! 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   1.3068547137  -0.7287157715   2.3808397164
Cl   4.1128627164  -3.4869880872  -1.2090546892
O   -1.2657040330   0.4270816556  -1.1401274495
O   -1.2230749897  -0.0544498969   1.0237585354
N   -0.8579148046   2.7115208959   0.5204364721
N   -1.2720755802   3.5732189152  -0.4111946629
N   -2.3913775613   3.8911691997   1.5010724265
C   -0.4197515661   0.3486580767  -0.0402924207
C   -2.2492184943  -0.5960046077  -1.0081215493
C   -2.2274390828  -0.9039426117   0.4991393183
C    0.1607644958   1.7340394895   0.2461734903
C    0.7239851685  -0.6369760421  -0.2943243320
C   -3.5811015766  -0.1224270252  -1.5597115847
C   -4.0848870241   1.1912170436  -0.9837740625
C    1.5312055243  -1.1560967940   0.7169875102
C    1.0182493380  -1.0190156483  -1.6000414760
C    2.5730933297  -2.0305742517   0.4448029483
C    2.0483599006  -1.8934739883  -1.9007053932
C   -1.5362573207   2.9092833839   1.6538116276
C    2.8184838163  -2.3955022056  -0.8669848033
C   -2.1883378978   4.2607734648   0.2206900821
H   -1.9329768042  -1.4827196573  -1.5693440291
H   -3.1689205817  -0.6759462969   1.0015169379
H   -1.9902300402  -1.9552191849   0.6855020201
H    0.7339265458   2.0765386163  -0.6136380463
H    0.8435409929   1.6865709111   1.0932332981
H   -4.3046466245  -0.9212944086  -1.3737474412
H   -3.5028930010  -0.0406467306  -2.6469833452
H   -5.0842832180   1.4089748221  -1.3624960753
H   -4.1534091253   1.1730981021   0.1053424043
H   -3.4411966884   2.0237403770  -1.2625459085
H    0.4280486619  -0.6226086918  -2.4146299457
H    3.1829864925  -2.4179517903   1.2489946659
H    2.2422714586  -2.1725223198  -2.9269467839
H   -1.3699143160   2.3338347170   2.5503100525
H   -2.7276790451   5.0635964952  -0.2576724052
*