%mem=3200mb
%nproc=4
#p B3LYP/genecp scf=(xqc,maxcyc=1000,conver=8)
opt freq 5D 7F scf=nosym empiricaldispersion=gd3

of-vacuum-ligands

-1 1
 C                 -1.39749314   -0.00003478    0.06183390
 N                 -2.24709814   -1.07357378    0.04998990
 C                 -3.57270514   -0.67870678    0.01630090
 C                 -3.57257214    0.67906022    0.01611090
 N                 -2.24682914    1.07362122    0.04974190
 H                 -4.38480914   -1.39011078    0.00708190
 H                 -4.38453114    1.39061722    0.00672390
 C                 -1.87298914   -2.48777578    0.00295890
 H                 -0.92223514   -2.63194578    0.50994990
 H                 -2.65171114   -3.06380478    0.51272490
 H                 -1.77454814   -2.81290278   -1.03533310
 C                 -1.87242214    2.48778122    0.00282490
 H                 -1.77362814    2.81287222   -1.03544110
 H                 -2.65116114    3.06390122    0.51243090
 H                 -0.92173314    2.63170922    0.51004490
 Zr                 0.64865014   -0.00002422   -0.00074490
 Cl                 0.32191914    1.75375178   -1.74925390
 Cl                 3.09332614   -0.00076722   -0.14918590
 Cl                 0.52764814   -1.73473522    1.80281610
 Cl                 0.52831214    1.73586878    1.80162810
 Cl                 0.32165114   -1.75422022   -1.74893490

-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

