! 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   -3.6704989380   0.5951542031  -0.6015966765
O    2.8770917669  -1.6660702911  -1.6299049183
N    0.7453960040  -1.2510350779  -1.0760632791
C   -3.7705111901   0.9263485738  -1.9906917122
C   -2.5470668799   0.0501584734  -0.1002430456
C   -0.3290816272  -0.8946227601  -0.2437500419
C    2.5520737469  -0.5200818647   0.4093270517
C   -1.4393501566  -0.3149528522  -0.8577628308
C    2.3338286889   0.8363763321   0.6676243087
C   -5.2508492987   1.0530968132  -2.2877346289
C   -3.0178688006   2.2096800929  -2.2973879767
C    2.0786910700  -1.1861379275  -0.8411166116
C   -2.5270724482  -0.1493456972   1.2822896093
C   -0.3229959200  -1.1289549110   1.1242789672
C    3.2972482465  -1.2996131723   1.2906633624
C   -1.4239227389  -0.7347627045   1.8729876852
C    2.8505352630   1.3638728756   1.8495221665
C    1.5756694862   1.7297362338  -0.2697588338
C    3.7837026657  -0.7604684557   2.4690946573
C    3.5534544843   0.5788512984   2.7496942279
H   -3.3672599788   0.1037281410  -2.5918063034
H   -1.4045660010  -0.1504539255  -1.9264396411
H    0.4973689432  -1.6078157321  -1.9898407965
H   -5.7796319422   0.1228347657  -2.0773375309
H   -5.7083925749   1.8513925220  -1.7006429581
H   -5.3980409836   1.2864037533  -3.3421012458
H   -1.9540132588   2.1402429902  -2.0679235169
H   -3.4302460560   3.0470380005  -1.7317788777
H   -3.1041851461   2.4454764222  -3.3584727889
H   -3.3818099359   0.1440404907   1.8784577709
H    0.5112146179  -1.6158319350   1.6069586764
H    3.4759207125  -2.3431703550   1.0624394566
H   -1.4235539934  -0.9040420962   2.9419138664
H    2.6987967505   2.4146162206   2.0660336248
H    1.8826321685   2.7673156366  -0.1419264585
H    1.7302920775   1.4721262034  -1.3172722284
H    0.5017404684   1.6880603381  -0.0763857784
H    4.3423712903  -1.3795048380   3.1585216834
H    3.9323772091   1.0169377068   3.6641600124
*