%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
C 1.284777 -0.000195 0.000132
N 2.454895 -0.000151 0.000165
Ta -0.89381 -0.000265 0.000086
C -1.765962 -0.00032 2.008202
C -1.766106 -2.008326 -0.000067
C -1.76583 -0.00023 -2.008079
C -1.766216 2.007735 0.000225
H -1.410588 -0.889523 2.550756
H -2.863062 -0.001716 2.033959
H -1.412538 0.890171 2.549977
H -1.411086 -2.550786 -0.88947
H -2.863215 -2.03383 -0.001208
H -1.412592 -2.550351 0.890225
H -2.862927 0.001155 -2.033937
H -1.412339 -0.890696 -2.549849
H -1.410415 0.888999 -2.55057
H -1.411123 2.550203 0.889598
H -2.863327 2.033176 0.0015
H -1.412836 2.549788 -0.8901

-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


