%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 1.35615364 -0.00177429 -0.05673185
F 1.86773101 1.37005548 -0.62856394
F 1.55516246 -0.94583853 -1.29757304
F 2.56873197 -0.42671866 0.84865673
Ag -0.81460529 0.00155748 0.96582978
C -2.7222979 0.0056494 1.8756946
N -3.51930272 -1.05243394 2.15946314
C -4.70626833 -0.66896159 2.76308046
C -4.65547382 0.68707871 2.8642128
N -3.4399423 1.06636186 2.31748425
H -5.46488587 -1.3764064 3.06081334
H -5.36101225 1.3970591 3.2676597
H -3.27000029 -2.0107178 1.95120573
H -3.1188483 2.02368154 2.25205819

-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


