%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 1.43179172 -0.30421654 0.05143788
N 2.1247383 -1.12145502 -0.77243512
C 3.48115432 -1.11297394 -0.49059362
C 3.64364545 -0.25426631 0.55353937
N 2.37853488 0.2213296 0.86024727
H 4.19590792 -1.70352679 -1.0430575
H 4.52797149 0.05180682 1.09132978
H 1.69363634 -1.67130863 -1.50649344
H 2.18308176 0.88358745 1.60127466
Sn -0.80650477 0.0355392 0.00266783
C -0.98380163 2.15234193 -0.38569187
C -1.45458555 -0.60964159 1.95890098
C -1.31416739 -1.2737785 -1.64131119
H -0.46668339 2.41947655 -1.31202742
H -2.03862002 2.42542722 -0.48875565
H -0.56162799 2.73758621 0.43731246
H -1.02311779 0.02194686 2.74185345
H -2.54450063 -0.541615 2.03170824
H -1.16136614 -1.6479983 2.13971923
H -0.81674952 -0.95987082 -2.56522164
H -1.0465701 -2.31193555 -1.41726169
H -2.39307303 -1.24464131 -1.82298799

-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


