%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
O 1.02816461 0.06282479 -0.35161469
C 1.79128901 1.26479118 -0.05719091
C 2.99820994 0.88532349 0.38602163
C 3.06106209 -0.56420478 0.40736807
C 1.89206422 -1.05954652 -0.02289445
H 1.29980172 2.19229324 -0.31519429
H 3.80546516 1.55976254 0.64784869
H 3.92329974 -1.15828342 0.68790998
H 1.48305766 -2.03319455 -0.25327583
Zn -0.81351521 -0.01324026 -0.08802649
N -2.75071583 -0.09319033 0.0954049
H -3.11486809 -1.05924091 0.08792574
H -3.08765693 0.32897172 0.9751974
H -3.2452023 0.40064192 -0.66469447

-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


