%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
 5D 7F scf=nosym empiricaldispersion=gd3 scrf=(pcm)

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
Pd -0.88246222 -0.24080079 0.00137599
P -1.76104674 1.85890974 0.00081116
P -0.34096205 -2.45260541 0.00205308
H -2.48637836 -0.75744291 0.00077733
H -1.00891093 3.05806032 0.00055792
H -2.62920474 2.16909626 -1.06878444
H -2.62908368 2.16944116 1.07040917
H 0.98310019 -2.95778295 0.00326366
H -0.84512135 -3.22272605 1.07243179
H -0.84315802 -3.22283234 -1.06917629
Si 1.47350559 0.43260467 0.00239558
C 1.82621494 2.31326306 0.00143158
C 2.39247027 -0.24751038 1.53784379
C 2.39481276 -0.24908623 -1.53097832
H 1.41196554 2.81216592 0.88783875
H 1.41228962 2.81120594 -0.8856605
H 2.91093989 2.49193451 0.0015499
H 3.45033092 0.05239554 1.52349642
H 2.36255918 -1.34419027 1.58511194
H 1.94885497 0.13357808 2.46664643
H 3.45304726 0.04940289 -1.51391682
H 1.95408778 0.13274354 -2.46084891
H 2.36357519 -1.34571131 -1.57850022

-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


