%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym empiricaldispersion=gd3 scrf=pcm

Bitartekari zentralaren dobletea base handiagoa erabiliz:
        
1 1
He 1.636237 0.0002 0.000146
Ta -0.831934 -0.000139 0.000094
C -1.760111 0.001754 1.951363
C -1.7603 -1.951353 0.002245
C -1.760045 -0.002475 -1.951346
C -1.760976 1.950857 -0.001945
H -1.408166 -0.889804 2.491685
H -2.85531 0.002252 1.960625
H -1.407467 0.894653 2.48906
H -1.408494 -2.492009 -0.88914
H -2.855508 -1.960198 0.002634
H -1.407971 -2.488965 0.895317
H -2.855244 -0.003133 -1.960665
H -1.407265 -0.895411 -2.488894
H -1.40822 0.88901 -2.49184
H -1.409666 2.491459 0.889671
H -2.856186 1.959343 -0.002706
H -1.408534 2.488798 -0.894757

-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


