%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:

1 1
N 1.20421235 -0.0001145 0.00005357
C 1.89383531 -1.17211222 0.00028669
C 3.28125238 -1.20676739 0.00027236
C 3.98812183 -0.00003164 0.00003205
C 3.28118 1.20666198 -0.00019721
C 1.89376518 1.17192403 -0.00018992
H 1.30628499 -2.08655466 0.00045949
H 3.79362752 -2.16293794 0.00044633
H 5.07410438 0.00000096 0.00002408
H 3.79349821 2.16286303 -0.00037767
H 1.3061599 2.08633101 -0.0003514
Ta -0.99203613 -0.00021393 0.0000555
C -1.86259254 -0.00039583 1.99645492
C -1.87231709 -1.99166553 -0.00008672
C -1.86253911 -0.00012572 -1.99636763
C -1.87255396 1.99113493 0.00022994
H -1.5138611 -0.89145979 2.54051347
H -2.95899256 0.0025263 2.0219562
H -1.5092424 0.88857933 2.54110069
H -1.53225323 -2.53767943 -0.89361823
H -2.96876863 -2.00934729 0.00249649
H -1.52823348 -2.53834731 0.89157826
H -2.9589374 -0.00301127 -2.02193326
H -1.5091799 -0.88910547 -2.54099578
H -1.51374867 0.89093249 -2.54040398
H -1.53239222 2.5371432 0.89373437
H -2.96900625 2.00872634 -0.00216503
H -1.52865629 2.53788343 -0.89146088

-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


