! 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  -0.2962449541  -0.2681325366  -2.1033390330
Cl   4.0606288371  -2.0107084791   0.4516903943
O   -0.8088206866   2.5054189265   1.1997685758
N   -2.3717437787  -0.7391447845   0.6780107425
N   -3.3029333547  -2.1966371269  -0.6878119687
C   -0.9818158478   1.2950858747   0.5082644917
C   -2.0638310384   0.5329893095   1.2823768159
C    0.2999624856   0.4944018303   0.4395005468
C    0.6764848476  -0.2543234728  -0.6700212383
C    1.1335133055   0.4472086663   1.5543414682
C   -1.7318648331  -1.9305457928   0.8864048602
C   -3.2987852117  -0.9559765744  -0.2825778961
C   -0.0324450891   3.4761232065   0.5140029589
C    1.8297593874  -1.0258563703  -0.6811230415
C    2.2895996130  -0.3119348271   1.5756048495
C    2.6252512190  -1.0469428508   0.4497419762
C   -2.3242947543  -2.8161984872   0.0351357033
C   -0.6827529103   3.9459735084  -0.7490294322
C   -0.1400682619   3.8000708167  -1.9508584057
H   -1.3546069247   1.4821001156  -0.5046424547
H   -1.7476064139   0.3699806086   2.3136521552
H   -2.9730561209   1.1340693936   1.3086704668
H    0.8739703789   1.0211335389   2.4349504453
H   -0.9413184044  -2.0456688346   1.6094136748
H   -3.9469087961  -0.1677239601  -0.6351420627
H    0.0717195854   4.3065525105   1.2154977890
H    0.9763993759   3.1016043728   0.3026995609
H    2.0964842951  -1.6004724422  -1.5572818752
H    2.9153097623  -0.3291575188   2.4571249795
H   -2.0996717640  -3.8645888998  -0.0874672151
H   -1.6513417701   4.4267451669  -0.6461297698
H   -0.6320608378   4.1630626151  -2.8442105101
H    0.8194373760   3.3143528143  -2.0895513864
*