! 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  -0.4549519664   1.0535381547  -2.3318789246
Cl   3.6818764314   2.5899695029   0.6522425191
O   -2.4306719816  -0.0336093450  -0.3617007214
O   -1.6980833519  -1.2557080151   1.3438473663
N    0.1283525099  -2.6236074859  -0.5516339217
N    1.2519152644  -2.3267719101  -1.2078267838
N    1.6655127913  -3.7981264435   0.4274540820
C   -1.3296158857  -0.7536801140   0.0941401415
C   -3.1195105400   0.5033230746   0.7669917207
C   -2.5377304254  -0.2871260816   1.9493040476
C   -1.1060304822  -1.9435864550  -0.8460579145
C   -0.0781438266   0.1175825204   0.2107988141
C   -2.9365301395   2.0029220840   0.9063430081
C   -3.4600135356   2.7968909071  -0.2781857512
C    0.3747117876   0.9431390820  -0.8159244071
C    0.6914935683   0.0665695077   1.3683811654
C    1.5248916520   1.7061662410  -0.6895269012
C    1.8448036250   0.8168743628   1.5244360781
C    0.3895244596  -3.4982901618   0.4236078416
C    2.2491157006   1.6376714225   0.4879960730
C    2.1446748517  -3.0543189223  -0.5897610994
H   -4.1807775902   0.2781207576   0.6263466100
H   -1.9714779524   0.3601510655   2.6287906283
H   -3.2999310798  -0.8059092830   2.5303726535
H   -1.0671710140  -1.6175358066  -1.8822019806
H   -1.9384381876  -2.6403202834  -0.7439299364
H   -3.4650508298   2.3068631230   1.8156962641
H   -1.8804183481   2.2328219550   1.0778520548
H   -3.3475493933   3.8683825217  -0.1043456915
H   -2.9193230190   2.5555178827  -1.1942241423
H   -4.5206029269   2.6030376846  -0.4540280492
H    0.3905156437  -0.5793928306   2.1812073190
H    1.8512731545   2.3403954637  -1.5020948871
H    2.4141776305   0.7535780706   2.4413927723
H   -0.3673957688  -3.8860547076   1.0868246387
H    3.1823125629  -3.0533784080  -0.8853548534
*