! 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   1.6873223017  -0.5502696507   2.3233449191
Cl   3.8513271916  -3.5799860118  -1.4901860217
O   -1.3782172556   0.4718404238  -0.8327524249
O   -1.0399421655  -0.0112745396   1.3344947982
N   -0.7965595428   2.7753043954   0.5908316158
N   -1.2057529387   3.0181356596   1.8380428724
N   -2.4241323931   4.1922012784   0.3703695222
C   -0.4013401008   0.3925717530   0.1549019770
C   -2.4992286405  -0.3097037506  -0.4306764165
C   -2.4212473878  -0.1944298382   1.0812538603
C    0.2120000749   1.7938980972   0.2977717670
C    0.6835299262  -0.6142762519  -0.2210342143
C   -3.7647244164   0.2386831182  -1.0492819824
C   -3.7828636647   0.1530950633  -2.5673751473
C    1.6399940640  -1.0850428323   0.6773558138
C    0.7568199832  -1.0805804145  -1.5300416846
C    2.6152170989  -1.9951215778   0.2966233369
C    1.7176859797  -1.9904492150  -1.9369917473
C   -1.5372068588   3.4740517957  -0.2738409023
C    2.6409415762  -2.4436835345  -1.0121100369
C   -2.1783958626   3.8740734285   1.6577886118
H   -2.3531239674  -1.3534220545  -0.7421740402
H   -2.9995140352   0.6580789802   1.4563087146
H   -2.7672978806  -1.0949465741   1.5899847731
H    0.7044650330   2.0700336424  -0.6348683728
H    0.9601500796   1.8176682151   1.0869301200
H   -3.9052680494   1.2742008529  -0.7250072432
H   -4.6031371971  -0.3307956241  -0.6385182068
H   -2.9937393867   0.7571996523  -3.0165931515
H   -3.6520273325  -0.8750791140  -2.9105688525
H   -4.7333461317   0.5117329506  -2.9636895662
H    0.0422316160  -0.7283037125  -2.2605248309
H    3.3425781095  -2.3463566467   1.0154336006
H    1.7400236242  -2.3354163288  -2.9613707068
H   -1.3873568762   3.4354326962  -1.3411723123
H   -2.7299770634   4.2917065227   2.4859332976
*