%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

1 1
C 1.08160256 -0.01548882 -0.00000006
C 1.77268689 1.20936339 -0.00000006
C 3.17041816 1.21358413 -0.00000006
C 3.87576814 0.00580649 -0.00000006
C 3.18892736 -1.212592 -0.00000006
C 1.79130675 -1.22966894 -0.00000006
H 1.2385837 2.15552881 -0.00000006
H 3.70525903 2.15919481 -0.00000006
H 4.96201007 0.01409401 -0.00000006
H 3.73812245 -2.14993676 -0.00000006
H 1.27176375 -2.18391886 -0.00000006
Zn -0.81741546 -0.03107813 -0.00000006
N -2.84715363 -0.04808311 -0.00000006
H -3.23302435 -0.99873366 -0.00000006
H -3.24503226 0.42140291 0.82082594
H -3.24503226 0.42140291 -0.82082606

-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


