%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:

-2 1
C 1.18290064 0.01439243 -0.00051471
C 1.92819375 -1.1799523 0.16290675
C 3.3205576 -1.21140776 0.1679519
C 4.02757593 -0.00654734 0.00146018
C 3.33901913 1.20856447 -0.16980588
C 1.946953 1.19626558 -0.16811512
H 1.3753282 -2.1102788 0.28405354
H 3.87100594 -2.13826344 0.29544877
N 5.46973396 -0.01643228 0.00407944
H 3.90329661 2.12658857 -0.29989462
H 1.41868989 2.13802951 -0.30776605
O 6.07059702 -1.09941485 0.1549411
O 6.08593857 1.05837835 -0.14446913
Zn -0.86825093 0.01431238 0.00506411
Cl -1.6972162 1.1069485 1.940293
Cl -1.64395359 1.18009711 -1.91403602
Cl -1.54261021 -2.27701523 -0.01109233

-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


