! 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   -3.2634678506   0.5262410921  -1.4653303160
O    2.9961519231  -2.3082935463  -1.1790806936
N    0.8989382557  -1.5731201060  -0.8912815973
C   -4.4605571078   1.1910683718  -1.0453433806
C   -2.3160743662   0.1845753824  -0.5740836125
C   -0.1647881162  -0.8866113078  -0.2833502080
C    2.7189830914  -0.6002272705   0.4278285220
C   -1.2128202528  -0.4860798836  -1.1011174372
C    2.6421381627   0.7856437204   0.2602029191
C   -5.0386251540   1.8368826319  -2.2868231143
C   -5.4316291522   0.2125666077  -0.4100785916
C    2.2238103173  -1.5557430683  -0.6067944922
C   -2.3537099120   0.4734688784   0.7886857118
C   -0.2175471258  -0.6366785315   1.0870703184
C    3.3259831522  -1.1486289558   1.5541674032
C   -1.3028571448   0.0551409462   1.5939022353
C    3.1497052569   1.5910432218   1.2776771477
C    2.0403987945   1.4201109442  -0.9587055313
C    3.8062230629  -0.3298084086   2.5622246709
C    3.7097320749   1.0473192993   2.4231822599
H   -4.2055455418   1.9811272149  -0.3303287433
H   -1.1734054677  -0.6810485390  -2.1665816693
H    0.6522731563  -2.1481417450  -1.6870470546
H   -4.3375741841   2.5439878191  -2.7315463161
H   -5.3009623882   1.0907972603  -3.0389814842
H   -5.9448962420   2.3861681837  -2.0313191580
H   -5.0156456357  -0.2875664157   0.4650165234
H   -5.7362726103  -0.5546326636  -1.1239603370
H   -6.3279155918   0.7416351830  -0.0837330806
H   -3.1799768405   1.0027336196   1.2413345720
H    0.5579974379  -0.9789604283   1.7551567378
H    3.3979725164  -2.2244429838   1.6559643230
H   -1.3450076240   0.2607307966   2.6556856077
H    3.1055271767   2.6680264652   1.1678135013
H    2.4374440162   2.4245929787  -1.1034912723
H    2.2424065933   0.8572012268  -1.8698355480
H    0.9561943520   1.5155259710  -0.8669504294
H    4.2560169868  -0.7636150121   3.4454533352
H    4.0825117111   1.7007054065   3.2013982637
*