%nproc=24
%mem=20GB
%chk=ru-phen3_M1.chk
#p opt b3lyp/gen freq pseudo=read EmpiricalDispersion=GD3BJ scrf=(pcm,solvent=acetonitrile) pop=(orbitals=20) optcyc=300 nosymm

Title Card Required

2 1
 Ru                 0.07065100   -0.03545100   -0.01329800
 C                  1.37510600   -2.44056900   -1.57964500
 C                  0.14017900   -0.83402800   -2.81482600
 C                 -0.60725100    0.34834300   -2.80378100
 C                 -1.13984600    0.90293700   -4.01065100
 C                 -0.86749800    0.19814000   -5.23548800
 C                 -0.12542900   -0.94904500   -5.24787000
 C                  0.41571400   -1.51739900   -4.03604500
 C                  1.18785500   -2.68106400   -3.98498000
 C                  1.68100000   -3.13600400   -2.72951600
 H                  2.29391100   -4.03456000   -2.66292000
 H                  1.41053000   -3.22860300   -4.90178300
 H                 -1.26601200    0.60742500   -6.16591600
 H                  0.07687300   -1.46281100   -6.18987000
 C                 -1.52104100    2.11058100   -1.53116300
 C                 -1.87771000    2.08542000   -3.92462500
 H                 -2.29552700    2.53029700   -4.82943600
 C                 -2.07224600    2.69245100   -2.67063700
 H                 -2.64308900    3.61473500   -2.57118700
 N                 -0.80254400    0.97566500   -1.57621500
 N                  0.60844700   -1.31305000   -1.58886300
 H                  1.72693700   -2.76829000   -0.60115500
 H                 -1.64407600    2.55754000   -0.54508900
 N                  1.05830998   -1.08429295    1.45241252
 C                  2.32553547   -0.57470895    1.72269794
 C                  0.61910208   -2.14429936    2.15225879
 C                  2.74978546    0.53252817    0.98053037
 C                  3.16724792   -1.17288041    2.71339376
 C                  1.38896358   -2.76263624    3.13499651
 H                 -0.37971556   -2.50006867    1.90117432
 C                  4.04810054    1.09118016    1.17178209
 N                  1.85772246    1.06283135    0.04526334
 C                  4.46993319   -0.59295397    2.90790422
 C                  2.67795179   -2.27520318    3.41737076
 H                  0.97947728   -3.62027719    3.66709873
 C                  4.88959286    0.47971180    2.17297087
 C                  4.42295859    2.18252241    0.38350605
 C                  2.26496978    2.11548808   -0.71972916
 H                  5.12545225   -1.03702979    3.65964574
 H                  3.29875828   -2.75091202    4.17859998
 H                  5.88569261    0.89827170    2.33057323
 C                  3.51088190    2.68902465   -0.58495863
 H                  5.40741721    2.63479283    0.51079920
 H                  1.53871300    2.48645535   -1.44330581
 H                  3.78187254    3.53238828   -1.21962362
 N                 -1.75944515   -1.05537379    0.09086959
 C                 -2.62020580   -0.52708206    1.04930033
 C                 -2.16973847   -2.09974614   -0.64889235
 C                 -2.16453469    0.56320545    1.79790689
 C                 -3.91726645   -1.09020380    1.26906089
 C                 -3.42409531   -2.68389573   -0.48715547
 H                 -1.45721709   -2.47132271   -1.38475648
 C                 -2.97157347    1.13866090    2.82349488
 N                 -0.89162699    1.05954904    1.50623704
 C                 -4.72872727   -0.49335374    2.29689321
 C                 -4.30692690   -2.17721668    0.48377270
 H                 -3.69921454   -3.53031469   -1.11504413
 C                 -4.27793848    0.56253342    3.03766639
 C                 -2.45159137    2.21134770    3.55280089
 C                 -0.40921369    2.09449886    2.25142585
 H                 -5.72118992   -0.91068501    2.47821164
 H                 -5.29086348   -2.62622307    0.63016808
 H                 -4.90676731    0.99428746    3.81895273
 C                 -1.14060950    2.68280855    3.26056220
 H                 -3.04745455    2.67586171    4.33962022
 H                  0.59277106    2.43888142    1.99441224
 H                 -0.70733281    3.51088687    3.82096867

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
****
Ru     0
lanl2dz
F    1   1.00
      1.2350000              1.0000000
****

Ru     0
lanl2dz











