%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
C 0.00014026 0.91612093 -0.00002026
C -1.17510095 1.62441295 0.27226845
C -1.18416726 3.02443625 0.265241
C 0.00087201 3.70781931 -0.0001163
C 1.18556422 3.02379755 -0.26541629
C 1.17577277 1.62378463 -0.27233907
H -2.08972495 1.0926622 0.51316206
H -2.09822543 3.57240095 0.47434621
Cl 0.00134079 5.48191421 -0.00015975
H 2.09990588 3.57127912 -0.47454924
H 2.09012298 1.09154722 -0.51318742
Au -0.00029871 -1.14028909 0.00014182
Cl -0.00081412 -3.57672532 0.00037989
Cl -0.92596604 -1.07770201 2.17868123
Cl 0.92537455 -1.07847589 -2.17843231

-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


