%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 1.184718 -0.000127 0.000055
C 1.918609 1.208922 -0.000203
C 3.316317 1.211989 -0.000216
C 4.015545 -0.000028 0.000047
C 3.316402 -1.212095 0.000313
C 1.918694 -1.209125 0.000309
H 1.396052 2.165349 -0.000419
H 3.859721 2.153944 -0.000432
H 5.102816 0.00001 0.000043
H 3.859873 -2.154011 0.000526
H 1.396205 -2.16559 0.000528
Ta -0.970282 -0.000222 0.000054
C -1.810825 -0.000429 2.040513
C -1.824517 -2.029942 -0.000027
C -1.810806 -0.000083 -2.040411
C -1.824695 2.029425 0.000149
H -1.464591 -0.889972 2.58927
H -2.909127 0.001818 2.06501
H -1.461032 0.887323 2.589986
H -1.480983 -2.578032 -0.891356
H -2.922402 -2.054241 0.00211
H -1.477657 -2.578516 0.889777
H -2.909107 -0.002402 -2.064926
H -1.460944 -0.887813 -2.589874
H -1.464621 0.889482 -2.589162
H -1.481134 2.577542 0.891452
H -2.922583 2.053626 -0.001889
H -1.47796 2.578033 -0.889681

-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


