%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
N 0.98728229 -0.00794686 0.00025661
C 1.48249431 -0.00048854 -1.43193689
C 1.46907454 1.23668169 0.71812105
C 1.49551485 -1.24400219 0.71446888
H 2.57732786 0.01106897 -1.41904439
H 1.12032236 0.8950807 -1.94250869
H 1.1393362 -0.90190807 -1.94536617
H 2.56404035 1.23869904 0.71080918
H 1.11752218 1.22459662 1.75260617
H 1.10535702 2.12600073 0.19784208
H 2.59025127 -1.22144311 0.70947846
H 1.15283991 -2.13912932 0.18994481
H 1.14157829 -1.24373996 1.74820695
Zn -0.94268922 -0.02841159 0.00033114
N -2.90974399 -0.05017932 0.00023545
H -3.30232407 -1.00348064 0.02170258
H -3.31837573 0.43835947 0.81124153
H -3.31788062 0.4011213 -0.83231383

-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


