! 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  -4.6304649775  -1.5418166706   0.1308399231
O    1.6492755627   0.1435164652  -1.4605348956
N    0.5325264250   2.1619320854   0.4181479266
N    0.4493436890   2.6429472057  -0.8248698938
N   -1.1035639498   3.5839118842   0.4742241280
C    3.5330081892  -0.8831371830   0.6926403983
C    4.7281860820  -1.7665850195   0.4886189780
C    4.5428762839  -0.5477794179  -0.3596612482
C    2.1113655924  -1.3137923638   0.3693881072
C    1.2457652368  -0.1337104110  -0.1450383756
C    2.0327323325  -2.5022626652  -0.5831886486
C    1.4737537899   1.1137000054   0.7377635448
C   -0.2338019127  -0.5088841993  -0.0866375854
C   -0.8581755378  -0.7425575658   1.1378471485
C   -1.0007277765  -0.6137044897  -1.2408944337
C   -2.2037347373  -1.0613595707   1.2154236175
C   -2.3502170068  -0.9342143353  -1.1832232816
C   -0.4048338687   2.7235846389   1.1790864015
C   -2.9437679850  -1.1517294900   0.0471597613
C   -0.5453675117   3.4922902962  -0.7448529889
H    3.6010904821  -0.2726824005   1.5875688915
H    4.5953955840  -2.7321334298   0.0177313851
H    5.4968367227  -1.7541797653   1.2512090548
H    5.1878644609   0.3058408972  -0.1903724369
H    4.2711154077  -0.6941115623  -1.3964678714
H    1.6628421795  -1.6319538958   1.3166398820
H    2.4462065079  -3.3942882828  -0.1134302081
H    2.5742508213  -2.3362219649  -1.5147728594
H    0.9997382264  -2.7351707818  -0.8439593290
H    2.4836053639   1.4954626745   0.5869919730
H    1.3602232543   0.8863463988   1.7966869187
H    1.2914997597   1.0073343753  -1.7187661656
H   -0.2996855797  -0.6799129596   2.0641228113
H   -0.5531489056  -0.4544984610  -2.2120486711
H   -2.6657900043  -1.2333704471   2.1781159603
H   -2.9268782382  -1.0107662080  -2.0952499453
H   -0.5342299901   2.4856385021   2.2231230201
H   -0.8748754527   4.0666431710  -1.5964903873
*