%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
1 1
N -1.413019 0.000019 0.
C -2.102598 -1.172005 -0.000233
C -3.490014 -1.206712 -0.000219
C -4.196929 -0.000003 0.000021
C -3.490032 1.206718 0.00025
C -2.102616 1.172032 0.000243
H -1.515014 -2.086425 -0.000406
H -4.002353 -2.162902 -0.000393
H -5.282911 -0.000011 0.000029
H -4.002386 2.162899 0.000431
H -1.515045 2.086461 0.000405
Ta 0.783229 0.000002 -0.000002
C 1.653786 -0.000148 -1.996402
C 1.663585 -1.991417 0.00014
C 1.653732 0.000123 1.996421
C 1.663672 1.991384 -0.000177
H 1.305088 -0.891225 -2.54046
H 2.750186 0.002816 -2.021903
H 1.300402 0.888814 -2.541047
H 1.323541 -2.537443 0.893671
H 2.760037 -2.009058 -0.002443
H 1.319522 -2.538112 -0.891525
H 2.750131 -0.002722 2.021986
H 1.300406 -0.88887 2.541049
H 1.304908 0.891168 2.540457
H 1.32349 2.537379 -0.893681
H 2.760124 2.009016 0.002218
H 1.319754 2.538119 0.891514

-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


