%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 -2.00246216 0.00120269 0.00024756
C -2.71633268 0.01980756 1.69432984
C -2.71296905 1.45944859 -0.86473176
C -2.71144693 -1.47687769 -0.8318179
H -2.38882273 0.91483425 2.23235774
H -2.38976927 -0.86393893 2.25129163
H -3.81021819 0.01966674 1.6351048
H -3.80699414 1.41384989 -0.83058056
H -2.38978535 1.47142087 -1.91036583
H -2.37923225 2.3835381 -0.38245984
H -3.80549451 -1.43388391 -0.79563985
H -2.373543 -2.38952084 -0.33108733
H -2.3910678 -1.50988482 -1.87793249
Ta 0.66418658 0.00014635 0.00062025
C 1.53915925 0.00899332 1.99080727
C 1.52367002 1.99630315 -0.01031028
C 1.52575552 -0.00990519 -1.99469692
C 1.52052447 -1.99742232 0.00788764
H 1.25062533 0.93380464 2.51250551
H 2.63062423 -0.08204137 2.03917275
H 1.10601044 -0.84418889 2.53884193
H 1.2358251 2.51407337 -0.93740538
H 2.6132508 2.06102092 0.09135388
H 1.07463247 2.53797909 0.83956542
H 2.61708705 0.08034772 -2.05016672
H 1.09120737 0.84445862 -2.54000613
H 1.23405355 -0.93417854 -2.51566489
H 1.2200379 -2.51470869 0.93179645
H 2.61157411 -2.0619079 -0.07729694
H 1.08374287 -2.53969469 -0.84718085

-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


