%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=(pcm)

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
P -1.57089754 0.0003176 -0.00015091
C -2.41718228 0.44475341 1.58823934
C -2.41506025 1.15449431 -1.17967813
C -2.41541214 -1.59877201 -0.40976133
H -2.11668747 1.45220519 1.89336388
H -2.10978756 -0.25269566 2.37383474
H -3.50934441 0.40962121 1.48163728
H -3.50703686 1.07337822 -1.10324154
H -2.1074897 0.92151469 -2.20404428
H -2.11354952 2.18410969 -0.96113926
H -3.5079815 -1.49354085 -0.37992353
H -2.10852749 -2.36796017 0.30615471
H -2.11205486 -1.92663497 -1.40913934
Pd 0.73548773 0.00028398 0.00056229
P 3.01218459 -0.000167 -0.00041316
H 3.73987069 0.84721236 -0.87587813
H 3.74358721 0.33389032 1.1691127
H 3.74190434 -1.18079229 -0.29734933

-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


