%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
opt=modredun freq 5D 7F scf=nosym empiricaldispersion=gd3

Bitartekari zentralaren dobletea base handiagoa erabiliz:

2 1
 Si                -1.70445400    0.67912800   -0.07545300
 C                 -2.40931800    0.80082500    1.66126200
 C                 -1.31558900    2.36098100   -0.82482500
 C                 -2.75760400   -0.40456100   -1.19896600
 H                 -1.79745700    1.40486700    2.34132000
 H                 -2.62139000   -0.17601500    2.11520100
 H                 -3.38121600    1.31179000    1.58645200
 H                 -2.27049300    2.83213600   -1.10103200
 H                 -0.71741100    2.32583900   -1.74374300
 H                 -0.83898400    3.04308600   -0.10993900
 H                 -3.63507200    0.18562100   -1.50241400
 H                 -3.16024900   -1.28823800   -0.68691400
 H                 -2.26085400   -0.72031400   -2.12347700
 Rh                 0.43478400   -0.47177300    0.07040900
 O                  2.26322665   -1.45546741    0.19507970
 O                  0.42945900   -0.64492600    2.14786100
 O                  1.52266000    1.25915600    0.35864200
 O                 -0.40328300   -2.39349600   -0.19495700
 O                  0.77003600   -0.46396500   -1.99852200
 H                  2.84609449   -1.74712151    0.91824419
 H                  2.65209054   -1.80723023   -0.62436942
 H                  1.03598100   -0.01106200    2.58004400
 H                 -0.41752300   -0.59063500    2.62935900
 H                  2.50809100    1.15836700    0.11313500
 H                  1.19941100    2.09438100   -0.02322700
 H                 -0.09072400   -3.10844100    0.39293900
 H                 -1.36068400   -2.52366200   -0.32714100
 H                  0.38387200    0.20485200   -2.59293200
 H                  0.68154800   -1.33038500   -2.44128400

15 14 16 F
15 14 17 F

-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


