%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 1.004642 -0.340602 0.00192
N 1.744146 -1.489721 0.00184
C 3.114402 -1.258183 0.002898
C 3.264123 0.092938 0.003645
N 1.977657 0.618723 0.003068
H 3.845854 -2.051504 0.003004
H 4.151409 0.707013 0.004537
H 1.303332 -2.397648 0.001078
H 1.746171 1.601098 0.003413
Pd -1.032053 -0.115203 0.000823
P -3.275847 0.126382 -0.000256
H -4.13631 -1.004124 0.000226
H -3.942041 0.810171 1.051933
H -3.941197 0.808633 -1.053975

-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


