%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:

0 1
N -0.63651515 -0.04904286 1.97614774
H 0.09881516 -0.12837123 2.67478136
H -1.26228162 0.6975 2.26971408
Sn -0.01594094 0.00192427 -0.00485089
C -1.85226339 0.00669348 -1.16021951
C 1.14858199 -1.80979096 -0.26674653
C 1.18918895 1.76062888 -0.47677907
H -2.48676244 -0.83270438 -0.85755271
H -2.40979473 0.93603378 -0.99877531
H -1.64335269 -0.08292537 -2.23204678
H 0.56401986 -2.67940358 0.05081333
H 1.43434946 -1.94598256 -1.31568864
H 2.06459702 -1.77233118 0.33333133
H 0.61944578 2.67831419 -0.29313453
H 2.09144136 1.78697593 0.14428514
H 1.49695939 1.75253658 -1.52902801

-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


