%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 -1.64643884 0.00198748 0.00046449
C -2.33229872 -0.4313948 -1.64223292
C -2.33218328 -1.20391396 1.19724356
C -2.33071498 1.64163822 0.44792746
H -1.97173836 -1.42415585 -1.92922704
H -1.97476949 0.29255182 -2.38116001
H -3.42754612 -0.42938567 -1.62629312
H -3.4274802 -1.19270844 1.18465441
H -1.97449702 -0.95455422 2.20112108
H -1.97267674 -2.20553962 0.94151993
H -3.42596301 1.62563633 0.44834541
H -1.97517485 2.38608335 -0.27132612
H -1.96772328 1.92123006 1.44191058
Ga 0.78463857 -0.00060428 -0.001602
Cl 1.26476249 1.52579006 -1.53580821
Cl 1.26627427 0.56331375 2.08776151
Cl 1.25956756 -2.09364523 -0.558086

-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


