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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
C 1.08568166 -0.18601392 -0.00059079
C 1.92437169 -1.32095832 -0.00052305
C 3.31678326 -1.22117438 -0.00078607
C 3.92940846 0.03988415 -0.00109811
C 3.13203184 1.18989381 -0.00119497
C 1.73217281 1.05951982 -0.00091383
H 1.48539811 -2.31870939 -0.00026972
H 3.94856482 -2.10600861 -0.00068752
O 5.30395689 0.03856864 -0.00143367
H 3.57447236 2.18110908 -0.00146152
H 1.14249425 1.97651136 -0.00097788
C 5.97658344 1.28735897 -0.00130864
H 5.73305857 1.87610225 0.89468155
H 7.0433625 1.05333153 -0.00120673
H 5.73326602 1.87617331 -0.89732859
Pd -1.0392765 -0.35805607 -0.00022588
P -0.94466717 -0.35120056 2.28201961
P -0.94587362 -0.35084401 -2.28247433
H -2.6609038 -0.48891763 0.00004369
H -0.32338673 0.76949074 2.87570473
H -2.07602782 -0.43991988 3.12391674
H -0.15711324 -1.36255554 2.8748177
H -0.3263698 0.77069117 -2.87643475
H -0.1574472 -1.36115049 -2.87590787
H -2.07765541 -0.44081229 -3.12367323

-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


