%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
F 1.287055 0.450579 0.133366
Nb -0.61179 -0.024029 -0.011033
N -2.619095 0.102443 0.183006
N -0.584922 -1.760244 -0.972723
N -0.630488 1.594973 -1.208645
N -0.432037 -0.174805 1.989115
H -3.250524 -0.611649 -0.17141
H -3.156978 0.844313 0.625665
H -0.550907 -1.858652 -1.985028
H -0.459597 -2.666272 -0.526708
H -1.462806 2.074382 -1.535816
H 0.201002 2.173073 -1.306353
H 0.434101 0.093762 2.450431
H -1.203623 -0.238615 2.645035

-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


