%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 1.23155784 -0.00394388 0.00031512
C 1.88169167 -1.1881475 -0.00048089
H 2.97078102 -1.26981402 -0.00047059
H 1.355169 -2.14477119 -0.00118165
H 1.85726508 0.89753881 0.00101439
Ta -0.92454217 0.02223059 0.00017773
C -1.76744575 0.00743842 2.03940247
C -1.77023666 -2.01415459 0.00028548
C -1.76718214 0.00723008 -2.03917221
C -1.80238727 2.03834584 0.00011443
H -1.42676802 -0.88353639 2.58828047
H -2.865621 0.01658184 2.06318413
H -1.41303794 0.8942512 2.58849557
H -1.42815795 -2.56325065 -0.89055981
H -2.86825393 -2.0343022 0.00130265
H -1.42656331 -2.56357724 0.89033103
H -2.86536595 0.01386104 -2.06323311
H -1.42434884 -0.88285963 -2.58817645
H -1.41461608 0.89494354 -2.58795315
H -1.46416108 2.59075037 0.89084258
H -2.90046984 2.04851311 -0.00126293
H -1.46200907 2.59094763 -0.88970856

-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


