! 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
O   -3.6030609140  -1.2833566036  -1.3877435968
O   -1.0483484309  -1.0625382894  -0.4656346450
N   -2.1111621985   1.0027567364  -0.2749044543
N   -2.0712824762   2.0345653339   0.5747042768
N   -2.2598719402   2.7622342051  -1.5316758843
C   -4.6062213589  -0.6664634843   0.7048256542
C   -3.3364845767  -1.1684757280  -0.0147943503
C   -2.0511170476  -0.3590482390   0.2152702779
C   -4.3024139464  -0.4063561425   2.1814213694
C   -5.2111951156   0.5934549349   0.0802158790
C   -5.6430022540  -1.7927729188   0.6140696294
C    0.2661766490  -0.7890585497  -0.2544570133
C   -2.2229078147   1.4517512317  -1.5306510331
C    0.7519935858   0.1543469538   0.6423441470
C    1.1592641795  -1.5414158428  -1.0128059498
C   -2.1682232632   3.0676034512  -0.2214953303
C    3.0342092616  -0.4087886339   0.0204422311
C    2.1236030413   0.3313549962   0.7692655461
C    2.5199822911  -1.3520110977  -0.8730879523
C    4.4895165854  -0.2019688434   0.1561535284
C    5.0643422577   0.0726540553   1.3986487902
C    5.3275328396  -0.2745526523  -0.9585699207
C    6.4314935143   0.2708762074   1.5216657849
C    6.6949341787  -0.0798164967  -0.8352373576
C    7.2535235911   0.1949697399   0.4055470163
H   -3.1089775081  -2.1522670690   0.4226201070
H   -1.8400651709  -0.2911482517   1.2850347583
H   -3.8216463106  -1.2644719717   2.6581987811
H   -3.6622221235   0.4647792332   2.3316090890
H   -5.2289619013  -0.2134962927   2.7252812494
H   -6.1718153565   0.8049461435   0.5557936423
H   -5.4017832855   0.4777347403  -0.9867653985
H   -4.5963517305   1.4814765766   0.2241309086
H   -5.2747113977  -2.7161541261   1.0685275948
H   -5.9168727728  -2.0157431829  -0.4176481093
H   -6.5567599199  -1.5119507873   1.1414528354
H   -2.9696163226  -1.8916484405  -1.7829835157
H   -2.2648199401   0.8100377173  -2.3946885426
H    0.0985815902   0.7733167550   1.2415171788
H    0.7814180625  -2.2839593771  -1.7045360816
H   -2.1665263400   4.0786130474   0.1551382090
H    2.4772292680   1.0895782967   1.4566925547
H    3.1912821584  -1.9661098445  -1.4602627210
H    4.4427598326   0.1127483132   2.2847564575
H    4.9072616737  -0.4640563488  -1.9386309316
H    6.8563252221   0.4775297146   2.4956386327
H    7.3241166679  -0.1344508105  -1.7144287486
H    8.3205946157   0.3481935096   0.5017857111
*