%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:

0 1
C -0.05776805 0.27963696 0.0000
C -1.38874741 0.73892634 0.0000
C -1.71256432 2.10233731 0.0000
C -0.68114708 3.04100197 0.0000
C 0.65349806 2.63648152 0.0000
C 0.94681238 1.26618599 0.0000
H -2.21014324 0.02277746 0.0000
H -2.74799693 2.43152323 0.0000
Cl -1.07017863 4.76427752 0.0000
H 1.44708537 3.37857417 0.0000
H 1.99620585 0.97236386 0.0000
Pd 0.41153308 -1.79842866 0.0000
P 0.39846611 -1.74025266 2.28578692
P 0.39846611 -1.74025266 -2.28578692
H 0.76929737 -3.38212915 0.0000
H -0.7980393 -1.29807493 2.89169032
H 0.65247407 -2.86410848 3.10199345
H 1.28855315 -0.82651106 2.8916605
H -0.7980393 -1.29807493 -2.89169032
H 1.28855315 -0.82651106 -2.8916605
H 0.65247407 -2.86410848 -3.10199345

-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


