! 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   0.7215037077  -1.3082470530   2.5394847044
Cl   4.1852843275  -1.5427170348  -1.5025641911
O   -2.1031059366   0.4007730911  -0.5311719875
O   -1.9275887332  -0.8757580092   1.2909021022
N   -0.2840529854   2.3441610634   0.7604076383
N    1.0145604362   2.4422148547   1.0534549142
N    0.4835208839   3.8283768791  -0.6220541179
C   -1.2657276691   0.0993507000   0.5388499007
C   -2.7968703339  -0.7949159265  -0.8734916918
C   -2.9196863970  -1.4906823407   0.4821161731
C   -1.1184379073   1.3600850553   1.4003702116
C    0.0961154097  -0.3853781850   0.0421453792
C   -4.1114070549  -0.4539374475  -1.5401113216
C   -4.8926922453  -1.7028919289  -1.9208901004
C    1.0390772088  -0.9951132253   0.8661572466
C    0.4716211404  -0.1361641246  -1.2742916052
C    2.2927713214  -1.3606419516   0.3999059726
C    1.7169328959  -0.4857249608  -1.7673271626
C   -0.5854498131   3.1689146564  -0.2469574472
C    2.6198422876  -1.0997208184  -0.9188886036
C    1.4325469883   3.3442836959   0.2045086761
H   -2.1836448944  -1.3982328369  -1.5559306203
H   -3.9014877673  -1.3311049563   0.9394811856
H   -2.7404878458  -2.5652655314   0.4147812037
H   -0.6684759613   1.1187253292   2.3600482536
H   -2.1057148887   1.7834062810   1.5878312372
H   -3.9134677110   0.1392033928  -2.4362967946
H   -4.7062052090   0.1701809352  -0.8669175480
H   -5.1583143656  -2.3040941191  -1.0489737384
H   -5.8236086111  -1.4364770944  -2.4215213913
H   -4.3262733954  -2.3402664038  -2.6023990120
H   -0.2226976160   0.3520375261  -1.9437569189
H    3.0041635398  -1.8348905642   1.0617445117
H    1.9723879394  -0.2748976489  -2.7964765334
H   -1.5777964511   3.2581485783  -0.6603069731
H    2.4606267729   3.6715491536   0.1831800178
*