%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:

2 1
C 1.05222338 0.00218622 -0.00773057
C 1.75247764 1.11864373 0.46966593
C 3.15280737 1.11572926 0.45865263
C 3.84603676 0.00094458 -0.02986734
C 3.144192 -1.11329136 -0.50717265
C 1.74385399 -1.1149464 -0.49598092
H 1.24554256 2.00194985 0.85456254
H 3.70165403 1.97714147 0.82708333
Cl 5.5748392 0.00022131 -0.04362808
H 3.68635564 -1.97527887 -0.8840541
H 1.2301369 -1.99806732 -0.8722764
Rh -0.95523101 0.00311868 0.00804701
O -3.30899079 0.00456728 0.03250131
O -0.96824242 0.87188265 1.90151575
O -1.00352473 -1.90811574 0.83532627
O -1.01431232 1.91408979 -0.81884285
O -0.99733262 -0.86504026 -1.88536193
H -3.89175003 -0.6813452 0.40521035
H -3.90036165 0.68618553 -0.33447818
H -1.70512736 0.61033484 2.48890076
H -0.13878877 0.79574504 2.41580445
H -0.14885692 -2.20239053 1.21225804
H -1.288625 -2.6143154 0.2211775
H -1.29120466 2.62053731 -0.20123294
H -0.1646103 2.20801848 -1.20713649
H -0.17409264 -0.79156323 -2.4100
H -1.74030373 -0.6001738 -2.46352409

-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


