%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 0.99839354 -0.00086657 0.00046976
C 1.49869639 0.07090573 -1.39548105
C 1.49623091 1.17369728 0.75946743
C 1.50153888 -1.24367144 0.63756021
H 2.6018874 0.07432508 -1.41104909
H 1.12404174 0.98203438 -1.86646258
H 1.12843788 -0.78989548 -1.95605085
H 2.59934114 1.18836482 0.76732896
H 1.12407162 1.12412876 1.78482022
H 1.12189282 2.08838098 0.29512849
H 2.60467964 -1.25397043 0.64422463
H 1.13111963 -2.10859304 0.08343604
H 1.12941407 -1.29950833 1.66263381
Pt -1.20312769 -0.00543211 -0.00004409
P -3.37037516 -0.00843391 -0.00043171
H -4.08153056 -1.11303445 0.53973795
H -4.08405812 1.01038981 0.68534652
H -4.08264212 0.07487166 -1.22655924

-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


