%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:

1 3
Si -2.27723089 0.21481294 -0.00022946
H -2.82839033 -0.36128949 1.28980105
H -2.9922572 1.52453014 -0.14059097
H -2.91466856 -0.669924 -1.04636391
Cr 0.20775982 -0.01846449 -0.02480459
O 2.428895 -0.27723972 -0.113648
O 0.76583281 1.78115012 1.02811013
O 0.55820224 1.21019025 -1.7647682
O 0.0341025 -1.26750468 1.74365493
O 0.05116146 -1.87216175 -1.11859746
H 3.00642878 0.31060799 0.40272085
H 2.92349566 -1.09930521 -0.27001487
H 0.7645978 2.50513949 0.37486608
H 0.16333244 2.06968313 1.73594
H -0.17906988 1.43566481 -2.35753644
H 1.33779214 1.03375379 -2.32058653
H -0.87076704 -1.25513565 2.10899169
H 0.65130326 -1.37287496 2.48819211
H -0.78175012 -1.8964787 -1.62617836
H -0.00742188 -2.62183003 -0.49888603

-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


