%nprocshared=24
%mem=100GB
%chk=dppf_new_bb_m11l
#p M11l/genecp nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full sp scrf(smd,solvent=benzene)

dppf new isomer bb

0 1
 Fe                 2.55394900    2.39568400   -4.21095700
 P                  4.92344500    4.94951900   -3.86175300
 P                  0.42927900    0.73424200   -2.04631800
 C                  4.45186800    3.18288100   -4.00037300
 C                  0.73055600    1.98642200   -3.34476500
 C                  1.16579100    1.56081000   -0.55655900
 C                  0.49479700    2.52654300    0.20950800
 H                 -0.50592500    2.83924200   -0.07315300
 C                  1.09618400    3.07881700    1.34180900
 H                  0.55955200    3.82065800    1.92806900
 C                  2.38226900    2.68562500    1.71974300
 H                  2.84791700    3.11501700    2.60313300
 C                  3.06374400    1.73038100    0.96187300
 H                  4.06145200    1.41194800    1.25288100
 C                  2.45226700    1.16422900   -0.15825100
 H                  2.97696700    0.40027200   -0.72608400
 C                 -1.37872500    0.97230300   -1.71888600
 C                 -2.15354700    1.99383900   -2.28886000
 H                 -1.69160400    2.71333200   -2.95805400
 C                 -3.51664400    2.09686700   -1.99912800
 H                 -4.10337600    2.89320900   -2.45026800
 C                 -4.12312000    1.18664200   -1.13184400
 H                 -5.18314900    1.26927700   -0.90668200
 C                 -3.36131200    0.16460000   -0.55893200
 H                 -3.82672000   -0.55110500    0.11390300
 C                 -2.00363600    0.05443600   -0.85759500
 H                 -1.42133600   -0.75203200   -0.41673100
 C                  1.03582100    3.38526600   -3.22531300
 H                  1.18238300    3.92314200   -2.29890900
 C                  1.19063200    3.92014500   -4.53754100
 H                  1.47304800    4.93581900   -4.77249600
 C                  0.98449600    2.86789600   -5.47849600
 H                  1.08035200    2.94798700   -6.55341800
 C                  0.70610000    1.67640700   -4.74898900
 H                  0.54453100    0.69237500   -5.17008700
 C                  4.18404100    2.21907100   -2.96915900
 H                  4.14969500    2.42166400   -1.90941800
 C                  3.90571300    0.96472000   -3.58513000
 H                  3.61133300    0.05586000   -3.07695700
 C                  3.99276200    1.13547800   -4.99978700
 H                  3.78598600    0.37854400   -5.74491700
 C                  4.33014700    2.49559000   -5.25702600
 H                  4.43720900    2.95529700   -6.23099100
 C                  6.47292000    4.81027600   -2.85498800
 C                  7.30653800    3.68363300   -2.93283500
 H                  7.00571700    2.82771400   -3.53002900
 C                  8.51745200    3.64356600   -2.23805600
 H                  9.14599200    2.75913200   -2.30640600
 C                  8.91720000    4.72737800   -1.45456100
 H                  9.85772700    4.69338700   -0.91114400
 C                  8.09845600    5.85677400   -1.37437700
 H                  8.39882300    6.70621300   -0.76602300
 C                  6.89144400    5.90002700   -2.07182200
 H                  6.26109000    6.78229200   -1.99312600
 C                  3.73578900    5.59529100   -2.59444300
 C                  2.79315000    6.54334200   -3.01875100
 H                  2.82162000    6.90056900   -4.04555200
 C                  1.81811000    7.02852500   -2.14322100
 H                  1.09040200    7.75637500   -2.49243400
 C                  1.78592600    6.58108400   -0.82186100
 H                  1.02851600    6.95369200   -0.13718300
 C                  2.73939300    5.65994600   -0.37770500
 H                  2.72196500    5.30853100    0.64829600
 C                  3.70685200    5.17285200   -1.25539600
 H                  4.44865500    4.46783400   -0.89343000

Fe P C H 0
6-311+G(d,p)
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