%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
P 1.30621751 0.0292796 0.03663553
C 2.13259043 0.20564575 1.67200652
C 2.33102587 -1.23619883 -0.82321257
C 1.72676359 1.60204553 -0.82390044
H 2.04154026 -0.72351682 2.24391024
H 1.67071608 1.01724423 2.24356728
H 3.19629633 0.4322075 1.54072453
H 3.3887654 -0.95074028 -0.80866047
H 2.00920011 -1.33983914 -1.86438997
H 2.21687655 -2.20623906 -0.32932371
H 2.809081 1.77202945 -0.80963332
H 1.22761028 2.44171803 -0.33020268
H 1.39040517 1.56531985 -1.86499371
Pd -1.05497798 -0.47407442 0.04266858
P -1.49025436 -0.56689793 2.31774893
P -1.40237257 -0.54838669 -2.25190274
H -2.60967786 -0.80628819 0.0180827
H -0.4649819 -0.3480198 3.26093941
H -2.46204486 0.3314017 2.79651899
H -2.01043268 -1.78378727 2.79644105
H -0.34310486 -0.32212551 -3.15668937
H -1.90095087 -1.7611095 -2.76284086
H -2.35291055 0.35479422 -2.7628509

-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


