%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
C 0.00081323 -0.49235022 -0.00001352
C -1.19227408 -1.22733477 -0.17345072
C -1.20471975 -2.62234832 -0.17485512
C 0.00091595 -3.30406104 0.00083545
C 1.20647924 -2.62214498 0.17610502
C 1.19393511 -1.22709612 0.17387719
H -2.13560592 -0.70602767 -0.31089778
H -2.12431258 -3.18052021 -0.30853701
N 0.00094931 -4.77346145 0.0012914
H 2.1261147 -3.18016259 0.3101359
H 2.13721846 -0.70563449 0.31103245
O 1.07938488 -5.35369123 0.15837894
O -1.07746944 -5.35382704 -0.1554357
Au 0.00009738 1.56154792 -0.00066865
P -0.00648339 3.92050367 -0.00207655
H -1.23845186 4.58399727 -0.18072908
H 0.44882471 4.59718796 1.14915072
H 0.75703305 4.59710733 -0.97664293

-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


