! 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   0.8137689314  -1.1682333755  -2.0945965376
Cl   5.6178780300  -0.5893682075   0.1336747587
O   -1.1008061309  -0.5947199265   0.0381149647
O   -0.6904769003   0.9372573539   1.5967968864
N   -2.0584972369   1.9695637134  -0.6509549310
N   -2.5548521513   2.9004495024   0.1664531633
N   -4.2022988558   1.8948456385  -0.9679823091
C   -0.3245858501   0.5244804380   0.3186884539
C   -1.4964984129  -1.2171583593   1.2571161943
C   -1.0158289010  -0.2301366669   2.3295691781
C   -2.9973618135  -1.4381381184   1.2548409154
C   -0.6585268986   1.6477261180  -0.6679512515
C    1.1701008023   0.2093508516   0.2453076690
C   -3.5061043559  -2.3283514849   0.1253223660
C    1.7490229429  -0.5337631915  -0.7825914624
C    2.0222950510   0.7153557700   1.2227146682
C   -3.0077094866  -3.7650446727   0.1997141394
C    3.1129894049  -0.7843487870  -0.8231580453
C    3.3862523307   0.4803100450   1.2073457071
C   -3.0517127373   1.3728510047  -1.3152840949
C    3.9197978118  -0.2765221623   0.1795574473
C   -3.8401181914   2.8253705988  -0.0616368973
H   -0.9701662356  -2.1712021226   1.3608521541
H   -1.7876111100   0.0239848244   3.0570451393
H   -0.1459203763  -0.6145763394   2.8714662771
H   -3.4967537135  -0.4646254124   1.2150771456
H   -3.2687717079  -1.8839433229   2.2174006162
H   -0.3757441475   1.3565039433  -1.6783915487
H   -0.0941249668   2.5440279197  -0.4154604532
H   -3.2341228537  -1.8942489784  -0.8398669613
H   -4.5984527617  -2.3282818030   0.1565744929
H    1.6131901637   1.3137803025   2.0250433937
H   -3.2607914937  -4.2244522915   1.1576700157
H   -3.4579558887  -4.3759984475  -0.5839700542
H   -1.9257660342  -3.8362276556   0.0764894537
H    3.5359025686  -1.3677872079  -1.6292931376
H    4.0166980509   0.8842890747   1.9871838013
H   -2.8896916573   0.5856264827  -2.0341504128
H   -4.5464639895   3.4661704131   0.4432133755
*