%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:

1 1
S -2.37946514 -0.77915114 1.01984602
C -3.06719388 0.84339449 1.00215434
C -3.84208561 1.02328984 -0.10100058
C -3.86435925 -0.11901547 -0.98106737
C -3.10623698 -1.1585665 -0.54021033
H -2.89149852 1.51165519 1.83514809
H -4.39803324 1.93544885 -0.28937958
H -4.43880663 -0.15568122 -1.90044985
H -2.96268138 -2.13835841 -0.97692478
Ag -0.00004789 -0.41207871 0.48319697
C 2.04433806 -0.13253093 0.06869076
N 2.61157921 0.61141061 -0.911784
C 3.99715569 0.55947674 -0.87910522
C 4.31748186 -0.25077636 0.16523242
N 3.11215605 -0.65441173 0.71973685
H 4.61853338 1.09010524 -1.58388847
H 5.2737261 -0.56726949 0.55231771
H 2.07500411 1.1408861 -1.58604329
H 3.02800606 -1.2683231 1.5191793

-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


