%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
N 3.22900466 0.10223786 0.34017647
C 2.0343962 -0.46325178 0.55640961
N 1.08620095 0.28222363 -0.03253739
C 1.72495895 1.36217224 -0.64332893
C 3.06479371 1.25211698 -0.41188023
H 1.87020204 -1.37365699 1.1165558
H 4.1137348 -0.26202381 0.67902405
H 1.17720793 2.11641468 -1.18995444
H 3.89637089 1.87376754 -0.70770388
In -0.97866509 -0.10983558 -0.03109589
Cl -1.35239103 -2.00757695 1.13289376
Cl -2.09553082 1.4762997 -1.1755003

-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


