%nproc=24
%mem=2GB
%chk=ir-F_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                  0.80069700   -1.09181800   -1.65952700
 N                  1.03928100   -1.09190500    1.52068100
 N                 -1.83508900   -1.09376800    0.13772500
 H                  0.62806100   -0.85321800   -5.02666100
 H                 -0.62919200    0.83149500   -4.99260600
 H                  2.10392500   -2.84491700   -4.85366200
 H                  2.74637500   -3.69681700   -2.56219800
 H                  1.85370500   -2.48923600   -0.55711500
 H                 -1.89661500    2.61311100   -0.51831400
 H                  0.85301200   -3.70220000    3.65090600
 H                  4.03880000   -0.84766000    3.05946500
 H                 -4.01181400    0.83565000    3.03503600
 H                  3.15515300   -2.84443500    4.24557300
 H                 -3.11849000    2.84888300    4.20587300
 H                  0.50010800    2.61299200    1.90203700
 H                 -0.43811900   -2.49468100    1.87588600
 H                  4.63306900    0.84380300    1.95972500
 H                 -4.66683800   -0.85307400    1.96749400
 H                 -5.25234800   -2.84786200    0.60673300
 H                 -3.58721400   -3.70217300   -1.09236300
 H                  1.39318500    2.61751900   -1.38063800
 H                 -1.40521900   -2.49373100   -1.32278300
 C                  0.44421500   -0.60768200   -2.88454300
 C                 -0.42599700    0.57228800   -2.84206200
 C                  0.91218500   -1.23880600   -4.04857700
 C                 -0.89728900    1.20809000   -4.00399800
 C                  1.73903100   -2.35250600   -3.95076000
 C                  2.09778600   -2.82969400   -2.68512200
 C                 -2.04529100    2.79611500   -2.64487600
 C                  1.60624500   -2.16527000   -1.56823100
 C                 -1.59776200    2.19030300   -1.47825700
 C                  0.55974000   -2.16818900    2.16960800
 C                 -0.48140800    2.19120000    2.12165000
 C                  2.27655700   -0.60464500    1.82712600
 C                 -2.24853700    0.57345000    1.78774200
 C                  1.28180600   -2.83259200    3.15331800
 C                 -1.26960100    2.79888900    3.08999600
 C                  3.05109200   -1.23549300    2.81429100
 C                 -3.02085900    1.21125100    2.77429600
 C                  2.55529800   -2.35213600    3.47833300
 C                 -2.53852700    2.33662100    3.43812700
 C                  2.67246900    0.57783800    1.05481600
 C                 -2.71902400   -0.60808800    1.05695700
 C                  3.91134900    1.21838200    1.23182800
 C                 -3.96089600   -1.23955400    1.23380400
 C                 -4.28817800   -2.35512800    0.47096700
 C                  3.30615600    2.80668400   -0.44098700
 C                 -3.37041000   -2.83362600   -0.47082200
 C                  2.07504400    2.19619000   -0.64095700
 C                 -2.15766100   -2.16872100   -0.60389800
 Ir                 0.00086300    0.01894300   -0.00029000
 C                  1.71634300    1.05831600    0.10663800
 C                 -0.76749200    1.05492000   -1.54032700
 C                  4.24275400    2.34546700    0.48374100
 C                 -1.71469600    2.33246300   -3.91795900
 H                  5.19630700    2.85986400    0.60340300
 H                 -2.09205600    2.84309400   -4.80398900
 C                 -0.94988200    1.05542400    1.43398000
 F                 -0.78663000    3.89658900    3.73099900
 F                  3.61743400    3.90629300   -1.17793000
 F                 -2.84274000    3.89319400   -2.54683300

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











