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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
N 1.266274 -0.086004 0.000877
C 2.15205 -1.104108 0.000118
C 3.529602 -0.898325 -0.001026
C 4.016441 0.410732 -0.000771
C 3.102437 1.466761 0.000452
C 1.739958 1.17763 0.001116
H 1.735349 -2.106854 0.00004
H 4.200333 -1.751429 -0.001971
H 5.085134 0.603765 -0.001517
H 3.432347 2.500601 0.00075
H 0.998808 1.971258 0.001757
Pd -0.899047 -0.476466 0.000188
P -1.17508 -0.527799 2.30951
P -1.173696 -0.525418 -2.309374
H -2.428557 -0.752305 -0.000258
H -0.04464 -0.323098 3.127417
H -2.066136 0.406921 2.869759
H -1.67981 -1.717858 2.866703
H -0.042656 -0.320711 -3.126466
H -1.678964 -1.714537 -2.868102
H -2.063766 0.410498 -2.869201

-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


