%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 0.084125 0.007971 -2.214583
N 0.129409 0.012021 -3.386966
W -0.000573 -0.000022 0.012383
C 1.553986 -1.365276 0.024379
C -1.363136 -1.553681 -0.086059
C -0.077615 -0.00746 2.040241
C 1.365291 1.55388 0.028346
C -1.552146 1.365233 -0.083701
O 2.425627 -2.130975 0.047855
O -2.128111 -2.425461 -0.124123
O -0.121344 -0.010926 3.210625
O 2.131104 2.425358 0.054189
O -2.423084 2.131189 -0.120961

-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


