%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
C -1.619464 0.000028 -0.000103
N -2.461915 1.065696 -0.000007
C -3.788485 0.682451 -0.00029
C -3.788552 -0.682139 -0.000048
N -2.461977 -1.065524 0.000556
H -4.601993 1.392122 -0.000553
H -4.602033 -1.391835 -0.000031
H -2.14887 2.029843 -0.000001
H -2.149033 -2.029714 0.001034
Ta 0.647406 0.000218 -0.000038
C 1.532131 0.000063 1.992388
C 1.48842 2.009415 -0.000594
C 1.532113 -0.001604 -1.992436
C 1.486649 -2.009985 0.000714
H 1.188823 0.89211 2.538361
H 2.629067 -0.004086 2.009148
H 1.182207 -0.888741 2.539586
H 1.12487 2.539726 -0.89566
H 2.582728 2.077485 0.002713
H 1.119722 2.54045 0.892068
H 2.629055 -0.000201 -2.009292
H 1.184321 0.887868 -2.539883
H 1.186555 -0.892996 -2.538091
H 1.123343 -2.54077 0.895528
H 2.581129 -2.076133 -0.001518
H 1.119861 -2.541624 -0.892262

-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


