%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
N -1.81778547 0.00014011 0.00097618
C -2.32265071 1.38896551 -0.23147963
C -2.32107712 -0.89425877 -1.0880323
C -2.32537348 -0.49532611 1.31827535
H -3.42034314 1.38743782 -0.23806813
H -1.95713956 1.75555247 -1.19292002
H -1.96871109 2.04493123 0.56645187
H -3.41862221 -0.88806902 -1.09327296
H -1.96718735 -1.91302496 -0.91735869
H -1.95350041 -0.53835814 -2.05276143
H -3.42295236 -0.49409451 1.31536585
H -1.96564585 0.15609913 2.11730458
H -1.96683827 -1.51252108 1.48948602
Au 0.34425526 -0.00125864 0.00456991
P 2.64121391 -0.00089044 -0.00233284
H 3.26148642 -0.14989526 1.25001208
H 3.25416447 -1.0123091 -0.7620035
H 3.25442597 1.16062076 -0.50302134

-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


