%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:

0 1
C -0.07632844 -0.50163604 0.00182137
C 1.20401463 0.03013221 0.1732324
C 1.36227387 1.41569787 0.17215197
C 0.23435259 2.22149902 -0.00024127
C -1.04340922 1.69238092 -0.17098633
C -1.2032638 0.30389527 -0.17019788
H 2.06574675 -0.61475614 0.30613248
H 2.33790855 1.86915072 0.30220489
N 0.40294203 3.69103669 -0.00079938
H -1.89227859 2.35353322 -0.30090282
H -2.18625864 -0.13348057 -0.30081174
O 1.54138176 4.13417117 0.15038616
O -0.60511152 4.3807649 -0.15231782
Mn -0.26159778 -2.45374189 0.00120932
O -1.79652113 -2.64915529 -0.17083824
O 0.3135413 -2.85365269 1.39261453
O 0.60917264 -2.88172438 -1.21765765

-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


