%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 -1.63924964 -0.00012996 0.00051561
C -2.33786623 1.45310516 0.87491124
C -2.33975789 0.0301455 -1.6948147
C -2.33847473 -1.48384277 0.82187569
H -2.00453971 2.37676171 0.39135557
H -2.00265867 1.46064225 1.91690661
H -3.43243802 1.41548629 0.85383106
H -3.43417284 0.03111414 -1.65081349
H -2.00756875 -0.84978628 -2.25471685
H -2.00502437 0.92917963 -2.2215712
H -3.43289129 -1.4443869 0.80241878
H -2.00325612 -1.52969929 1.86263425
H -2.00624484 -2.38958102 0.30502098
Sn 0.99390238 -0.00039532 -0.00020101
C 1.42677548 -0.10005245 2.11515349
C 1.42764484 1.88170346 -0.97285995
C 1.4262857 -1.78354814 -1.14470411
H 0.99540064 0.75591579 2.64278917
H 1.03428246 -1.02437036 2.54923237
H 2.51044186 -0.08399196 2.2689583
H 1.00144593 1.90820642 -1.98031894
H 1.03028786 2.7201785 -0.39311454
H 2.51145659 2.00922199 -1.05871566
H 0.99415921 -2.66859318 -0.6681495
H 1.03402822 -1.69675263 -2.16231037
H 2.50984693 -1.92581261 -1.20761979

-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


