! 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   1.8836802855  -0.6770361844   2.6509481669
Cl  -6.8930856469   2.5153273334  -2.2312695141
O    3.1712291968   0.7856090125  -1.4139429519
O    3.7316491348   0.3639293448   0.6927326804
O   -2.6654143505  -0.2549506427   0.7236888723
N    3.2097782800  -2.4878494268   0.2027685786
N    2.0724685185  -3.1807634955   0.2917940836
N    3.5009768854  -3.8089649020   1.8970619823
C    2.9252627035  -0.0852072648  -0.3442939250
C    3.6006365693   2.0461235020  -0.8901489144
C    3.4004312008  -1.4697937682  -0.7947736932
C    3.6960695026   1.7761469579   0.6170863508
C    1.4357284486  -0.0791774157   0.0056601573
C    4.9122138486   2.4376766249  -1.5318446144
C    0.9008262488  -0.3450100596   1.2646722646
C    0.5237002790   0.1346251573  -1.0258779828
C   -0.4672982710  -0.3639462278   1.4863635176
C   -0.8465099376   0.0965355288  -0.8398120209
C   -1.3408079633  -0.1495979289   0.4329730547
C    4.0498423494  -2.8687925315   1.1689748176
C    2.2913457435  -3.9569427603   1.3213138255
C   -3.6038290810   0.4170277741  -0.0086909025
C   -3.4750756606   1.7651689221  -0.3161183921
C   -4.7417270248  -0.2837960589  -0.3775391757
C   -4.4885670588   2.4097576710  -1.0069187765
C   -5.7619213011   0.3635388647  -1.0564724514
C   -5.6252915059   1.7053542836  -1.3725794264
H    2.8394671577   2.8026539750  -1.1009585949
H    4.4621615168  -1.4155636584  -1.0373034891
H    2.8633252243  -1.7689567148  -1.6936871317
H    4.6047512670   2.1717252476   1.0710044841
H    2.8352606270   2.1835418821   1.1581585341
H    4.8221596357   2.4885891679  -2.6176952585
H    5.2199395873   3.4238194377  -1.1819362234
H    5.7046509516   1.7284439863  -1.2849460613
H    0.8926347952   0.3301181978  -2.0234394755
H   -0.8588629717  -0.5592406568   2.4759330455
H   -1.5035341035   0.2499666514  -1.6852740432
H    5.0341231925  -2.4455074690   1.2928969915
H    1.5530182373  -4.6643719454   1.6657815437
H   -2.5978689770   2.3253343075  -0.0185791542
H   -4.8376928435  -1.3329272571  -0.1293414621
H   -4.3884437838   3.4594638648  -1.2470991228
H   -6.6498839905  -0.1845536217  -1.3401610980
*