%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 1.10528004 0.0016549 0.0249477
C 1.77102814 -0.18470097 1.72550619
C 1.84472134 -1.36465993 -0.95312784
C 1.84726735 1.54625689 -0.63403153
H 1.40799323 -1.1244289 2.15329668
H 1.40716598 0.63966289 2.34675121
H 2.86645893 -0.18368928 1.72175003
H 2.93866856 -1.33830733 -0.90262944
H 1.52481246 -1.27442664 -1.99589043
H 1.48436608 -2.32209984 -0.56409461
H 2.94108186 1.50937785 -0.58669739
H 1.48497985 2.39710278 -0.04862805
H 1.53114354 1.6836745 -1.67288008
Al -1.31694436 0.01234555 -0.04768861
Cl -1.80082568 1.706978 1.16778534
Cl -1.70521111 0.23346735 -2.14151199
Cl -1.80734891 -1.89646454 0.78829094

-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


