%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
O 2.19711341 -0.00269525 0.03086449
C 3.02567855 0.80302947 0.81143673
C 4.31811919 0.51558539 0.53517826
C 4.31972372 -0.52057512 -0.46707514
C 3.02817302 -0.80825507 -0.74722422
H 2.52274687 1.48962731 1.47480992
H 5.18261971 0.98169486 0.98731138
H 5.18566849 -0.98651701 -0.91660924
H 2.52737107 -1.49494145 -1.41211559
Ag -0.01617198 -0.0031386 0.0277263
C -2.09744712 -0.00347365 0.02489144
N -2.93785365 -0.7441974 0.78664863
C -4.27013569 -0.47762588 0.50987316
C -4.26896992 0.46973221 -0.46618929
N -2.93603186 0.73690777 -0.73920039
H -5.08237851 -0.9731315 1.01896308
H -5.07999492 0.96486252 -0.97758049
H -2.61941081 -1.41259301 1.47597829
H -2.61594557 1.40553644 -1.42754229

-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


