! 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   2.1343403882  -0.7383771309  -1.8014016727
Cl   0.0427736876  -5.3047036699  -0.0240983574
O   -0.9354397879   1.2242380366   0.8695579114
O    0.1464290660   1.2805416324  -1.0984748760
N    1.5788297520   2.6279216935   0.9098801293
N    1.0250408104   3.4252518346   1.8256882122
N    2.0175587204   4.6393397213   0.2271969761
C    0.1815808146   0.7373518231   0.1910257552
C   -1.8623070288   1.7685367073  -0.0675884150
C   -0.9351951708   2.1926337065  -1.1958162849
C   -2.9301918419   0.7722704872  -0.4899024476
C    1.4351020050   1.1981557368   0.9518931722
C    0.1765682048  -0.7872698998   0.1133778382
C   -3.8546024649   0.3369054011   0.6402353393
C    0.9975003049  -1.5133430758  -0.7484871062
C   -0.6565026478  -1.5138998073   0.9576059303
C   -4.8120927147  -0.7619470402   0.2071259358
C    0.9629344778  -2.8992339832  -0.7969560326
C   -0.7129612091  -2.8967461802   0.9304959139
C    2.1617846274   3.3643533635  -0.0399455842
C    0.0971210287  -3.5791935271   0.0410063065
C    1.3159517189   4.6193242766   1.3783771171
H   -2.3299004256   2.6327574141   0.4104459812
H   -1.3871573266   2.0985816910  -2.1841939176
H   -0.5911452513   3.2248087419  -1.0739237544
H   -2.4644564334  -0.1020094577  -0.9577989375
H   -3.5294035516   1.2485108251  -1.2723503220
H    2.3299150609   0.7508324157   0.5227509147
H    1.3778270700   0.8813714760   1.9924124162
H   -4.4211646036   1.2027636685   0.9950302939
H   -3.2734538015  -0.0129346348   1.4965698293
H   -1.2865799467  -0.9901930365   1.6615223140
H   -5.4981610516  -1.0338824030   1.0105485053
H   -5.4160001382  -0.4550772625  -0.6492655095
H   -4.2707259053  -1.6654130120  -0.0811341263
H    1.6050624667  -3.4362858708  -1.4812317041
H   -1.3813421461  -3.4254880421   1.5956506808
H    2.6759600003   2.9342787036  -0.8848892959
H    1.0165580170   5.5126454084   1.9042566020
*