%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
P 1.18526537 0.00090119 0.26091396
C 2.50445376 0.00329956 1.54422499
C 1.59130885 -1.45263276 -0.79279154
C 1.59266099 1.44909713 -0.79959911
H 2.41137954 -0.88309521 2.17931069
H 2.41216607 0.89270529 2.17520297
H 3.49302441 0.00176706 1.07152099
H 2.62362121 -1.38258251 -1.15385476
H 0.91491764 -1.493877 -1.65215741
H 1.47789458 -2.37614016 -0.21655935
H 2.62493601 1.37641896 -1.1602463
H 1.48003471 2.37541216 -0.22773759
H 0.91636845 1.48688655 -1.65920165
Ag -1.05724086 0.00430869 1.13688154
C -3.03441838 0.00876428 1.91367966
N -3.82085595 -1.05074421 2.22689651
C -5.06127502 -0.66641683 2.71483734
C -5.0599069 0.69342557 2.71023826
N -3.81872014 1.07194764 2.21972023
H -5.81725942 -1.3754332 3.01505162
H -5.81446136 1.40597672 3.00564284
H -3.52422821 -2.01067163 2.11281115
H -3.52016535 2.03048338 2.09914804

-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


