%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 -2.10966883 -0.00549911 0.02468376
N -2.95488909 0.74517897 0.77457468
C -4.28845562 0.47667285 0.50286533
C -4.28791124 -0.4842521 -0.45936536
N -2.95404008 -0.75484246 -0.72748098
H -5.10066852 0.97947778 1.00464152
H -5.09955447 -0.98580061 -0.96331642
H -2.63403983 1.42242927 1.45338963
H -2.6324206 -1.43256205 -1.40546353
Ag -0.00248638 -0.00701982 0.0277407
C 2.10471106 -0.00851639 0.03086147
N 2.95109667 0.74215644 -0.71771019
C 4.28424719 0.4712768 -0.44630098
C 4.28220364 -0.49119524 0.51437791
N 2.94790955 -0.76028112 0.78192344
H 5.09723999 0.97372949 -0.94716643
H 5.09306284 -0.99471919 1.0176203
H 2.6313051 1.42093544 -1.3954965
H 2.62523863 -1.43865593 1.45874966

-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


