%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 3.31757147 0.64743478 0.05625334
C 2.03271753 1.04848751 0.09509127
N 1.23271011 -0.01359839 -0.00513794
C 2.04851944 -1.13152421 -0.11186509
C 3.35380325 -0.72702381 -0.07429255
H 1.71722972 2.0771258 0.19171341
H 4.12346015 1.25953204 0.11327359
H 1.64697988 -2.12936929 -0.20789517
H 4.27958625 -1.27938961 -0.12769188
Sn -1.01242631 0.00330915 0.00369063
C -1.39781592 -1.11295691 1.80320598
C -1.39966843 -0.97873934 -1.87215154
C -1.31268191 2.13540171 0.08274025
H -1.00727217 -2.13131945 1.71621063
H -0.9284894 -0.62383787 2.66175919
H -2.47537044 -1.17461492 1.98615029
H -1.09566598 -2.02886986 -1.82980737
H -2.46889981 -0.94214297 -2.10402247
H -0.85399919 -0.48165678 -2.67957921
H -0.87416357 2.55986275 0.99137974
H -0.87901248 2.62390731 -0.79542739
H -2.38437377 2.35886597 0.09470097

-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


