%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
P -1.7404776 -0.00269149 -0.01735292
F -2.44080375 1.40354014 -0.06481717
F -2.44901097 -0.67109002 1.2163499
F -2.42537706 -0.74357547 -1.22261574
Sn 1.11592898 0.00364349 0.00841958
C 1.32303615 1.00572705 -1.88645176
C 1.30789146 -2.14041413 0.09355534
C 1.28932621 1.1449432 1.82708939
H 0.86515288 1.99812976 -1.85193402
H 2.38965276 1.12490827 -2.10650815
H 0.869831 0.41542076 -2.68759248
H 0.85662839 -2.60612943 -0.78689357
H 2.37256512 -2.39789857 0.11347852
H 0.84125997 -2.53405083 1.00080268
H 0.8332425 2.13177633 1.70974098
H 0.82067757 0.6164232 2.66187298
H 2.35168339 1.28082572 2.05757845

-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


