%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 -0.00028022 0.50479491 -0.00007072
C -1.17961302 -0.26082333 -0.20602838
C -1.20018356 -1.654349 -0.2095963
C 0.00009743 -2.3468747 0.00002367
C 1.20019274 -1.65402439 0.20959815
C 1.17925705 -0.26050413 0.20593656
H -2.12165293 0.25930955 -0.37055099
H -2.11738878 -2.21100202 -0.36975117
N 0.00031503 -3.80032738 0.00008733
H 2.11754219 -2.21043672 0.36978829
H 2.1211633 0.25987885 0.37042544
O 1.07353335 -4.39557871 0.18762154
O -1.07271026 -4.39595653 -0.18735799
Cu -0.00060261 2.42576604 -0.00014796
C 0.00027938 4.32087786 -0.00001551
N 0.00064489 5.49456772 0.00003803

-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


