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

Bitartekari zentralaren dobletea base handiagoa erabiliz:

0 1
S 1.513933 -0.000287 -0.061194
H 1.688159 0.000565 1.284071
Ta -0.903513 -0.000371 -0.018523
C -1.790214 -0.000337 1.987276
C -1.752452 -2.035838 -0.011434
C -1.793577 -0.00034 -2.020357
C -1.752586 2.035066 -0.011317
H -1.460903 -0.891673 2.541773
H -2.888075 -0.001578 1.969642
H -1.462849 0.892087 2.541164
H -1.410208 -2.590893 -0.897774
H -2.851171 -2.043474 -0.014279
H -1.415101 -2.591494 0.876415
H -2.891584 0.001613 -2.015548
H -1.459391 -0.89232 -2.571408
H -1.456317 0.890534 -2.571446
H -1.413015 2.590793 0.875691
H -2.851307 2.042685 -0.011287
H -1.412608 2.5901 -0.8985

-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


