%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 -1.00684854 0.00102242 -0.0000629
C -1.81520414 1.63332947 -0.31263702
C -1.81396766 -1.08742794 -1.25665639
C -1.81426337 -0.54462263 1.57074618
H -1.49927206 2.01685071 -1.28820126
H -1.49841884 2.34996412 0.45206337
H -2.90838184 1.54811186 -0.29574187
H -2.90715745 -1.03079272 -1.19174211
H -1.49741958 -2.123653 -1.09929392
H -1.4970188 -0.78504753 -2.26004658
H -2.90768647 -0.51571508 1.49017105
H -1.49682537 0.10781715 2.39069425
H -1.49815607 -1.56557433 1.80822971
Cu 1.23317175 0.00058165 -0.00119725
C 3.16514263 -0.00151806 -0.00106592
H 3.57117303 0.08575254 -1.02141602
H 3.57218403 0.83779763 0.58504586
H 3.56994277 -0.92946935 0.43328082

-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


