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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

2 1
Si 1.40768397 0.04157315 0.04178813
C 2.05427989 0.17444756 1.80021959
C 1.56334561 -1.69606864 -0.66374252
C 2.13061489 1.36450291 -1.08649132
H 1.62569579 -0.56914725 2.4822046
H 1.95004855 1.17999941 2.22830084
H 3.13615137 -0.02509639 1.7685413
H 2.62437349 -1.86719812 -0.89838048
H 1.0150216 -1.86142685 -1.59940246
H 1.2857712 -2.47305586 0.05925511
H 3.15410932 1.05609636 -1.34666171
H 2.23382832 2.33926453 -0.59213024
H 1.59586229 1.49703446 -2.03393809
Rh -0.98073631 0.50538769 0.09189097
O -4.02223843 -1.78662168 -0.16833014
O -1.10142035 0.71871887 2.16209445
O -1.51454987 -1.4642366 0.40540709
O -0.74280154 2.58312212 -0.21175162
O -1.22429791 0.35167678 -1.98415902
H -4.61545109 -2.22669437 0.46586244
H -4.3985218 -1.95176222 -1.05013975
H -1.50718148 -0.05729116 2.59752673
H -0.2943674 0.93018114 2.6681723
H -2.47596299 -1.66731698 0.129817
H -0.94421789 -2.17345343 0.05950473
H -1.2745521 3.18535892 0.34413901
H 0.13672875 2.98978408 -0.32168212
H -0.63579605 -0.18474416 -2.54601234
H -1.38155542 1.194942 -2.45183993

-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


