%nproc=24
%mem=20GB
%chk=ir-phen_M1_conf4.chk
#p opt b3lyp/gen freq pseudo=read EmpiricalDispersion=GD3BJ scrf=(pcm,solvent=acetonitrile) pop=(orbitals=20) optcyc=300 nosymm

Title Card Required

1 1
 N                 -1.94341900   -1.14949200    0.19940300
 H                  0.67900700   -3.65097800    3.67981100
 H                 -0.69579300    3.68706700    3.55489000
 H                  3.98011800   -0.96502400    2.94105700
 H                 -3.98643700    0.96306800    3.06061600
 H                  3.02741900   -2.88277800    4.21155500
 H                 -2.99610800    2.93528000    4.17458600
 H                  0.59290200    2.47119100    1.82872500
 H                 -0.58791000   -2.44985400    1.89260900
 H                  4.63645500    0.68872300    1.75188700
 H                 -4.75035200   -0.68695800    2.02117300
 H                 -5.45209100   -2.68594200    0.72284900
 H                  3.55109400    3.45502700   -1.36114200
 H                 -3.84313000   -3.69046700   -0.94578600
 H                  1.33030800    2.39785400   -1.56200800
 H                 -1.59452900   -2.62331100   -1.21244800
 C                  0.42684100   -2.15895900    2.15690100
 C                 -0.40977700    2.12769300    2.08771300
 C                  2.21354300   -0.68369400    1.73569700
 C                 -2.25384900    0.59093600    1.80100800
 C                  1.13955000   -2.81916500    3.14796200
 C                 -1.13744100    2.81674900    3.06285800
 C                  2.97214500   -1.31818000    2.72894600
 C                 -2.98193800    1.28676700    2.78271700
 C                  2.43838600   -2.38842800    3.43777900
 C                 -2.42745600    2.39834800    3.41323200
 C                  2.64277600    0.45021900    0.91619400
 C                 -2.79396100   -0.58513800    1.10331900
 C                  3.90598600    1.05582800    1.02840600
 C                 -4.06912200   -1.13638900    1.30057700
 C                 -4.46127800   -2.25463500    0.57199200
 C                  3.29718000    2.60808400   -0.71861100
 C                 -3.57546200   -2.81595300   -0.35348300
 C                  2.04028500    2.00542900   -0.83091600
 C                 -2.32623800   -2.22765100   -0.50764100
 Ir                -0.05611900   -0.10249400   -0.00667600
 C                  4.23361300    2.13651600    0.21209000
 H                  5.21337200    2.60971800    0.29763700
 C                 -0.94245500    1.00560200    1.42845000
 C                  1.48119100   -2.33073500   -1.66574600
 C                  0.25895200   -0.76598900   -2.86844800
 C                 -0.58583400    0.38930000   -2.82877600
 C                 -1.06561600    0.95665100   -4.03143200
 C                 -0.68961800    0.35103100   -5.27981700
 C                  0.11994400   -0.74872000   -5.31771000
 C                  0.62187000   -1.34055500   -4.10846300
 C                  1.46684900   -2.47389700   -4.07340200
 C                  1.89504900   -2.96352600   -2.85191100
 H                  2.54919400   -3.83282000   -2.78993600
 H                  1.77390400   -2.94854600   -5.00663100
 H                 -1.06711900    0.79391200   -6.20258500
 H                  0.40005300   -1.19881600   -6.27110000
 C                 -1.67587700    1.98594800   -1.53050800
 C                 -1.89221300    2.09853900   -3.93081400
 H                 -2.28161300    2.56669100   -4.83589200
 C                 -2.19353300    2.60557500   -2.67965700
 H                 -2.82739500    3.48408900   -2.56316800
 N                 -0.88947400    0.90675600   -1.59668400
 N                  0.68087800   -1.26554000   -1.67178200
 H                  1.80119100   -2.69249500   -0.68821300
 H                 -1.88864000    2.36277900   -0.53174000
 C                  0.94580000   -1.12493100    1.46369700
 N                  1.67830300    0.91669800   -0.01926700

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











