%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 2.03914732 0.02711324 0.026797
C 2.84127934 -1.57802306 -0.40329667
C 2.8420825 1.19702786 -1.1530446
C 2.84664431 0.45801716 1.62879467
H 2.51950024 -1.88887894 -1.40209263
H 2.52662461 -2.3459522 0.31066994
H 3.93418625 -1.49453362 -0.38610901
H 3.93449511 1.13267595 -1.09267277
H 2.52652677 2.22005582 -0.92632828
H 2.52235257 0.96087705 -2.17295867
H 3.93872202 0.42814451 1.54139354
H 2.52709175 -0.24983938 2.39998691
H 2.53656225 1.46078707 1.93811021
W -0.51395719 -0.00304669 -0.00261107
C -0.51394871 1.89584225 -0.82563726
C -0.55244885 0.82845284 1.89211804
C -2.55579871 -0.05551267 -0.05406737
C -0.40069193 -0.82781831 -1.89587994
C -0.45393613 -1.89419266 0.833399
O -0.49856628 2.95915596 -1.2823031
O -0.55453202 1.29485913 2.95109432
O -3.7132431 -0.08746437 -0.08460655
O -0.31155503 -1.28844671 -2.95440008
O -0.40039109 -2.95064223 1.30354637

-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


