%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 -1.681746 -0.000068 0.000017
C -2.384555 -1.154524 0.000034
C -3.775767 -1.198217 -0.000018
C -4.491933 -0.000225 0.
C -3.775904 1.197848 0.000036
C -2.384687 1.154311 0.000002
H -1.799062 -2.067202 0.000096
H -4.278971 -2.159896 -0.000069
H -5.578098 -0.000287 -0.000005
H -4.279218 2.15947 0.000089
H -1.7993 2.067056 -0.000032
W 0.647675 0.000042 0.000019
C 0.640244 -1.463272 1.463606
C 0.638197 1.458906 1.468037
C 2.663969 0.00033 -0.000193
C 0.638307 -1.458803 -1.46802
C 0.639919 1.463329 -1.463585
O 0.643624 -2.284623 2.27852
O 0.639287 2.277832 2.285398
O 3.826017 -0.000201 -0.000144
O 0.639625 -2.277689 -2.285421
O 0.642971 2.2847 -2.278479

-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


