%nproc=24
%mem=2GB
%chk=irCN_M3.chk
#p opt b3lyp/gen freq pseudo=read EmpiricalDispersion=GD3BJ scrf=(pcm,solvent=acetonitrile) pop=(orbitals=20) optcyc=300 nosymm

Title Card Required

3 3
 N                  0.77670300   -1.02770300   -1.65098100
 N                  1.01126200   -1.08226700    1.50472900
 N                 -1.00348600    1.03170900    1.44236700
 N                 -1.82931900   -1.10474700    0.11104900
 H                  0.66764400   -0.79208700   -5.02282000
 H                 -0.70020100    0.92877900   -4.99167400
 H                  2.16375500   -2.77122000   -4.81283700
 H                  2.75755900   -3.61113900   -2.50846600
 H                 -2.76282400    3.65779400   -2.64360900
 H                  1.82062300   -2.41976300   -0.52366100
 H                 -1.97111300    2.61343600   -0.53754900
 H                  0.79083100   -3.61577100    3.71358800
 H                 -0.77038600    3.64304500    3.55815900
 H                  3.97357300   -0.76521600    3.10689400
 H                 -3.94332000    0.75913900    3.09076900
 H                  3.06686300   -2.72450700    4.33871300
 H                 -3.03540000    2.76391000    4.24864600
 H                  0.46263800    2.46758500    1.74170300
 H                 -0.46457000   -2.49170300    1.86966500
 H                  4.61872900    0.88168100    1.88083800
 H                 -4.59306200   -0.91210700    2.04819200
 H                 -5.19991100   -2.90523300    0.69345500
 H                  3.69591800    3.57313100   -1.13601500
 H                 -3.58836600   -3.72258000   -1.06732300
 H                  1.46653200    2.55513500   -1.50712200
 H                 -1.43247100   -2.49549400   -1.37366100
 C                  0.44299900   -0.55702100   -2.88959900
 C                 -0.44757000    0.60951600   -2.84655900
 C                  0.93560300   -1.17497100   -4.03939300
 C                 -0.93308500    1.24283400   -3.97596200
 C                  1.77344800   -2.28148500   -3.92042200
 C                  2.10528700   -2.75015100   -2.64822000
 C                 -2.10584700    2.78989900   -2.64751100
 C                  1.59043200   -2.09520400   -1.53605800
 C                 -1.65171300    2.19020200   -1.48854300
 C                  0.51959500   -2.13865500    2.17462900
 C                 -0.51270800    2.11825200    2.07170000
 C                  2.23713500   -0.58671200    1.82849800
 C                 -2.22636600    0.54175800    1.80220000
 C                  1.22636500   -2.76021000    3.19887400
 C                 -1.21062900    2.76780000    3.08232000
 C                  2.99462500   -1.16580700    2.84874200
 C                 -2.96981000    1.15612300    2.81169800
 C                  2.48495200   -2.26332900    3.54025000
 C                 -2.46065300    2.27869400    3.45973600
 C                  2.64145400    0.57015200    1.00993000
 C                 -2.68780300   -0.64506000    1.05918100
 C                  3.86838800    1.19458600    1.15764200
 C                 -3.91026900   -1.28135900    1.28610800
 C                 -4.24944200   -2.39853000    0.52513700
 C                  3.35243800    2.72130300   -0.55208900
 C                 -3.36138200   -2.85484000   -0.44921000
 C                  2.11531600    2.13447200   -0.74099200
 C                 -2.15920500   -2.17773600   -0.62753800
 Ir                -0.01476700    0.01674700   -0.05220300
 C                  1.70541800    1.03697200    0.03739700
 C                 -0.80160000    1.07043000   -1.54319700
 N                  4.20833800    2.25311500    0.38716200
 N                 -1.74825800    2.31738600   -3.86728000
 C                 -2.23160500    2.97242100   -5.09891400
 H                 -1.37501100    3.38370000   -5.64771500
 H                 -2.75441500    2.23281500   -5.71766500
 H                 -2.91844800    3.77824400   -4.82430200
 C                  5.52606100    2.88808400    0.58976100
 H                  5.58804300    3.26442100    1.61832400
 H                  6.31358800    2.14493500    0.41393800
 H                  5.63234500    3.71700500   -0.11604200

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
****
Ir     0
lanl2dz
F    1   1.00
      0.9380000              1.0000000
****

Ir     0
lanl2dz











