! 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   -3.5652915932  -1.2592488609  -1.4706574749
O   -1.0495369890  -1.0888351238  -0.4639311600
N   -2.0796181811   0.9804507970  -0.1614666471
N   -2.3822862606   1.3326161167  -1.4162612951
N   -2.0213428361   3.1481665044  -0.1637389754
C   -4.6227372356  -0.6880279256   0.6802577617
C   -3.3614611760  -1.1599861786  -0.0871654128
C   -2.0554152551  -0.4120624117   0.2339605116
C   -4.3278172284  -0.6092055429   2.1790547969
C   -5.1812140503   0.6524367759   0.1970980130
C   -5.6977347940  -1.7575007204   0.4555673714
C    0.2630340479  -0.8171387073  -0.2468503996
C   -1.8640351616   2.0773991087   0.5731227223
C    0.7665019166  -0.0966726492   0.8285882385
C    1.1430395998  -1.3450943355  -1.1879106633
C   -2.3356971425   2.6387773737  -1.3714438981
C    3.0326156898  -0.4195647946   0.0124630419
C    2.1367330731   0.0965832016   0.9445004384
C    2.5036173998  -1.1523679401  -1.0532440139
C    4.4872664557  -0.2025968691   0.1403617219
C    5.1040313943  -0.1784771773   1.3929532861
C    5.2832402527  -0.0161120905  -0.9919119958
C    6.4707217221   0.0263971635   1.5093188238
C    6.6503781329   0.1846237578  -0.8759965116
C    7.2508664915   0.2075470343   0.3753869416
H   -3.1667109819  -2.1807278854   0.2635763577
H   -1.8832620636  -0.4306769075   1.3133083783
H   -5.2538200761  -0.4653094330   2.7387906806
H   -3.8642899934  -1.5260702823   2.5522286730
H   -3.6745016249   0.2260166320   2.4404776321
H   -5.3758375307   0.6590361527  -0.8766066074
H   -4.5401743342   1.5022575241   0.4326525724
H   -6.1368950765   0.8457089205   0.6891796466
H   -5.9693400950  -1.8473323649  -0.5967880149
H   -6.6055922433  -1.5075118320   1.0084869500
H   -5.3664978746  -2.7411328185   0.7990439469
H   -3.4940189519  -0.3789073346  -1.8665509219
H   -1.6096623447   2.0489625509   1.6212200381
H    0.1294447824   0.3163835028   1.5977900241
H    0.7537308404  -1.9177009197  -2.0203052542
H   -2.5362810327   3.2468850116  -2.2393609484
H    2.4999427226   0.6829952512   1.7790039347
H    3.1633111645  -1.5961069222  -1.7880830182
H    4.5165345349  -0.3418986264   2.2880907157
H    4.8304249344  -0.0064060850  -1.9757647689
H    6.9283709420   0.0348954192   2.4902595093
H    7.2466216003   0.3315262673  -1.7674753710
H    8.3178416962   0.3647908099   0.4660315885
*