%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 0.00158535 0.67524608 0.00222599
C -1.19091032 1.44445711 -0.02549501
C -1.20908259 2.84678673 -0.02743793
C 0.00297544 3.53335021 -0.0005095
C 1.21446013 2.84554301 0.02812299
C 1.19491643 1.44337181 0.02919374
H -2.14923986 0.92876891 -0.04666995
H -2.14774348 3.3962699 -0.0493452
Cl 0.00397713 5.32212459 -0.00231482
H 2.15361644 3.39420833 0.04926508
H 2.15276052 0.92680191 0.05195214
Pt 0.00053748 -1.39335911 0.00065954
P -0.00229371 -3.60434389 -0.00672616
H 1.17325271 -4.37244574 -0.29167695
H -0.34968367 -4.37112185 1.1529363
H -0.840088 -4.362838 -0.88751335

-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


