%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:

0 1
N 1.74622778 -0.00044809 -0.00063245
C 2.2390636 0.50995171 1.29652326
C 2.23701451 -1.37973746 -0.20717462
C 2.23883468 0.86745933 -1.09165766
H 3.34399143 0.52101607 1.3224477
H 1.8682504 -0.12618482 2.10392211
H 1.86682354 1.52509 1.45463958
H 3.34188625 -1.40952476 -0.21145044
H 1.86455863 -1.76044689 -1.16134588
H 1.86429195 -2.02332613 0.59342356
H 3.34374566 0.88570139 -1.11360277
H 1.86660848 1.88440127 -0.94547644
H 1.8677367 0.49566417 -2.04985893
Pd -0.50029053 0.00019573 -0.0009664
P -2.69410665 -0.00007528 -0.00094134
H -3.42976441 0.77000527 -0.94258158
H -3.42915427 -1.20098657 -0.19693263
H -3.42938775 0.43020807 1.13706292

-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


