! 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   1.0069948075  -0.7167857033  -2.5362166890
Cl  -7.0173321568   0.4501916911  -1.1746543031
O    4.0501019956  -0.1187472136   0.7401014612
O    3.7039574529  -0.8891253829  -1.3240677620
O   -2.0787707399  -1.3264880092   1.4232156071
N    2.5733904677   2.3047451566   0.0164545007
N    1.2874658382   2.6430012269  -0.1033028793
N    2.1648219903   3.5454549625   1.7476902139
C    3.1733160617  -0.0469208758  -0.3510315850
C    4.8091832966  -1.3290373948   0.6543400887
C    3.1910517782   1.3841186990  -0.9020851124
C    4.2701166270  -1.9764552331  -0.6204105535
C    1.7657031180  -0.4542127459   0.0796982022
C    4.6518296112  -2.1823385952   1.8905548223
C    0.7417640257  -0.7336924725  -0.8227685296
C    1.4328379373  -0.4704078628   1.4308072704
C   -0.5466252437  -1.0291408287  -0.4082925359
C    0.1512768789  -0.7427869869   1.8739335311
C   -0.8394470435  -1.0195387730   0.9475013621
C    3.0824707417   2.8436780440   1.1285097286
C    1.0875688769   3.3887008225   0.9516559288
C   -3.1964057304  -0.8835045777   0.7731299459
C   -3.2787037205   0.3869780255   0.2171144862
C   -4.2881540856  -1.7383096222   0.7403798611
C   -4.4572236212   0.7953643313  -0.3865417479
C   -5.4706956251  -1.3252144276   0.1480314957
C   -5.5451427415  -0.0628995652  -0.4186819633
H    5.8609182309  -1.0532033428   0.5298301007
H    2.6510772041   1.4426652638  -1.8444980586
H    4.2222958420   1.6881135431  -1.0837612769
H    5.0466906449  -2.4296179290  -1.2351212810
H    3.5148808904  -2.7402161040  -0.3961555615
H    5.2533994729  -3.0873947198   1.7898225229
H    3.6149476623  -2.4851607339   2.0443161377
H    4.9956166296  -1.6591324189   2.7832394587
H    2.1921720981  -0.2462708267   2.1660636502
H   -1.3075688123  -1.2615276849  -1.1418535763
H   -0.0763099596  -0.7380566025   2.9318138667
H    4.1071976821   2.7072810755   1.4359222332
H    0.1296062059   3.8414286979   1.1557851517
H   -2.4382162810   1.0686674461   0.2493076607
H   -4.2187195433  -2.7243426251   1.1814280083
H   -4.5204156497   1.7835579251  -0.8214861000
H   -6.3215236419  -1.9923542504   0.1252055472
*