%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
F 0.5380991 -0.00234183 -0.67511833
Ag -1.08780874 0.00092278 0.47463126
C -2.76498724 0.0051614 1.66370179
N -3.45936934 -1.05437522 2.15626568
C -4.54854142 -0.67056021 2.92760249
C -4.54682808 0.68874913 2.92578033
N -3.45668048 1.06773675 2.15340951
H -5.21176649 -1.37898903 3.39890329
H -5.20825266 1.40012272 3.39516922
H -3.1908582 -2.00932218 1.96417841
H -3.18576243 2.02148807 1.95876624

-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


