! 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   -3.3964956296  -1.2970544189  -0.1078595885
O   -0.0955809291   3.4039840489  -0.9603699178
O   -1.7049402722   1.2450121410  -0.8251311201
O   -2.3871240702  -0.3550799924   1.6450815575
N   -0.0977600696  -0.1366307694  -0.0842133168
C   -1.0489005302  -1.2445951594  -0.1615820675
C    1.2866574394  -0.3716183465   0.1708213874
C    1.8106504002  -0.1701173871   1.4487569845
C    2.0901768434  -0.8127086472  -0.8906405902
C   -0.5132989261  -2.5203286751   0.4761609778
C   -0.5465435112   1.0784078940  -0.4831828670
C   -2.3374297827  -0.8735375104   0.5590100740
C    3.1688388058  -0.4179274004   1.6488480200
C    3.4367453441  -1.0508679356  -0.6505641864
C    0.9828728003   0.3241663735   2.5962944379
C    1.5158634837  -1.0189921291  -2.2600427194
C    3.9741424311  -0.8547583122   0.6138608436
C    0.4537192635   2.2289900542  -0.4567608019
C   -4.6744174639  -1.0921394925   0.4943388972
C   -0.1028300875   3.4719529963  -2.3686011014
H   -1.2883523451  -1.4496165119  -1.2088363730
H    0.3694815742  -2.8905772308  -0.0427035602
H   -0.2628600948  -2.3792879518   1.5272505837
H   -1.2723547388  -3.3002741187   0.4114300775
H    3.5931140174  -0.2661337611   2.6341754190
H    4.0714644104  -1.3904814053  -1.4597570162
H    1.2163255201  -0.2296254639   3.5062532580
H    1.1995821531   1.3745038860   2.8052996885
H   -0.0855246575   0.2390477305   2.4180609882
H    0.8090128092  -1.8509013546  -2.2883308887
H    0.9849846426  -0.1384625772  -2.6263078569
H    2.3018171501  -1.2446161130  -2.9789492173
H    5.0255710883  -1.0435070194   0.7889616619
H    0.7393174484   2.4168265618   0.5832165041
H    1.3761601053   1.9500581009  -0.9840626428
H   -4.7587229651  -1.6168053997   1.4461791152
H   -5.4016902384  -1.4977996452  -0.2034739320
H   -4.8767573091  -0.0318235200   0.6462322002
H   -0.7134366660   2.6918389964  -2.8323997428
H    0.9105348166   3.4062090289  -2.7818752876
H   -0.5209374557   4.4382808371  -2.6486371152
*