%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 0.02222148 -0.26167307 -0.04117725
C -1.26004582 0.29173453 -0.03027807
C -1.39848845 1.68130072 0.00186789
C -0.25408402 2.48419216 0.02224038
C 1.02709571 1.92550741 0.0040863
C 1.16840064 0.53600139 -0.02792887
H -2.14040387 -0.34120342 -0.0525558
H -2.38421591 2.13530265 0.00489548
Cl -0.42958058 4.22608069 0.0563653
H 1.90268754 2.56669373 0.00886614
H 2.15708955 0.09085387 -0.04809811
Mn 0.21387083 -2.19990555 0.0166803
O -1.04567425 -2.69664 -0.75531247
O 0.21329532 -2.52817286 1.54231437
O 1.57834744 -2.43446803 -0.69892008

-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


