! 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   2.1350898890  -0.8532515904  -1.8594054906
Cl   0.0803173826  -5.3123447166   0.2073360069
O   -0.8814135079   1.2567552755   0.7622596809
O    0.1802918947   1.2126838152  -1.2173648653
N    1.5567964489   2.6513549181   0.8706833662
N    2.1798608600   3.3433382915  -0.0860079327
N    1.2232202593   4.7316133191   1.3879709694
C    0.2268717190   0.7320491706   0.0925877540
C   -1.7905024804   1.8246582911  -0.1792193931
C   -0.8625541364   2.1625616996  -1.3366316560
C   -2.9210806857   0.8765600512  -0.5426831635
C    1.4804341586   1.2156854221   0.8400520569
C    0.2101999363  -0.7941814115   0.0880094658
C   -3.8283540971   0.5284195321   0.6302838216
C    1.0162582761  -1.5667518780  -0.7471564061
C   -0.6111050749  -1.4726041441   0.9827808912
C   -4.9063344510  -0.4749773200   0.2515869345
C    0.9801137328  -2.9534418967  -0.7184142942
C   -0.6657410574  -2.8547987047   1.0346544918
C    0.9851494734   3.4913513606   1.7383556648
C    0.1310638066  -3.5857412746   0.1720290938
C    1.9580764365   4.5832598178   0.2670716444
H   -2.2018732991   2.7287955374   0.2767266468
H   -1.3356057908   2.0449080484  -2.3127980570
H   -0.4742657438   3.1838193279  -1.2676398294
H   -2.5172565195  -0.0344957247  -0.9980347790
H   -3.5184396651   1.3650033564  -1.3193721512
H    2.3864954939   0.8370602993   0.3719123609
H    1.4557391980   0.8426753283   1.8641155197
H   -4.2942498413   1.4444354613   1.0063947026
H   -3.2410004540   0.1264082369   1.4591990830
H   -1.2321718234  -0.9103681260   1.6648186285
H   -4.4698127458  -1.4254757995  -0.0620181010
H   -5.5707378168  -0.6813011533   1.0919063232
H   -5.5234256900  -0.1098593106  -0.5719108222
H    1.6100581410  -3.5278416825  -1.3833759730
H   -1.3219586963  -3.3459675266   1.7394530937
H    0.4256824317   3.1586647932   2.5980839056
H    2.3434807298   5.4146728702  -0.3025585578
*