%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
N 3.15014348 -0.0554338 -0.01721581
C 1.89622529 -0.57915786 -0.00664193
N 0.99532422 0.39322156 -0.02743638
C 1.69697678 1.58661751 -0.05244078
C 3.04135305 1.32288616 -0.04632997
H 1.67622149 -1.63507582 0.01551974
H 4.0094268 -0.58632552 -0.00581592
H 1.18018289 2.53310057 -0.0726741
H 3.90513248 1.96950291 -0.05952516
Pt -1.09502103 0.14886235 -0.02302006
P -3.25586786 -0.10400695 -0.01878574
H -3.82126298 -1.40701482 -0.01810613
H -4.03736605 0.42100885 1.04530888
H -4.04110335 0.42167949 -1.07977864

-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


