! 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   0.7184492581  -1.1879145126   2.5569148070
Cl   4.4774183495  -1.2844265701  -1.2157626370
O   -2.0383087224  -0.1030311115  -0.8492150609
O   -1.8719169585  -1.2240470519   1.0845634008
N   -0.5279242825   2.1159432636   0.5655476024
N   -0.8281919555   2.7085241965  -0.5906408751
N    1.1589228517   3.4182400278   0.1608497331
C   -1.2773430002  -0.2226408052   0.3181575843
C   -3.0294192906  -1.1297039220  -0.8897965833
C   -2.5315294561  -2.0906547430   0.1787996480
C   -1.3535868174   1.0830048423   1.1298739284
C    0.1697140521  -0.5524854696  -0.0505650119
C   -4.4127465625  -0.5648786011  -0.6114272161
C   -4.8127388708   0.5441116673  -1.5714280634
C    1.1178135646  -0.9642697217   0.8847573639
C    0.6073911615  -0.3721845632  -1.3593118925
C    2.4397871971  -1.1967625760   0.5361151312
C    1.9207394978  -0.5955536904  -1.7357499333
C    0.6629476027   2.5412721241   0.9975515999
C    2.8291827944  -1.0072475231  -0.7778249288
C    0.2075418636   3.4823398405  -0.7915255434
H   -3.0057645079  -1.5850526178  -1.8839822248
H   -3.3290871548  -2.6092507914   0.7104992916
H   -1.8430153711  -2.8379776413  -0.2313768336
H   -1.0165545195   0.9126393421   2.1503594610
H   -2.3878403290   1.4242413918   1.1716285159
H   -4.4642881318  -0.2049467676   0.4212643236
H   -5.1264980154  -1.3902612785  -0.6851547661
H   -4.1392709096   1.3991043814  -1.5025475240
H   -4.8066346045   0.1970362157  -2.6070170699
H   -5.8198149096   0.9012557872  -1.3534524217
H   -0.0951078240  -0.0435561927  -2.1111365403
H    3.1529310265  -1.5157537809   1.2835461590
H    2.2245318184  -0.4451284977  -2.7623660160
H    1.1135776640   2.1968229289   1.9157010007
H    0.2813973211   4.1205901099  -1.6584184987
*