%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:

2 1
Si 1.51800874 0.39886435 -0.29440778
H 1.7558004 1.86418479 -0.48184549
H 2.39985638 -0.06790532 0.81377411
H 1.95406724 -0.28203812 -1.55334463
Y -1.26602521 -0.07954542 0.18606107
O -3.40128979 0.50945193 -0.85101358
O -0.83645523 -0.1100879 2.52705576
O -1.37715448 -2.40023452 0.64626912
O -1.31882357 2.29758068 0.19563105
O -1.03024503 -0.95791704 -2.01291616
H -3.53655227 1.20246063 -1.52633533
H -4.28275492 0.11764231 -0.69744471
H -1.37919192 0.04414865 3.32457709
H 0.09602586 -0.0833138 2.82500086
H -1.3292009 -2.83412696 1.51975334
H -1.31836886 -3.11460955 -0.01715109
H -0.47938779 2.78973592 0.08972824
H -2.00668643 2.9591695 0.399963
H -0.13485982 -1.01993394 -2.40251313
H -1.66804902 -1.16675723 -2.72142238

-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


