%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 1.33534896 0.12096845 -0.11608064
C 2.13972441 -0.21797132 1.58861283
C 2.00540526 -1.14011197 -1.38127201
C 1.86958411 1.8722712 -0.66235546
H 1.82569272 -1.16966762 2.03788267
H 1.95037459 0.59856816 2.30289759
H 3.23219466 -0.27009945 1.48633224
H 3.1022641 -1.09166699 -1.41303346
H 1.66910497 -0.9267454 -2.4067467
H 1.75317243 -2.17887903 -1.12686813
H 2.96117525 1.90931155 -0.77928958
H 1.63332861 2.64424437 0.08676666
H 1.44787664 2.16807338 -1.63241369
Y -1.50435727 -0.08277081 0.25980027
O -3.49359171 0.4894816 -1.06604636
O -1.05698934 0.20924225 2.58221057
O -1.68734411 -2.29450702 1.11321224
O -1.33686348 2.25819146 -0.12641358
O -1.30617846 -1.42976765 -1.6959963
H -4.42210693 0.24035296 -0.89792761
H -3.51166222 1.0520143 -1.86423652
H -1.56205689 0.53043883 3.35293644
H -0.11334701 0.20488134 2.84742005
H -1.68100813 -2.57391058 2.04785467
H -1.68036625 -3.11040501 0.57847319
H -1.95749314 3.0096537 -0.09125553
H -0.44063424 2.63065327 -0.25692267
H -0.41776602 -1.65155818 -2.04115879
H -1.9536171 -1.69230954 -2.37631983

-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


