%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 3.28813939 0.3084095 0.06157514
H 3.60915304 -0.56461859 1.04255342
H 3.62565639 -0.54030967 -0.93508666
Ag 0.82501238 0.10214802 0.03761229
C -1.2770061 0.03065329 0.0181857
N -2.08597454 -1.05631254 0.0030744
C -3.42959471 -0.71329792 -0.00578297
C -3.46979065 0.64622459 0.00418287
N -2.1489634 1.06788012 0.0185836
H -4.21992724 -1.44792243 -0.01799568
H -4.30210707 1.33303868 0.00224681
H -1.73938572 -2.00648452 -0.0015228
H -1.85901476 2.03695447 0.02832888

-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


