%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
P 1.54502415 -0.00136901 -0.00924164
H 2.23152367 1.2342999 -0.01443432
H 2.23910935 -0.61250304 -1.07839594
H 2.25126632 -0.61012019 1.05327222
W -0.99599662 -0.00482556 0.00594924
C -1.00320276 -1.44879176 -1.48207676
C -0.99589809 1.48397174 -1.43789403
C -3.03315719 -0.00153148 0.01855176
C -0.98525155 -1.48796499 1.45492549
C -0.97767157 1.44453559 1.48927582
O -1.00410773 -2.25203507 -2.31240922
O -1.00100232 2.31496489 -2.24073096
O -4.19054443 0.00075027 0.02538583
O -0.97670301 -2.31295189 2.26362726
O -0.97292323 2.25349586 2.31432529

-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


