%nproc=4
%mem=6400mb
#p B3LYP/genecp scf=(maxcyc=1000,conver=8)
5D 7F scf=nosym

Bitartekari zentralaren dobletea base handiagoa erabiliz:

3 1
 16      -1.596411      -0.003677      -0.920748
 6      -2.604233       1.267017      -0.202227
 6      -3.657306       0.701239       0.450115
 6      -3.657809      -0.745069       0.433485
 6      -2.606666      -1.288872      -0.231817
 1      -2.423190       2.308232      -0.443689
 1      -4.451915       1.293658       0.896167
 1      -4.447402      -1.347212       0.874176
 1      -2.396524      -2.326924      -0.460524
 39       1.052377      -0.017360       0.038031
 8       3.152980       0.069344       1.101527
 8      -0.049362       0.884489       1.882320
 8       1.491984       2.153205      -0.736915
 8       0.964804      -2.240980       0.796972
 8       1.698270      -0.756855      -2.101441
 1       3.572554      -0.624233       1.654837
 1       3.798021       0.809004       1.089777
 1       0.251049       1.131269       2.782869
 1      -1.010861       1.099127       1.839913
 1       1.335646       3.000405      -0.267714
 1       1.834770       2.410543      -1.619718
 1       0.495306      -2.567292       1.594514
 1       1.333893      -3.045075       0.372815
 1       1.102191      -0.894744      -2.869758
 1       2.593009      -0.990401      -2.431929

-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


