! 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  -5.5680087766   1.3929781094  -1.7111889267
O    1.4975147552   1.4835476543  -0.3002278433
O    2.2843192753  -1.6485028766   2.2847036016
N    1.8588441450  -0.6691783440   0.2791801115
N    2.1515122325  -2.9883438958   0.4593834312
N    1.4413741603  -4.8965845970  -0.3746708297
C    1.6268180429   0.6928206986   0.8554124883
C    1.9995591253  -0.5886286213  -1.1988482107
C    2.2878187904   0.9079603971  -1.3076167755
C    0.3099546694   0.7187875594   1.6307100297
C    2.8172431242   1.1841189448   1.6775596618
C    3.1657332320  -1.3756446582  -1.7787312526
C    0.6980813307  -0.9169103002  -1.9244498633
C   -0.1062943768   2.0621388230   2.2281003299
C    2.1109076082  -1.7051458696   1.0854228494
C   -0.6164073907   3.1315548176   1.2546891845
C   -1.8457624129   2.7069454428   0.5004128942
C    3.2187584452  -3.8505869863   0.5031110719
C    1.1020162508  -3.6807784945  -0.0588158088
C   -1.7786074743   2.2626873690  -0.8175633012
C   -3.0951896814   2.7298224900   1.1178496013
C    2.7632421556  -5.0118547798  -0.0391946010
C   -2.9142599671   1.8570307729  -1.5045640768
C   -4.2421340210   2.3285860754   0.4501368075
C   -4.1402141128   1.8926634169  -0.8617363197
H    3.3561487108   1.1160649860  -1.1607961975
H    1.9926651501   1.3209944703  -2.2722399818
H    0.3997086879   0.0110190810   2.4557048611
H   -0.4809301789   0.3339844809   0.9804729883
H    2.8545913479   0.7332142778   2.6647689112
H    2.7431648404   2.2640796230   1.8066324940
H    3.7656056368   0.9785519093   1.1794934969
H    3.3843392709  -0.9809895043  -2.7729340413
H    2.9533775257  -2.4353697894  -1.9038226765
H    4.0709156075  -1.2670153081  -1.1800376407
H    0.4459968468  -1.9732197845  -1.8637931377
H   -0.1435106152  -0.3456428093  -1.5311303036
H    0.7991408231  -0.6768107740  -2.9839222073
H   -0.9004052048   1.8568627703   2.9514928664
H    0.7134563783   2.4851901136   2.8141430709
H    0.1670920718   3.4219496147   0.5557437196
H   -0.8504842973   4.0245087248   1.8403081775
H    4.1840567533  -3.5559976426   0.8787919509
H    0.1149323111  -3.2543748110  -0.1394727188
H   -0.8234027966   2.2345107234  -1.3251686226
H   -3.1845490130   3.0779874994   2.1404002858
H    3.3162698263  -5.9227928925  -0.2063587716
H   -2.8382938988   1.5207129846  -2.5300666473
H   -5.2021884284   2.3615334886   0.9476239884
*