! 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   1.1444222208   0.3449043263  -2.2319784408
Cl   4.1508325033  -3.6565762828  -0.4073778970
O   -1.2771489867   0.3066150761  -0.5255978443
O   -1.1010138782  -0.1481344277   1.6558215723
N   -0.8056485104   2.6407191815   0.9122798066
N   -1.4771124909   2.8317720741   2.0487648500
N   -2.2847570311   4.1504336217   0.4288688242
C   -0.3729761555   0.2509432542   0.5258384130
C   -2.2494437402  -0.7011816667  -0.2748657683
C   -2.3694630608  -0.6342482690   1.2418335823
C    0.2178944928   1.6414364146   0.7855120250
C    0.7586353267  -0.7413141728   0.2529682782
C   -3.5109502301  -0.4488970056  -1.0753222303
C   -4.1973120770   0.8874322539  -0.8360732603
C    1.4845799140  -0.7560111047  -0.9379772234
C    1.1239850361  -1.6618111065   1.2305078078
C    2.5252545304  -1.6478942860  -1.1496345737
C    2.1571090417  -2.5647886817   1.0456164732
C   -1.3019815716   3.4260431211  -0.0465362985
C    2.8518588552  -2.5474454626  -0.1501914904
C   -2.3497659889   3.7464021945   1.7135253925
H   -1.8446507857  -1.6802233437  -0.5661124314
H   -3.1475844673   0.0576894580   1.5756487977
H   -2.5610970251  -1.6127061825   1.6852194399
H    0.8811571749   1.9384639160  -0.0246223286
H    0.8110833442   1.6182129676   1.6987761687
H   -4.1999860534  -1.2673661345  -0.8500159649
H   -3.2664806831  -0.5516762536  -2.1355765537
H   -4.5673867397   0.9906346372   0.1846325878
H   -3.5364722975   1.7303254417  -1.0356679568
H   -5.0591334647   0.9861738105  -1.4971101202
H    0.5876080699  -1.6788182033   2.1683611829
H    3.0713754649  -1.6368992873  -2.0826917365
H    2.4109906185  -3.2678790143   1.8266550329
H   -0.9155679495   3.4394957709  -1.0536618877
H   -3.0585605833   4.1438534582   2.4234947275
*