64748713 0.36081744
C 3.17091268 -0.06456488 -1.0050825
O 1.78882484 -0.08331716 -1.32162375
H 3.97869074 0.20895978 1.0424697
H 3.46026788 1.72203888 0.24720772
H 3.73108698 0.46077695 -1.79289295
H 3.55126927 -1.09879484 -0.94082724
Pt -0.94343678 0.01562142 0.01535108
F -3.0931505 -0.12736332 0.19027834
F -1.13775205 0.84600248 -1.79349337
F -0.73313319 -0.8136932 1.8228991
F -0.98204587 1.84311197 0.83111521
F -0.87215824 -1.80968764 -0.80307093

-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


