%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:

1 1
N 1.26627424 -0.08600368 0.00087698
C 2.15205008 -1.10410812 0.00011791
C 3.52960176 -0.89832522 -0.00102634
C 4.01644138 0.4107317 -0.00077115
C 3.10243654 1.46676079 0.00045154
C 1.7399583 1.1776298 0.00111624
H 1.73534916 -2.10685353 0.00004047
H 4.20033327 -1.75142936 -0.00197111
H 5.08513427 0.6037654 -0.00151746
H 3.43234653 2.50060057 0.0007501
H 0.99880843 1.9712579 0.00175665
Pd -0.8990475 -0.47646602 0.00018775
P -1.17508023 -0.52779856 2.30950973
P -1.17369614 -0.52541787 -2.30937393
H -2.42855689 -0.75230451 -0.00025782
H -0.04464003 -0.32309814 3.12741692
H -2.0661365 0.40692145 2.86975878
H -1.6798097 -1.7178582 2.86670259
H -0.04265588 -0.32071095 -3.12646563
H -1.67896393 -1.71453694 -2.86810194
H -2.06376576 0.41049778 -2.86920061

-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


