%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 1.3497456 0.00105654 -0.0216815
Cl 2.03852861 1.86380365 -0.48312363
Cl 1.44720937 -1.04021879 -1.77150964
Cl 2.80094003 -0.81564323 1.15391761
Ag -0.83214947 0.00375223 0.98730864
C -2.74701967 0.00627073 1.88242657
N -3.52861638 -1.05535485 2.19470415
C -4.72753178 -0.67331762 2.77642715
C -4.7008315 0.68568689 2.83342952
N -3.48690207 1.06781437 2.28377265
H -5.47637199 -1.38371384 3.09121774
H -5.42180355 1.39601167 3.20779929
H -3.25978051 -2.01478017 2.01956556
H -3.18027468 2.02722481 2.18903576

-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


