%nprocshared=12
%mem=22GB
#p b3lyp genecp empiricaldispersion=gd3 nosymm scf=maxcyc=512

Single point

0 1
 Cu               0    1.35256800   -0.42813800    1.92033100
 Cu               0   -0.00178600   -0.92838800   -0.24066500
 Cu              -1    0.02245900   -0.17717600    4.20176400
 Cu              -1   -1.29387700   -0.51334900    2.00237600
 Cu              -1   -0.00176800    1.70650800    2.40857500
 Cu              -1   -1.31586400    1.36885300    0.21382900
 Cu              -1   -2.63098700    1.00542200   -1.98155000
 Cu              -1    2.57940100    1.04633600   -2.05376100
 Cu              -1   -2.61286900   -0.86989800   -0.20146800
 Cu              -1   -1.34122300   -1.20831400   -2.43660000
 Cu              -1   -0.02424700    1.05260700   -2.02045200
 Cu              -1    1.28436100    1.39093800    0.17490600
 Cu              -1    2.62230500   -0.85412200   -0.27339300
 Cu              -1    1.30905700   -1.18900900   -2.47252800

-C -H -N -S -O 0
6-311+G(d,p)
****
-Fe -Cu 0
LanL2DZ
****

-Fe -Cu
LanL2DZ




