%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 -1.29573034 -0.00064251 -0.0005513
C -2.13990905 0.41789982 1.59938377
C -2.13942678 1.18238946 -1.1561265
C -2.15310323 -1.58806606 -0.43954387
H -1.83206344 1.41757207 1.92290307
H -1.83593381 -0.29694176 2.37085782
H -3.23221888 0.39303627 1.49413442
H -3.23172717 1.11137884 -1.07387575
H -1.84038286 0.96219233 -2.18596484
H -1.82597042 2.20505853 -0.92270931
H -3.24463988 -1.47519319 -0.41180587
H -1.85451916 -2.37017373 0.2660833
H -1.84878404 -1.90214781 -1.44325187
Ni 0.84529441 -0.00612945 -0.00186275
P 2.94002163 0.00214579 0.00136298
H 3.66507012 0.87443183 -0.85687601
H 3.66424464 0.31781077 1.18437849
H 3.67734827 -1.1715792 -0.31840776

-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


