%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:

0 1
O 0.98018689 0.07649843 0.12162747
C 1.75815154 1.22645937 0.14889137
C 3.06505819 0.87788689 0.21144321
C 3.1198188 -0.5625265 0.22455947
C 1.84319715 -1.01040621 0.16923845
H 1.21045312 2.15512805 0.11692575
H 3.90277065 1.56031635 0.24488672
H 4.00690137 -1.17866365 0.26982282
H 1.36759134 -1.97839542 0.15452477
Cu -0.99017722 0.00069492 0.03142099
C -2.8207384 -0.06964125 -0.05244617
N -3.98822633 -0.11452078 -0.10610905

-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


