%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
C 0.02204295 0.15556158 -0.01216618
C 0.53845395 0.86654095 1.08755383
C 0.7145426 2.25077144 1.04859826
C 0.36681629 2.93334904 -0.11752844
C -0.14518558 2.27091983 -1.23363934
C -0.31128142 0.88644993 -1.16812867
H 0.81886173 0.34142454 1.99845502
H 1.11300251 2.79784066 1.89522163
N 0.54893572 4.39515707 -0.17322308
H -0.40111562 2.83331435 -2.12416615
H -0.7045821 0.3771177 -2.04563006
O 1.00425903 4.95766113 0.82504727
O 0.23595828 4.97565969 -1.21501703
Sn -0.24472351 -2.00940086 0.06896721
C -2.24043487 -2.44273922 0.81822335
C 1.26731732 -2.78792768 1.42091495
C -0.00727471 -2.75699902 -1.95708472
H -2.40776152 -3.52408188 0.87135989
H -2.3745487 -2.02367557 1.82122949
H -3.00122657 -2.00831083 0.16088415
H 1.09775332 -2.42767064 2.44156805
H 1.24418934 -3.88284816 1.44056337
H 2.26709709 -2.47069933 1.1060894
H -0.8076269 -2.38302501 -2.60503766
H 0.95239982 -2.43716774 -2.37666647
H -0.04225443 -3.851651 -1.97388805

-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


