%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:

0 1
N 2.10807195 -0.06846016 0.00057442
C 3.29346219 -0.13671144 0.0040664
S 4.91151449 -0.23007753 0.00924094
Ag 0.08794096 0.04829407 -0.00518209
C -1.97938098 0.16688375 -0.0114666
N -2.88566824 -0.84478673 -0.00599787
C -4.19673001 -0.38890587 -0.01371405
C -4.1201233 0.96830719 -0.02486674
N -2.76594745 1.27399088 -0.02326072
H -5.04744613 -1.05233732 -0.01118993
H -4.89085609 1.7230659 -0.03388261
H -2.61029887 -1.81719978 0.00340431
H -2.38291251 2.20921204 -0.02939646

-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


