! 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    0.9200509894   2.3795623295  -0.8000287587
N   -1.1057847953   1.5397095259  -0.2687642579
N   -1.4756839922  -0.7004952166   0.2315995584
N   -3.2155442660   0.8065525301   0.2934966659
C    2.2113602178  -0.1875344622  -0.5107983150
C    3.0305548106   0.1358395676   0.7415849492
C    0.7432390994   0.0567635481  -0.3250043469
C    4.5287950665  -0.0999373517   0.5776510593
C   -0.1531094754  -0.9174480573   0.0391543167
C    0.2567635204   1.3938818688  -0.4900916964
C   -1.9241113427   0.5178736298   0.0820402113
C    4.9049371454  -1.5587593274   0.3589173895
C    0.2856377644  -2.3352914956   0.2477764422
C   -4.2246638802  -0.1967951232   0.5608851489
C   -4.8328951232  -0.7916629160  -0.6977536299
H    2.3782847646  -1.2245245121  -0.8072977072
H    2.5813183825   0.4218904633  -1.3403933912
H    2.8602043038   1.1817447880   1.0105942635
H    2.6595321949  -0.4591930194   1.5833133807
H    4.9032315632   0.5045368564  -0.2547902603
H    5.0411732680   0.2688234749   1.4705554165
H   -1.4784228928   2.4757956385  -0.3706818216
H    4.5015690140  -1.9554527809  -0.5741707307
H    4.5342878218  -2.1891663274   1.1705955409
H    5.9880364143  -1.6850235061   0.3168620205
H   -0.5339181337  -2.9333168804   0.6409354322
H    1.1223350281  -2.4025260480   0.9445741315
H    0.6140095122  -2.7909382334  -0.6887957861
H   -3.5394790588   1.7348317479   0.0741888793
H   -3.7820708834  -0.9789326860   1.1748111621
H   -4.9990233237   0.2791631736   1.1622299663
H   -5.6063494778  -1.5151793787  -0.4362086322
H   -5.2950208257  -0.0213425315  -1.3170401947
H   -4.0820279191  -1.3072906568  -1.2971360806
*