%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
S 1.51393276 -0.00028668 -0.06119367
H 1.68815851 0.00056493 1.28407096
Ta -0.90351253 -0.00037068 -0.01852312
C -1.79021372 -0.00033659 1.98727583
C -1.75245217 -2.03583814 -0.01143398
C -1.79357697 -0.00034033 -2.02035708
C -1.75258574 2.03506639 -0.0113169
H -1.4609028 -0.89167287 2.54177313
H -2.88807488 -0.00157826 1.96964215
H -1.46284941 0.8920873 2.54116402
H -1.4102076 -2.59089348 -0.89777361
H -2.85117095 -2.04347404 -0.0142792
H -1.41510061 -2.59149411 0.87641507
H -2.89158425 0.00161258 -2.01554774
H -1.45939075 -0.8923205 -2.57140842
H -1.45631686 0.89053418 -2.57144559
H -1.41301469 2.59079258 0.8756909
H -2.85130653 2.04268525 -0.01128745
H -1.41260773 2.59009953 -0.89849988

-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


