%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 1.14945879 -0.02046521 0.00910203
C 1.85072765 0.96016949 -0.70802672
C 3.25306197 0.98499483 -0.69736354
C 3.96743623 0.03028953 0.02978228
C 3.27764027 -0.94972067 0.74684326
C 1.87529713 -0.97549591 0.73688331
H 1.33394585 1.72327575 -1.28822926
H 3.77889366 1.75228952 -1.25902363
H 5.05292726 0.04990847 0.03756989
H 3.82252096 -1.69771817 1.31632999
H 1.3775956 -1.75698358 1.30961736
Co -0.80721741 -0.05635108 -0.00617075
N -0.8111452 -0.29455352 2.00661589
N -3.01556656 -0.08385506 -0.02735332
N -0.7847339 0.17283322 -2.01957386
N -0.75770405 -2.05228461 -0.35918785
N -0.83814868 1.93831042 0.34398515
H 0.08306398 0.02485027 2.39249628
H -1.54059262 0.22534635 2.50169683
H -0.90837605 -1.25960417 2.33255822
H -3.42628066 0.44605774 -0.80060538
H -3.42041531 -1.02034554 -0.10745725
H -3.45418802 0.30714986 0.81009999
H 0.10708677 -0.16417809 -2.39568665
H -1.52086379 -0.33578498 -2.51715447
H -0.85742128 1.13788219 -2.3518062
H 0.15781443 -2.31125993 -0.74042318
H -0.87669096 -2.64747272 0.46469716
H -1.4537261 -2.38734995 -1.03086654
H 0.03777063 2.22496124 0.79228832
H -0.90825384 2.52668492 -0.49010724
H -1.59529689 2.2559884 0.95519274

-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


