! 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   -2.2681826148  -0.8836256261  -1.0575580691
O   -0.3914747968   3.3066221856  -0.6145507813
O   -1.7100721908   1.3264752397   0.6536871172
O   -3.3132893233  -1.3796186035   0.8478118296
N   -0.0474293513  -0.1613298726   0.3792981162
C   -0.9052783580  -1.2524730295   0.8381719341
C    1.3427658930  -0.4220107725   0.1959499480
C    2.2570515116  -0.0817809027   1.1987290302
C    1.7607560131  -1.0404523553  -0.9929780768
C   -0.9559675418  -1.3896510566   2.3500159961
C   -0.5643206485   1.0878430664   0.3128613333
C   -2.3021859182  -1.1489484552   0.2355700087
C    3.6029628297  -0.3878865367   0.9959872337
C    3.1088470311  -1.3334830472  -1.1503920416
C    1.8787745676   0.6155780338   2.4736490284
C    0.7921795824  -1.3650787506  -2.0890866995
C    4.0263479361  -1.0142398470  -0.1600912451
C    0.3417616706   2.1822734255  -0.2445065386
C   -3.5139403800  -0.6924799582  -1.7213978699
C   -1.0761451309   3.1547280579  -1.8375942893
H   -0.4749258419  -2.1737719411   0.4310709236
H   -1.3848591152  -0.5104894103   2.8290009662
H   -1.5492503099  -2.2574756835   2.6345859651
H    0.0472339186  -1.5468425477   2.7441802681
H    4.3230184572  -0.1292545899   1.7633481431
H    3.4459288575  -1.8092713150  -2.0630978223
H    2.1864499019   0.0268571104   3.3391301198
H    2.3934619666   1.5750811513   2.5499770824
H    0.8146218895   0.8080123822   2.5781944784
H    0.1383828514  -2.1982567176  -1.8265915243
H    0.1479720103  -0.5203112611  -2.3310413159
H    1.3255617717  -1.6486944743  -2.9952059569
H    5.0744285462  -1.2468726945  -0.2980378563
H    1.0468315636   2.4933902959   0.5322938518
H    0.9444087834   1.7949195040  -1.0773473579
H   -4.1179037017  -1.6002737849  -1.7177677484
H   -3.2694719234  -0.4319694537  -2.7476958369
H   -4.0837349278   0.1213880571  -1.2720487385
H   -1.5934014004   4.0912207977  -2.0436413835
H   -1.8232378425   2.3543340241  -1.8146364512
H   -0.3862605437   2.9554346029  -2.6662994551
*