%nproc=24
%mem=2GB
%chk=ir-dF_M3.chk
#p opt b3lyp/gen freq pseudo=read EmpiricalDispersion=GD3BJ scrf=(pcm,solvent=acetonitrile) pop=(orbitals=20) optcyc=300 nosymm

Title Card Required

0 3
 N                  0.80487900   -1.08661000   -1.65530800
 N                  1.03291800   -1.08651700    1.52264200
 N                 -1.83383700   -1.08886500    0.13165800
 H                  0.66924900   -0.87834800   -5.02165700
 H                  2.15611900   -2.85698600   -4.81450200
 H                  2.77817200   -3.68668800   -2.50870300
 H                  1.85245000   -2.46593700   -0.52742800
 H                 -1.90621700    2.57586000   -0.48155100
 H                  0.78984400   -3.69048500    3.65398000
 H                  4.01394400   -0.87285400    3.09191000
 H                  3.09470300   -2.85545700    4.27220500
 H                 -3.08066000    2.84622600    4.22046400
 H                  0.53501000    2.57728200    1.88989300
 H                 -0.46412700   -2.47074900    1.86176300
 H                 -4.68183500   -0.88064100    1.93164400
 H                 -5.24406700   -2.86151600    0.54303900
 H                 -3.55763100   -3.69155900   -1.14789200
 H                  1.36553100    2.57990500   -1.40763800
 H                 -1.38022700   -2.46933000   -1.33859100
 C                  0.45676700   -0.61195000   -2.88861300
 C                 -0.42333400    0.56246300   -2.84179900
 C                  0.94450800   -1.25279000   -4.04110800
 C                 -0.92644400    1.23532100   -3.96626100
 C                  1.77818800   -2.36042600   -3.91927300
 C                  2.12566300   -2.82511000   -2.64817200
 C                 -2.07508100    2.79196700   -2.60264100
 C                  1.61574100   -2.15312300   -1.54426100
 C                 -1.61322200    2.17183800   -1.45026500
 C                  0.53343800   -2.15533100    2.16714800
 C                 -0.45034700    2.17298900    2.12026400
 C                  2.27351600   -0.60908600    1.83979800
 C                 -2.24925800    0.56206800    1.78643100
 C                  1.23512200   -2.82691200    3.16053200
 C                 -1.21832400    2.79376500    3.09529400
 C                  3.02828100   -1.24933600    2.83843100
 C                 -2.97246200    1.23562500    2.78323500
 C                  2.50800700   -2.35927500    3.49733300
 C                 -2.48912400    2.35033400    3.45289400
 C                  2.67084700    0.56730800    1.05604200
 C                 -2.72850200   -0.61371200    1.04894200
 C                  3.89387500    1.24386300    1.18531400
 C                 -3.96993100   -1.25535500    1.20349500
 C                 -4.28025200   -2.36426700    0.42201500
 C                  3.28488100    2.80079600   -0.49019100
 C                 -3.35283800   -2.82911100   -0.51402100
 C                  2.05819900    2.17702000   -0.66914900
 C                 -2.14240000   -2.15624000   -0.62518100
 Ir                 0.00043000    0.01301700   -0.00039400
 C                  1.71833000    1.04936300    0.09942300
 C                 -0.77478800    1.04622100   -1.53900600
 C                  4.23014400    2.35952300    0.43240900
 C                 -1.74957400    2.34887900   -3.88214700
 H                  5.18924300    2.85784700    0.56197800
 H                 -2.11963900    2.84430900   -4.77802100
 C                 -0.94557100    1.04646900    1.43939100
 F                 -0.72147600    3.88059000    3.73446400
 F                  3.58804500    3.88861500   -1.23941000
 F                 -2.87837100    3.87777300   -2.49154500
 F                 -4.21379800    0.81018100    3.14316800
 F                 -0.61742500    0.81021400   -5.22135900
 F                  4.82620700    0.82068100    2.08148400

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











