! 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   1.7669968019   2.3784113115   0.9429613325
Cl   5.4838122456  -1.1264560030  -0.5647124814
O   -1.1371822412  -0.9409395395  -0.0173957084
O   -0.6890570073   0.7843063620   1.3095089310
N   -2.2170643757   1.4063053260  -1.0635237403
N   -2.8029661572   2.2791209170  -0.2419299327
N   -4.3388319929   1.1866990437  -1.4528220069
C   -0.3803319211   0.2279594669   0.0762723509
C   -1.4497171259  -1.4083039628   1.2975940952
C   -0.8720904165  -0.3028798983   2.1927245478
C   -2.9441084799  -1.6162940914   1.4720978682
C   -0.7996553926   1.1738199701  -1.0524998773
C    1.1129787157  -0.0871135850  -0.0531447330
C   -3.5333597687  -2.8349545073   0.7671124047
C    2.1202806153   0.8074928623   0.3050640557
C    1.5102369385  -1.3081946174  -0.5902584860
C   -3.5623757437  -2.7805159851  -0.7530093105
C    3.4636689518   0.4949556690   0.1550167379
C    2.8426290846  -1.6456007495  -0.7547959384
C   -3.1429046173   0.7585995326  -1.7742253978
C    3.8119517380  -0.7350019978  -0.3738661612
C   -4.0722291869   2.1168901361  -0.5130276383
H   -0.9269695425  -2.3544743230   1.4762756909
H   -1.5484556830   0.0088390174   2.9886584398
H    0.0759187943  -0.6086536908   2.6490009075
H   -3.4755627485  -0.7043960313   1.1795564083
H   -3.1181919187  -1.7391838819   2.5454743170
H   -0.5198416461   0.7335859751  -2.0095065018
H   -0.2839211395   2.1288640063  -0.9675751632
H   -4.5572604410  -2.9634141725   1.1283451251
H   -2.9913163629  -3.7286273625   1.0930177059
H    0.7581736496  -2.0232675142  -0.8925754712
H   -4.1036191265  -1.9008718947  -1.1047814530
H   -2.5650738934  -2.7545863678  -1.1910247352
H   -4.0716296042  -3.6579531549  -1.1558293300
H    4.2240672998   1.2061821311   0.4465194413
H    3.1128467263  -2.6050593271  -1.1732398956
H   -2.8986590759   0.0033783213  -2.5044176845
H   -4.8378038038   2.6936118202  -0.0173323390
*