%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
C 1.18471807 -0.00012722 0.00005543
C 1.91860913 1.20892211 -0.00020301
C 3.31631652 1.21198917 -0.00021585
C 4.01554462 -0.00002816 0.00004664
C 3.316402 -1.21209464 0.00031344
C 1.91869421 -1.20912544 0.00030939
H 1.39605152 2.16534936 -0.00041921
H 3.85972115 2.15394375 -0.00043169
H 5.10281614 0.00001018 0.00004319
H 3.85987279 -2.15401105 0.00052561
H 1.39620466 -2.16559007 0.00052813
Ta -0.97028205 -0.00022183 0.00005429
C -1.81082516 -0.00042854 2.04051345
C -1.82451733 -2.02994236 -0.00002718
C -1.81080578 -0.00008277 -2.04041053
C -1.82469516 2.02942516 0.00014866
H -1.46459107 -0.88997164 2.58926968
H -2.90912657 0.00181803 2.06501038
H -1.46103238 0.88732344 2.5899856
H -1.48098337 -2.57803225 -0.89135605
H -2.92240231 -2.05424097 0.00210965
H -1.47765702 -2.57851569 0.88977677
H -2.90910661 -0.00240159 -2.06492591
H -1.46094406 -0.88781276 -2.58987426
H -1.46462068 0.88948226 -2.58916245
H -1.48113419 2.57754153 0.89145245
H -2.92258256 2.05362564 -0.00188922
H -1.47796036 2.57803343 -0.88968071

-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


