! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl   0.7445133313  -0.4917535000   2.3659669037
Cl  -7.0104816817  -2.1022867361   0.6340984792
O    3.2773948201  -1.2431916813   1.0325065003
O    3.8765226955  -0.1751322593  -0.8564027014
O   -2.2837954268   0.5809289005  -1.5451848783
N    3.2532182910   2.3691816028   0.4936050277
N    4.0874189213   2.8603714786  -0.4245727541
N    2.2898365736   4.1795465946  -0.2149351479
C    3.0634577158  -0.0837494350   0.2782149719
C    4.0162299751  -2.1765268145   0.2471211391
C    3.4996797970   1.1111624657   1.1477315476
C    4.7888421878  -1.2430206011  -0.6672306866
C    1.6145533078   0.0591461652  -0.1708139427
C    3.1116007415  -3.1485928373  -0.4831397217
C    0.5307761041  -0.1047994757   0.6881106785
C    1.3228700917   0.4193018129  -1.4849048537
C   -0.7806876442   0.0513283572   0.2643956729
C    0.0262175563   0.5748950566  -1.9372065692
C   -1.0294701573   0.3810608702  -1.0593884684
C    2.1837603401   3.1623048418   0.6037812622
C    3.4720315041   3.9452169121  -0.8183305908
C   -3.3538622245  -0.0726036686  -0.9964257320
C   -3.3454919869  -1.4467806662  -0.7947420232
C   -4.4830867466   0.6762545729  -0.7056955163
C   -4.4728767515  -2.0710465289  -0.2868328656
C   -5.6168136842   0.0502659683  -0.2105806632
C   -5.6009829935  -1.3184119607   0.0024974557
H    4.6783712813  -2.7174649312   0.9256587194
H    4.5642810561   1.0358932415   1.3706671981
H    2.9643495715   1.1097720325   2.0956236512
H    5.7173770117  -0.8943555359  -0.2021125036
H    5.0290110996  -1.6746602859  -1.6392558943
H    2.4992097297  -2.6549301320  -1.2397890270
H    2.4456751952  -3.6586179971   0.2136611714
H    3.7120079898  -3.9093761471  -0.9840314027
H    2.1301788850   0.5745542521  -2.1858841468
H   -1.5891573896  -0.0790053196   0.9713863885
H   -0.1649925444   0.8465054826  -2.9670794550
H    1.3730572299   2.9669060337   1.2887865670
H    3.8934977394   4.5976514462  -1.5674320906
H   -2.4725279577  -2.0407626514  -1.0337659944
H   -4.4835009006   1.7458462722  -0.8708551933
H   -4.4669795069  -3.1407497045  -0.1283008202
H   -6.4988939103   0.6346575307   0.0126172231
*