%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:

3 1
O 1.49363035 0.00002382 0.00005115
C 2.36434625 -0.27978713 1.10898448
C 3.64161189 -0.17714919 0.70247785
C 3.64167858 0.17731641 -0.70214149
C 2.36445149 0.2798832 -1.10878734
H 1.87311731 -0.51510596 2.04138816
H 4.51606871 -0.33379006 1.32333302
H 4.51619431 0.33400569 -1.32290145
H 1.87331102 0.51517364 -2.04124483
Y -0.79445945 -0.00003434 -0.00007153
O -3.15350081 -0.00009226 -0.00019793
O -0.67202059 2.27101716 0.57301722
O -0.99081777 -0.57405027 2.27464726
O -0.99060196 0.57397003 -2.27481189
O -0.67184483 -2.27108007 -0.57314597
H -3.75170093 -0.19042938 0.75400307
H -3.75162958 0.19021537 -0.75446295
H -1.39576742 2.91405533 0.73524799
H 0.15711146 2.78123455 0.70180715
H -1.04061047 0.03497682 3.04285089
H -1.04055972 -1.47465324 2.66190702
H -1.04034718 1.47457016 -2.66207784
H -1.04028155 -0.03506025 -3.04302032
H 0.15732675 -2.7812557 -0.70184682
H -1.39554182 -2.91415476 -0.73545435

-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


