%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 0.28905711 -0.05470128 0.01822171
C -0.29769357 -1.32518505 -0.08303379
C -1.68075912 -1.43311252 -0.10719237
C -2.4857457 -0.27831408 -0.02992087
C -1.89006641 0.98754683 0.07578051
C -0.4955902 1.09647598 0.09940091
H 0.31683993 -2.21758443 -0.13920248
H -2.16665469 -2.40115058 -0.18193232
O -3.82405374 -0.49967486 -0.06082766
H -2.48852765 1.88871984 0.14336283
H -0.03233706 2.07336353 0.18266942
C -4.7114582 0.61466669 0.01247394
H -4.55997358 1.29669056 -0.83401731
H -5.71649784 0.19311325 -0.03303485
H -4.58382084 1.15994051 0.9564329
Mn 2.21685569 0.07878293 -0.00182577
O 2.45757932 1.58360231 0.3284216
O 2.62048207 -0.34767098 -1.45033323
O 2.67270975 -0.9285601 1.10108456

-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


