%mem=3200MB
%nprocshared=4
#p opt freq b3lyp/genecp 5d 7f empiricaldispersion=gd3
scf=(xqc,maxcyc=1000,conver=8,nosym)

of-vacuum-complexes

-1 1
 C                 -2.58620687    0.05247376    0.00000000
 C                 -1.90865887   -1.18245224    0.03975700
 C                 -3.26375487   -1.18245224   -0.03975800
 N                 -0.70816887   -1.78450124    0.14557600
 N                 -4.46424487   -1.78450224   -0.14557800
 C                  0.48822413   -0.96026924    0.00299200
 H                  0.23157413    0.07656476    0.22953000
 H                  1.26195713   -1.30362324    0.69997300
 H                  0.88939713   -1.01067924   -1.02119200
 C                 -0.55363087   -3.21167024   -0.08739200
 H                 -1.46694087   -3.73380324    0.20624000
 H                 -0.34053787   -3.43406624   -1.14557700
 H                  0.27449413   -3.59650924    0.51939800
 C                 -4.61878187   -3.21166924    0.08739300
 H                 -5.44690787   -3.59651024   -0.51939600
 H                 -3.70547387   -3.73380324   -0.20623900
 H                 -4.83187387   -3.43406424    1.14557900
 C                 -5.66063787   -0.96026924   -0.00299100
 H                 -6.06180887   -1.01068024    1.02119400
 H                 -5.40398887    0.07656476   -0.22952900
 H                 -6.43437287   -1.30362324   -0.69997000
 Zr                -2.58620688    2.27247376    0.00000090
 Cl                -2.58620478    4.71247366   -0.00000896
 Cl                -0.90132006    2.27247232    1.76486833
 Cl                -4.27109903    2.27246739   -1.76486108
 Cl                -4.35106886    2.27248134    1.68489311
 Cl                -0.82133982    2.27247443   -1.68488633

-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


