! 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   2.0636328837  -0.5500760176  -2.6910394400
Cl  -7.4138051687  -2.0835160817   1.6229942731
O    2.4054685458   0.9344139414   1.5644893593
O    3.3074923263  -0.3390421061  -0.0513185538
O   -2.8077631837  -0.5955063010  -1.6723973968
N    4.1725473077   2.4082892029  -0.0656942071
N    5.2721529464   2.0021914260  -0.7045754906
N    5.8167415752   3.2034486660   1.1053780840
C    2.4089044754   0.7063736953   0.1849851411
C    3.0395390636  -0.1573516277   2.2278072026
C    2.8577413878   2.0109958522  -0.4927767555
C    3.9916470475  -0.6479796453   1.1497178426
C    1.0197639041   0.3332155851  -0.3202656878
C    2.0498855515  -1.2049587328   2.6968585685
C    0.7797408307  -0.2325499862  -1.5712852315
C   -0.0937785522   0.6040125109   0.4696080878
C   -0.4982156617  -0.5618046245  -1.9925815704
C   -1.3839174892   0.3062123217   0.0662678281
C   -1.5807239400  -0.2947169701  -1.1684546355
C    4.5120215005   3.1171831234   1.0146956365
C    6.2316320348   2.5026447520   0.0305839777
C   -3.8440190453  -0.9330504014  -0.8468935586
C   -5.0902915838  -0.4060539601  -1.1499729305
C   -3.6919810374  -1.8200993669   0.2108873994
C   -6.1950448718  -0.7660665356  -0.3946542857
C   -4.7936207924  -2.1687071897   0.9756600259
C   -6.0378373230  -1.6402067316   0.6686313089
H    3.5772088537   0.2561312978   3.0828161308
H    2.1533328545   2.8057019761  -0.2465991356
H    2.8703909162   1.9040663138  -1.5753276397
H    4.9616977326  -0.1424071880   1.1962407476
H    4.1676046041  -1.7240202445   1.1886308801
H    2.5731239572  -1.9674584455   3.2758416775
H    1.5482963904  -1.7043422196   1.8661582887
H    1.2892708020  -0.7662053451   3.3434592729
H    0.0425197307   1.0711841487   1.4344042938
H   -0.6579712572  -1.0161931281  -2.9615467803
H   -2.2138073640   0.5514013053   0.7154866407
H    3.7874946464   3.5523122857   1.6845473739
H    7.2718550447   2.3664073419  -0.2220221503
H   -5.2023529872   0.2793945388  -1.9800417251
H   -2.7274213490  -2.2508493103   0.4471590049
H   -7.1665422731  -0.3567138878  -0.6357693965
H   -4.6750551821  -2.8580331710   1.8004330019
*