! 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    1.0839445616   0.7596776608  -1.2644881687
N    0.7583726352  -1.9824925992  -0.5568703752
N    0.5637687691  -2.8045162251   0.4771847467
N   -1.2370734200  -2.7845768934  -0.8513306799
C    3.4188004485   0.7906949637  -0.4204674706
C    1.9824168939   0.1807021942  -0.3613674531
C    4.0644427251   0.2226497550   0.8501666303
C    1.6470433885   0.3112821306   1.1122088564
C    2.9336593887   0.1455787563   1.8893240766
C    2.0176899234  -1.3053562484  -0.7525608737
C    3.3219879053   2.3152640013  -0.3083736592
C    4.1928124762   0.4426092710  -1.6843405714
C    0.4774470707   0.5446904039   1.7030965159
C   -0.3249133808  -1.9780883504  -1.3382544940
C   -0.6432993285  -3.2623155562   0.2595900693
H    4.8975531192   0.8409014584   1.1878948327
H    4.4795687992  -0.7688813658   0.6550636906
H    3.0241343722   0.9248978981   2.6475334862
H    2.9471219037  -0.8064616265   2.4247172176
H    2.7614560844  -1.8542867542  -0.1794139597
H    2.2860420374  -1.3947196951  -1.8056863593
H    4.3210576716   2.7439025488  -0.2126859778
H    2.8739326522   2.7684609995  -1.1956318151
H    2.7500514355   2.6456866591   0.5625659264
H    5.1592081880   0.9509051637  -1.6861742409
H    4.4002469833  -0.6245570982  -1.7748832803
H    3.6595711289   0.7601935146  -2.5830727448
H    0.9339129401   1.6801198709  -1.0301063965
H   -0.3991998890  -1.3910347311  -2.2392588517
H   -1.1118140071  -3.9706769260   0.9255761112
C   -0.8615071808   0.7259223615   1.1044544852
C   -3.4386436773   1.0380937388   0.0941030076
C   -1.8411048256  -0.2393671024   1.3261395483
C   -1.2202426420   1.8731250862   0.4001216529
C   -2.4980032775   2.0340885180  -0.1129990462
C   -3.1224453233  -0.0989740471   0.8187910127
H   -1.5988512538  -1.1233141760   1.9013556197
H   -0.5053125549   2.6765770611   0.2684120602
H   -2.7546875569   2.9305857025  -0.6611927758
H   -3.8618429532  -0.8696933693   0.9896281419
Cl  -5.0383988923   1.2266817693  -0.5487090653
H    0.4844322753   0.5725386916   2.7915524927
*