! 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  -4.4646526093   1.2368817482  -2.6075542627
O    1.6060695695   1.4111940127  -0.6515831117
O    2.0749175639  -1.2739085916   2.4477939408
N    1.7015468142  -0.6221865384   0.3065606186
N    1.8944995083  -2.8947607758   0.8703319870
N    1.3425926831  -5.0233472877   0.9175360474
C    1.7859555330   0.8370827626   0.6185420471
C    1.1634947284  -0.8271102029  -1.0679727280
C    0.6932961129   0.6042319872  -1.3477084490
C    0.6488293691   1.2535286670   1.5640921569
C    3.1559058404   1.2552426872   1.1152614685
C    2.2500202387  -1.2101200794  -2.0671147957
C   -0.0203986685  -1.7786143436  -1.1534592714
C    0.4399404360   2.7657897605   1.6599303212
C    1.8956680295  -1.5219780666   1.2736178336
C   -1.0211431620   3.1266640230   1.9608280618
C   -1.9386247090   2.6926317563   0.8513838599
C    2.8687300904  -3.5616030550   0.1695833091
C    1.0154743912  -3.8289102464   1.3182384032
C   -1.9080614655   3.3391754979  -0.3833453012
C   -2.7826698091   1.5948016192   0.9915207433
C    2.5006746138  -4.8717477115   0.2064810588
C   -2.6825091882   2.9048535847  -1.4472840816
C   -3.5631962779   1.1399408684  -0.0629793250
C   -3.5020212842   1.7991925143  -1.2783434801
H    0.7346165901   0.8521324144  -2.4084451110
H   -0.3383244407   0.7615926929  -1.0042251582
H    0.8346680710   0.8457994302   2.5567151765
H   -0.2710106664   0.7765731712   1.2162841495
H    3.2234623384   2.3441264914   1.1314400954
H    3.9418115913   0.8810907758   0.4579431967
H    3.3473348716   0.8993211307   2.1244893162
H    2.6160216941  -2.2223393878  -1.9118184004
H    3.0981972200  -0.5261175587  -2.0249807718
H    1.8406222121  -1.1738946338  -3.0778649914
H    0.2680142748  -2.8282245771  -1.1464039994
H   -0.7442943521  -1.6048996393  -0.3560233764
H   -0.5349910233  -1.6033586230  -2.1006776259
H    1.0743666071   3.1871077493   2.4431882164
H    0.7313975281   3.2597058211   0.7307919909
H   -1.0952581305   4.2076456620   2.1035396240
H   -1.3315318224   2.6656628743   2.9018759521
H    3.7310496664  -3.0656319087  -0.2413150457
H    0.1523470863  -3.5636677869   1.9090218230
H   -1.2648707748   4.1996549103  -0.5261701322
H   -2.8336493310   1.0716802637   1.9391055128
H    3.0186442968  -5.7105902584  -0.2317759437
H   -2.6420364339   3.4225911497  -2.3963467103
H   -4.2061721330   0.2800825551   0.0693296252
*