! 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   1.7758128906   2.3237547712   0.8461755129
Cl   5.4603290305  -1.3407589235  -0.3379083309
O   -1.1774623745  -0.9292504482  -0.1791281601
O   -0.6839572749   0.7652149214   1.2123936869
N   -2.0611126690   1.6743675741  -1.0377639160
N   -3.1278968326   1.0189593238  -1.5013863454
N   -3.7612552179   2.8431473267  -0.3668595089
C   -0.3776699842   0.1988579241  -0.0334242721
C   -1.6865430791  -1.3107498256   1.0946880047
C   -1.7306316488   0.0238524163   1.8162148223
C   -3.0287292123  -1.9866434369   0.9321856927
C   -0.7243502718   1.1645534037  -1.1791935270
C    1.1041574604  -0.1594795809  -0.0878033729
C   -2.9616466632  -3.3304173925   0.2170738052
C    2.1190067879   0.7211528922   0.2844979309
C    1.4884080515  -1.4117971661  -0.5561070191
C   -4.3333558318  -3.9697870466   0.0665032276
C    3.4577474367   0.3672840341   0.2117975681
C    2.8173650242  -1.7923140897  -0.6383657340
C   -2.4538043590   2.7543462308  -0.3557301624
C    3.7938721185  -0.8939740788  -0.2481661695
C   -4.1225644356   1.7571348625  -1.0805060265
H   -0.9781980391  -1.9886136182   1.5907854772
H   -2.6952303298   0.5278148110   1.6822434933
H   -1.5357885571  -0.0657676702   2.8852830243
H   -3.7020060361  -1.3086014279   0.3981570162
H   -3.4532923608  -2.1271039867   1.9316180320
H   -0.6397233840   0.6502087146  -2.1358010907
H   -0.0376732341   2.0090036418  -1.2007330100
H   -2.3006827947  -4.0042906799   0.7709076503
H   -2.5121796635  -3.2025084138  -0.7712166246
H    0.7310042129  -2.1182973902  -0.8651846696
H   -5.0042681547  -3.3362137062  -0.5175505297
H   -4.2706127688  -4.9337964705  -0.4401170685
H   -4.8044579099  -4.1390488823   1.0371617849
H    4.2240574726   1.0686481063   0.5119501380
H    3.0788815439  -2.7763232219  -1.0018907163
H   -1.7623685743   3.4382801520   0.1112850009
H   -5.1491336347   1.5061221377  -1.2987387995
*