! 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  -0.1299118115   0.5864463924  -2.4904934722
Cl  -1.6746921634   5.0044103339   0.0173538253
O   -0.0941777356  -1.1172170121   1.7905910773
N   -0.8486765814  -3.1060814071   0.0048852824
N   -0.0047682953  -3.9041390012  -0.6552497827
N   -1.0062709699  -5.0265764260   1.0027018085
C    0.0141611754  -0.8127329051   0.4182080991
C    1.4597872705  -1.0410929529  -0.0491291552
C   -1.0047175902  -1.7123188306  -0.3276970650
C    2.4828437738  -0.1107109797   0.5951086749
C   -0.4105126413   0.6493406004   0.2562421597
C    3.9060637758  -0.4435757525   0.1638489607
C   -0.5043301377   1.3281894609  -0.9616225239
C   -0.7235979975   1.3929918676   1.3947281309
C    4.9472184497   0.4411025016   0.8325854957
C   -0.8933578246   2.6581973492  -1.0437840122
C   -1.1089358897   2.7212475853   1.3439896507
C   -1.4353720639  -3.7875054763   0.9922819161
C   -1.1941215339   3.3476218877   0.1155113411
C   -0.1315020330  -5.0423885293  -0.0215045772
H    1.5221232598  -0.9560689352  -1.1339661119
H    1.7281725597  -2.0799315817   0.1724378412
H   -0.9253823949  -1.6216181805  -1.4068305305
H   -2.0149689577  -1.4183081581  -0.0434178660
H    2.2626982818   0.9284466247   0.3318919244
H    2.4146974692  -0.1704893419   1.6858532899
H    3.9874812004  -0.3461660713  -0.9231923258
H    4.1199505609  -1.4923166112   0.3914790972
H    0.5502119600  -1.7962746809   2.0149248131
H   -0.6595226169   0.9244948306   2.3643560878
H    4.9223862776   0.3327217236   1.9188771813
H    5.9558777459   0.1887336978   0.5020829620
H    4.7825787171   1.4959565534   0.6040414214
H   -0.9552690036   3.1458608196  -2.0068161060
H   -1.3364461586   3.2519871862   2.2582244545
H   -2.1643375609  -3.3489205329   1.6553398726
H    0.4219501386  -5.9214408924  -0.3144160556
*