! 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   5.5864366700  -0.0030713120   0.2665372433
O   -0.1397082994  -0.6639854640  -0.7767158890
O   -2.6245432408  -0.7837487140  -1.6780944858
N   -1.2703892947   1.2148900984   0.0626807908
N   -1.2629056851   1.9125320651   1.2043398126
N   -1.4733176707   3.2797780032  -0.5540853792
C   -3.4071121116  -1.4972830895   0.4803488279
C   -2.4458575181  -0.8518625826  -0.4909823575
C   -1.1467595970  -0.2288444419   0.0734324676
C   -2.6935109463  -2.6822920508   1.1480683173
C   -3.8173175372  -0.4697372979   1.5437973555
C   -4.6416230190  -1.9925279230  -0.2649357760
C    1.1693335207  -0.4693540115  -0.4520500835
C   -1.3963131271   2.0457470512  -0.9820751237
C    2.0841807949  -0.9783966360  -1.3688075456
C    1.6176253147   0.1795035051   0.6906103596
C   -1.3904166022   3.1430587084   0.7861029325
C    3.4414501544  -0.8396171296  -1.1495109759
C    2.9829148252   0.3177385939   0.9088235305
C    3.8856519056  -0.1875613106  -0.0079559662
H   -0.9711039312  -0.5099229822   1.1144926322
H   -1.8394449528  -2.3796661170   1.7555078324
H   -3.3911422888  -3.1907319988   1.8150818546
H   -2.3460307545  -3.4114081690   0.4144972675
H   -2.9794101005  -0.1076074129   2.1405879573
H   -4.5188764862  -0.9377326440   2.2358981787
H   -4.3167008397   0.3943753987   1.1025702284
H   -5.3353268458  -2.4526005745   0.4399579083
H   -4.3919865907  -2.7428236245  -1.0159564773
H   -5.1718297220  -1.1802139734  -0.7636257132
H   -1.4194801849   1.7182892297  -2.0092731364
H    1.7298620164  -1.4860878036  -2.2567449496
H    0.9441005838   0.5956648429   1.4271705267
H   -1.4220453325   3.9758452722   1.4710092716
H    4.1435019027  -1.2391971551  -1.8684331364
H    3.3260802093   0.8277384303   1.7984959405
*