%nproc=24
%mem=2GB
%chk=ir-F_M1.chk
#p opt b3lyp/gen freq pseudo=read EmpiricalDispersion=GD3BJ scrf=(pcm,solvent=acetonitrile) pop=(orbitals=20) optcyc=300 nosymm

Title Card Required

0 1
 N                  0.80612600   -1.08380900   -1.65974600
 N                  1.03685400   -1.08416700    1.52440700
 N                 -1.83634200   -1.08574500    0.13267700
 H                  0.62746700   -0.85445900   -5.02701400
 H                 -0.64253000    0.81074900   -4.99661000
 H                  2.11486400   -2.83855000   -4.85194200
 H                  2.76498500   -3.68069500   -2.55893200
 H                  1.86866700   -2.47228300   -0.55574400
 H                 -1.89298400    2.59565300   -0.52372900
 H                  0.83941700   -3.68632700    3.66424600
 H                  4.03627800   -0.84585900    3.06377400
 H                 -4.00939500    0.81704300    3.04487700
 H                  3.14476400   -2.83587200    4.25738400
 H                 -3.13293900    2.80566100    4.22779300
 H                  0.49569100    2.59406100    1.90363500
 H                 -0.44610900   -2.47937700    1.88455500
 H                  4.64048400    0.82618800    1.95620100
 H                 -4.66749100   -0.85134000    1.96373100
 H                 -5.25670800   -2.83861400    0.59176500
 H                 -3.59219700   -3.68534200   -1.11186600
 H                  1.39957400    2.59902300   -1.37708900
 H                 -1.40877200   -2.47780600   -1.33560700
 C                  0.44524600   -0.60508600   -2.88561900
 C                 -0.43211100    0.57113600   -2.84489100
 C                  0.91520400   -1.23664900   -4.04863100
 C                 -0.91202500    1.19591700   -4.01093600
 C                  1.74843600   -2.34581300   -3.94977000
 C                  2.11138900   -2.81743900   -2.68337200
 C                 -2.08472100    2.80935800   -2.65608300
 C                  1.61764500   -2.15242200   -1.56740300
 C                 -1.61026900    2.19023400   -1.49724000
 C                  0.55319100   -2.15601800    2.17720500
 C                 -0.49030200    2.19074100    2.14257400
 C                  2.27601100   -0.60104600    1.82973400
 C                 -2.24722600    0.57303900    1.79307500
 C                  1.27215200   -2.82021100    3.16378100
 C                 -1.25936200    2.81276600    3.12894100
 C                  3.04738800   -1.23141600    2.81969800
 C                 -3.01974500    1.20061300    2.78794800
 C                  2.54731900   -2.34396200    3.48793600
 C                 -2.53124700    2.32034500    3.45679000
 C                  2.67745600    0.57791300    1.05262500
 C                 -2.71965500   -0.60455900    1.05484700
 C                  3.92326600    1.20866700    1.22693400
 C                 -3.96239000   -1.23539100    1.22793700
 C                 -4.29177400   -2.34644000    0.45896700
 C                  3.33637200    2.82163200   -0.46663700
 C                 -3.37442900   -2.82055200   -0.48528100
 C                  2.09967400    2.19625600   -0.64247500
 C                 -2.16069300   -2.15602100   -0.61457100
 Ir                 0.00182800    0.02615100   -0.00072100
 C                  1.72331100    1.06145200    0.10606000
 C                 -0.77053300    1.05790200   -1.54542200
 C                  4.25621600    2.33044400    0.47158000
 C                 -1.73693000    2.31457000   -3.92170100
 H                  5.22316400    2.81832600    0.60939700
 H                 -2.10767600    2.79748300   -4.82798700
 C                 -0.95135700    1.05827900    1.43926700
 F                 -0.77559334    3.89674783    3.77194278
 F                  3.64930192    3.90777722   -1.20478565
 F                 -2.88406404    3.89283984   -2.55801263

H     0
S    4   1.00
      1.301000D+01           1.968500D-02
      1.962000D+00           1.379770D-01
      4.446000D-01           4.781480D-01
      1.220000D-01           5.012400D-01
S    1   1.00
      1.220000D-01           1.000000D+00
P    1   1.00
      7.270000D-01           1.0000000
****
C     0
S    9   1.00
      6.665000D+03           6.920000D-04
      1.000000D+03           5.329000D-03
      2.280000D+02           2.707700D-02
      6.471000D+01           1.017180D-01
      2.106000D+01           2.747400D-01
      7.495000D+00           4.485640D-01
      2.797000D+00           2.850740D-01
      5.215000D-01           1.520400D-02
      1.596000D-01          -3.191000D-03
S    9   1.00
      6.665000D+03          -1.460000D-04
      1.000000D+03          -1.154000D-03
      2.280000D+02          -5.725000D-03
      6.471000D+01          -2.331200D-02
      2.106000D+01          -6.395500D-02
      7.495000D+00          -1.499810D-01
      2.797000D+00          -1.272620D-01
      5.215000D-01           5.445290D-01
      1.596000D-01           5.804960D-01
S    1   1.00
      1.596000D-01           1.000000D+00
P    4   1.00
      9.439000D+00           3.810900D-02
      2.002000D+00           2.094800D-01
      5.456000D-01           5.085570D-01
      1.517000D-01           4.688420D-01
P    1   1.00
      1.517000D-01           1.000000D+00
D    1   1.00
      5.500000D-01           1.0000000
****
N     0
S    9   1.00
      9.046000D+03           7.000000D-04
      1.357000D+03           5.389000D-03
      3.093000D+02           2.740600D-02
      8.773000D+01           1.032070D-01
      2.856000D+01           2.787230D-01
      1.021000D+01           4.485400D-01
      3.838000D+00           2.782380D-01
      7.466000D-01           1.544000D-02
      2.248000D-01          -2.864000D-03
S    9   1.00
      9.046000D+03          -1.530000D-04
      1.357000D+03          -1.208000D-03
      3.093000D+02          -5.992000D-03
      8.773000D+01          -2.454400D-02
      2.856000D+01          -6.745900D-02
      1.021000D+01          -1.580780D-01
      3.838000D+00          -1.218310D-01
      7.466000D-01           5.490030D-01
      2.248000D-01           5.788150D-01
S    1   1.00
      2.248000D-01           1.000000D+00
P    4   1.00
      1.355000D+01           3.991900D-02
      2.917000D+00           2.171690D-01
      7.973000D-01           5.103190D-01
      2.185000D-01           4.622140D-01
P    1   1.00
      2.185000D-01           1.000000D+00
D    1   1.00
      8.170000D-01           1.0000000
****
F     0
S    9   1.00
      1.471000D+04           7.210000D-04
      2.207000D+03           5.553000D-03
      5.028000D+02           2.826700D-02
      1.426000D+02           1.064440D-01
      4.647000D+01           2.868140D-01
      1.670000D+01           4.486410D-01
      6.356000D+00           2.647610D-01
      1.316000D+00           1.533300D-02
      3.897000D-01          -2.332000D-03
S    9   1.00
      1.471000D+04          -1.650000D-04
      2.207000D+03          -1.308000D-03
      5.028000D+02          -6.495000D-03
      1.426000D+02          -2.669100D-02
      4.647000D+01          -7.369000D-02
      1.670000D+01          -1.707760D-01
      6.356000D+00          -1.123270D-01
      1.316000D+00           5.628140D-01
      3.897000D-01           5.687780D-01
S    1   1.00
      3.897000D-01           1.000000D+00
P    4   1.00
      2.267000D+01           4.487800D-02
      4.977000D+00           2.357180D-01
      1.347000D+00           5.085210D-01
      3.471000D-01           4.581200D-01
P    1   1.00
      3.471000D-01           1.000000D+00
D    1   1.00
      1.640000D+00           1.0000000
****
Ir     0
lanl2dz
F    1   1.00
      0.9380000              1.0000000
****

Ir     0
lanl2dz











