%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 1.37658351 -0.00223657 -0.07940493
H 1.97182506 1.24619105 -0.34258003
H 1.49328724 -0.60845694 -1.34473303
H 2.42689019 -0.64242648 0.60562039
Ag -0.80213448 0.00199107 0.96346404
C -2.71278067 0.00569863 1.87808028
N -3.47165507 -1.0549529 2.24746233
C -4.67425165 -0.67065215 2.82101926
C -4.67514756 0.68945761 2.81380096
N -3.47311361 1.0692185 2.23606761
H -5.40593017 -1.38020992 3.17542626
H -5.40775294 1.40178577 3.16065906
H -3.18396686 -2.01551087 2.11502725
H -3.18671098 2.02869558 2.09338044

-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


