! 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   0.9314742229   0.6625342632  -2.1216287115
Cl  -5.3093754041   0.3728696352  -0.4880490202
O    0.5195310648  -0.4273889139   2.2963797482
N    1.3624546913  -3.7776361503   0.0263797877
N    3.2052655031  -2.4507811800  -0.6084633329
C    0.5422192540  -0.2170938940   0.9011353608
C   -0.9312064852  -0.1103959637   0.5047653062
C    1.2089425378   1.1258234301   0.5636308748
C    1.2671381949  -1.4120048712   0.3032377798
C   -1.7542611176   0.7080851519   1.2775874544
C   -1.4898359364  -0.7682990867  -0.5827270135
C    1.3881131697   1.6025935564  -0.7370918435
C    1.6104353314   1.9675478673   1.5992819565
C    0.7248515140  -2.6878861890   0.4240015488
C    2.5519064291  -1.3644331866  -0.2147373333
C   -3.0971150951   0.8611423250   0.9805957232
C   -2.8351478614  -0.6251522771  -0.8946447164
C    1.9470244461   2.8458883494  -0.9929245172
C    2.1693380148   3.2131473114   1.3590473645
C   -3.6297935874   0.1886265594  -0.1086060442
C    2.3396013239   3.6564696241   0.0587115539
C    2.5737984225  -3.6037458412  -0.4800305364
H   -1.3563080833   1.2467748154   2.1272578745
H   -0.8921589862  -1.4091573357  -1.2152009414
H    1.4748501873   1.6542615783   2.6243758189
H    1.4156279705  -0.6071428255   2.6070446222
H   -0.2554742124  -2.8391933850   0.8633038959
H    3.0918129363  -0.4284370068  -0.3025812035
H   -3.7178875180   1.4986176072   1.5953992294
H   -3.2484507872  -1.1494406004  -1.7452965002
H    2.0726474597   3.1788683610  -2.0143948764
H    2.4666582984   3.8342779294   2.1932858868
H    2.7728394797   4.6265355080  -0.1447286060
H    3.0982218558  -4.4918865203  -0.8123974933
*