! 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   4.9622159047   3.6651828890  -0.0681757364
O   -2.0665726498  -0.9777045748   1.5188708035
N   -1.4411593048  -2.7697616273  -0.4341305466
N   -0.4570583803  -3.1421944906  -1.2575780509
N   -0.6014271747  -4.5592745429   0.4654722387
C   -2.1630695197  -0.4314278151   0.2201137579
C   -3.4697818720   0.4450057657   0.1042352426
C   -0.9077451432   0.4080399329  -0.0832720476
C   -2.2939223838  -1.6392630232  -0.7354174875
C   -3.3782980386   1.6745525420   1.0186226369
C   -3.7008435033   0.9343026694  -1.3289622320
C   -4.7053252030  -0.3529558892   0.5465936272
C    0.4400028894  -0.3145126389   0.0248242686
C    1.5769176288   0.6684057533   0.0007206146
C   -1.5215042768  -3.6314229747   0.5830225604
C    2.1738504879   1.0467776066  -1.1987630555
C    2.0444246073   1.2494103816   1.1770161841
C    0.0227510518  -4.2116414468  -0.6760067588
C    3.2103390946   1.9684725872  -1.2314760780
C    3.0800175231   2.1714033422   1.1669735632
C    3.6573519294   2.5227889726  -0.0430097169
H   -0.8844382159   1.2514819648   0.6121315101
H   -0.9887135296   0.8487419571  -1.0792833566
H   -3.3173169037  -2.0089528783  -0.7384407720
H   -2.0615741483  -1.3414783510  -1.7547645869
H   -2.6035448437   2.3784405158   0.7151981594
H   -3.2046666255   1.4120060643   2.0651031671
H   -4.3230454995   2.2203429361   0.9921639254
H   -3.8174815972   0.1159939755  -2.0417424708
H   -2.8969987137   1.5776780010  -1.6891229398
H   -4.6201883524   1.5221022693  -1.3758261556
H   -4.5720094652  -0.8151736410   1.5247957781
H   -5.5662107239   0.3139115163   0.6173145208
H   -4.9864845341  -1.1378136196  -0.1573241776
H    0.5643363655  -1.0191696381  -0.7963470499
H    0.4829208877  -0.8928837502   0.9499021773
H   -1.8686045509  -0.2721441370   2.1435595361
H   -2.2548591813  -3.5561017546   1.3687531776
H    1.8332383527   0.6117665571  -2.1310188485
H    1.6012814432   0.9738375371   2.1268964047
H    0.8498572963  -4.7644232438  -1.0937342886
H    3.6651383927   2.2439362880  -2.1736515755
H    3.4338932783   2.6039102483   2.0933048310
*