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

Single point

0 1
 N                 -1.72260900    1.35116200   -0.12896600
 N                  1.09930100    1.47734100    0.04623900
 N                  1.24189700   -1.37045900    0.00505800
 N                 -1.58213800   -1.51141100   -0.08808800
 C                 -3.06730700    1.08425500   -0.19256300
 C                 -3.79715200    2.28906700   -0.54378500
 C                 -2.88123300    3.28602500   -0.69095400
 C                 -1.58605600    2.72547200   -0.40916300
 C                 -0.40206300    3.43333400   -0.35643500
 C                  0.85417400    2.85222700   -0.04872100
 C                  2.02535400    3.57774900    0.26425300
 C                  3.01552400    2.64730300    0.54472800
 C                  2.43379200    1.36308100    0.35910200
 C                  3.14442300    0.12548000    0.46764400
 C                  2.58212800   -1.11306100    0.14937700
 C                  3.34535300   -2.33480200   -0.03768600
 C                  2.45394200   -3.33362700   -0.28179000
 C                  1.13705700   -2.75055100   -0.25324100
 C                 -0.04223100   -3.46125800   -0.32316200
 C                 -1.32968500   -2.88678600   -0.17483700
 C                 -2.53829600   -3.60970400   -0.07477000
 C                 -3.55433300   -2.67925000    0.09586600
 C                 -2.94769400   -1.39580300    0.03014400
 C                 -3.66775400   -0.15678500    0.04247200
 H                 -4.86667800    2.34175900   -0.70176600
 H                 -3.06390000    4.31253200   -0.97652200
 H                  2.10625900    4.65512500    0.29847300
 H                  4.04649400    2.83851100    0.81228000
 H                  4.42527500   -2.40171600   -0.00496100
 H                  2.66578300   -4.37802700   -0.46443200
 H                 -2.63337400   -4.68540300   -0.11484800
 H                 -4.61401400   -2.87069000    0.20252700
 Fe                -0.23020200   -0.01416600   -0.23142700
 C                 -5.14680800   -0.20847800    0.06851800
 C                 -5.95137200    0.23947700    1.14962700
 C                 -5.83491200   -0.66332500   -1.07351600
 C                 -7.34250700    0.37696500    1.01163100
 C                 -7.21464600   -0.56642800   -1.20800300
 H                 -5.22533700   -1.04577700   -1.88611900
 C                 -7.96897700   -0.01019500   -0.16800500
 H                 -7.96410500    0.78536600    1.79756400
 H                 -7.69753600   -0.88087100   -2.12881400
 H                 -9.04291700    0.11766800   -0.26640500
 C                  4.60204500    0.17547200    0.73077100
 C                  5.46336900    0.60182000   -0.29819000
 C                  5.22166300   -0.24180200    1.93725500
 C                  6.84756300    0.51068900   -0.20633800
 H                  4.99170600    0.95991700   -1.20780300
 C                  6.61667600   -0.37211000    2.02942500
 C                  7.42456400   -0.01135500    0.95570900
 H                  7.47188900    0.80583000   -1.04476200
 H                  7.10443100   -0.75570600    2.91571700
 H                  8.50068700   -0.13315600    1.03622500
 C                 -0.42571100    4.90323200   -0.60246900
 C                  0.33165900    5.45438300   -1.64794800
 C                 -1.17802600    5.77252700    0.20249800
 C                  0.33031200    6.82783700   -1.90627100
 H                  0.93189300    4.78836300   -2.26143800
 C                 -1.18522500    7.14713400   -0.04410300
 H                 -1.75479000    5.35812200    1.02409000
 C                 -0.43489800    7.67601500   -1.09263400
 H                 -1.77209700    7.80794400    0.58922100
 H                 -0.43165400    8.74716700   -1.28036300
 C                  0.04393500   -4.93905000   -0.51947600
 C                 -0.29763000   -5.82922600    0.50994500
 C                  0.48925600   -5.46762900   -1.73831800
 C                 -0.19416500   -7.20796200    0.32146200
 H                 -0.64796400   -5.42692700    1.45600100
 C                  0.59950900   -6.84863800   -1.93866300
 H                  0.75957800   -4.78178500   -2.53691400
 C                  0.25540300   -7.71867200   -0.89668700
 H                 -0.45950500   -7.88691300    1.12814000
 H                  0.34438000   -8.79276300   -1.04219300
 C                 -6.37003300    0.71727400    3.58262900
 H                 -6.87924800    1.66111500    3.38852100
 H                 -7.07969700   -0.10902000    3.58820900
 H                 -5.86060400    0.77171700    4.54526400
 C                 -4.39268900    1.67473300    2.55956700
 H                 -3.47666300    1.42245500    2.03407200
 H                 -4.87922100    2.50756900    2.05396300
 H                 -4.19056900    1.91526200    3.60658800
 C                 -4.55384600   -0.76426900    2.94475900
 H                 -5.25792300   -1.59513800    2.98910000
 H                 -3.78269400   -0.96608300    2.20447600
 H                 -4.11399300   -0.57193100    3.92615500
 C                  3.57725700    0.80163900    3.48108800
 H                  4.27921600    1.62462800    3.61557700
 H                  2.92612800    1.00321000    2.63335000
 H                  2.99513500    0.63269600    4.39006800
 C                  5.24196400   -0.70538200    4.40974600
 H                  5.77010600   -1.65184400    4.29482500
 H                  5.94638300    0.11612000    4.53436300
 H                  4.58387800   -0.75981100    5.27748700
 C                  3.43360100   -1.63749100    3.09565500
 H                  2.62472900   -1.38106200    2.41831400
 H                  3.98076700   -2.48995800    2.69614800
 H                  3.05319200   -1.85126900    4.09772100
 N                 -5.32657600    0.47896600    2.52437600
 N                  4.38367300   -0.45830700    3.19858000
 C                  1.11197600   -7.38825300   -3.24878100
 H                  0.62397300   -8.33398500   -3.50198700
 H                  0.94008100   -6.67379100   -4.05810700
 S                  2.94408900   -7.69101700   -3.10491400
 H                  3.13713500   -8.12339900   -4.37244300
 C                  1.16661600    7.39263900   -3.02525600
 H                  1.37287400    6.62964300   -3.78034200
 H                  0.66317700    8.23736300   -3.50480100
 S                  2.78729200    7.99340400   -2.33087300
 H                  3.30862300    8.43433400   -3.49925200
 C                 -0.15604100   -0.01219300   -1.95296700
 O                 -0.10480800   -0.01198700   -3.10649000

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

-Fe -Cu
LanL2DZ




