! 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   -0.4195272391  -0.0096624939  -0.6475219736
O   -1.4388706998  -0.9480812876   1.1379906050
O    6.1617440476   1.6908328333   0.0672725970
O    6.0728153877  -0.5488162462   0.2189399501
N   -2.5827086777   0.2724294922  -0.4288056027
N    4.1899392337   0.7318283641  -0.0457215455
C   -3.9133625110   0.1935318586  -0.0044687648
C   -6.1883240323   0.9373287721  -0.4301414090
C   -4.8352522037   0.9509442480  -0.7320977628
C    3.1669135901  -0.2132304924  -0.0963988007
C    0.8025165204  -0.5781397651  -0.3675534881
C   -4.3594161333  -0.5906702116   1.0552372938
C   -6.6262225959   0.1459143475   0.6314098968
C    1.8751012784   0.2866291136  -0.2782179043
C   -5.7156357471  -0.6011534736   1.3566445487
C   -7.1609821241   1.7597733884  -1.2213474570
C    3.3513349672  -1.5905178991   0.0177940997
C    0.9682440320  -1.9508722926  -0.2696711608
C    2.2512513702  -2.4313422792  -0.0705438080
C   -1.4916428696  -0.2954794920   0.1271285609
C    5.5247429465   0.5217360952   0.0916771440
C    7.5792308681   1.6531822016   0.2037346836
H   -4.4838246280   1.5610791141  -1.5576587652
H   -3.6820681368  -1.1902224762   1.6410373445
H   -7.6786804114   0.1153751187   0.8864004624
H    1.7069657977   1.3536250169  -0.3674866940
H   -6.0599577139  -1.2152532378   2.1790267349
H   -2.4251926615   0.8093434683  -1.2695402112
H    4.3293530136  -2.0168853142   0.1653668379
H    0.1340305691  -2.6320191593  -0.3602146979
H   -6.6823096121   2.2545132100  -2.0658005647
H   -7.9731807069   1.1457021062  -1.6134032892
H   -7.6176836239   2.5337570289  -0.6017591268
H    2.4062410275  -3.4990268264   0.0113584354
H    3.9006825407   1.6953694987  -0.1328356682
H    7.9090703692   2.6867442620   0.1408582595
H    8.0472884266   1.0810490049  -0.5974318194
H    7.8807890508   1.2406554252   1.1666832397
*