%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:

0 1
Si -2.03357377 0.02325177 -0.01284375
C -2.7159075 -0.09545376 -1.79370624
C -2.72948622 -1.45370236 0.97932874
C -2.71164539 1.62869815 0.76803735
H -2.39093154 -1.01745166 -2.29179501
H -2.38609974 0.74955189 -2.41115565
H -3.81487674 -0.09222502 -1.78183727
H -3.82837538 -1.43438959 0.97268244
H -2.40211517 -1.42957252 2.02622188
H -2.40985234 -2.41260299 0.55243249
H -3.81073163 1.62111251 0.76375625
H -2.38006843 2.51640293 0.21516893
H -2.38273807 1.74270889 1.8085025
Ta 0.66240582 -0.00937565 0.00455319
C 1.51687954 -0.04389475 -2.01892764
C 1.44499798 -2.06127607 0.03327472
C 1.4584467 -0.00314634 2.05049763
C 1.52241831 2.0114637 -0.00653583
H 1.26630728 -0.98596494 -2.52982179
H 2.60431005 0.09615448 -2.07618098
H 1.04511937 0.78015144 -2.58156174
H 1.19189134 -2.56335719 0.97904607
H 2.52566349 -2.16442935 -0.13017219
H 0.93277281 -2.60099336 -0.78279457
H 2.53786966 -0.18255619 2.140947
H 0.94052514 -0.81115394 2.59604746
H 1.22751577 0.94700458 2.5556361
H 1.29543235 2.52106504 -0.95541907
H 2.60652971 2.06729163 0.15790186
H 1.03221161 2.57572867 0.8053651

-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


