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

of-vacuum-ligands

0 1
C 0.00000000 1.71421800 0.00000000
C 0.67185900 0.48979100 0.01861600
C -0.67185900 0.48979100 -0.01861900
N 1.87600100 -0.08957600 0.07167100
N -1.87600100 -0.08957600 -0.07167500
C 3.06079200 0.73865100 0.00787000
H 2.76768600 1.78446500 0.11285600
H 3.75596100 0.47661900 0.81470300
H 3.58201400 0.60968000 -0.95104400
C 2.06944500 -1.51250100 -0.05077200
H 1.11399900 -2.02725300 0.06403800
H 2.49634700 -1.77892200 -1.02877100
H 2.75319300 -1.87586100 0.72673500
C -2.06944400 -1.51250000 0.05077300
H -2.75320400 -1.87586100 -0.72672400
H -1.11400100 -2.02725400 -0.06405000
H -2.49633300 -1.77891900 1.02877800
C -3.06079200 0.73865100 -0.00786600
H -3.58202400 0.60965400 0.95103800
H -2.76768400 1.78446700 -0.11282100
H -3.75595400 0.47664100 -0.81471400

-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


