%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:
        
0 1
N 0.020685 0.019359 -2.459308
H 0.936857 -0.219346 -2.8391
H -0.219515 0.9345 -2.840642
H -0.640697 -0.644102 -2.862843
W 0.000324 0.000405 -0.080795
C -1.445371 1.481174 -0.086053
C 1.484705 1.443386 -0.077108
C -0.007392 -0.007514 1.929652
C -1.483365 -1.441237 -0.098162
C 1.439517 -1.486809 -0.086477
O -2.254954 2.308145 -0.075819
O 2.314513 2.249845 -0.059821
O -0.010707 -0.011944 3.09156
O -2.313545 -2.247615 -0.098997
O 2.242946 -2.319753 -0.076239

-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


