! 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   -4.4243030644   0.7029525267   0.7085622150
O   -1.3405892413  -0.5757365971  -0.4661158005
N   -2.1225672502   1.6066429193  -0.3699207254
N   -2.1824365553   1.8107165244  -1.6864075442
N   -2.0647660281   3.7601302456  -0.5898930093
C   -3.9227422789  -1.6937103946   0.5185076326
C   -3.6618322854  -0.2527571743   0.0070202657
C   -2.2293428586   0.2697074694   0.1831711779
C   -3.3893968515  -2.7376295319  -0.4672022203
C   -3.3179937770  -1.9244070678   1.9028040125
C   -5.4425119540  -1.8874255022   0.6029655895
C   -0.0019292782  -0.4607909540  -0.2647365645
C   -2.0621412643   2.7750745625   0.2730297463
C    0.5967552694   0.3870398232   0.6585020530
C    0.7941570374  -1.2874487699  -1.0529233502
C   -2.1373691879   3.1141871427  -1.7715942847
C    2.7947774134  -0.4123897077  -0.0034141941
C    1.9797579497   0.4031448228   0.7766033683
C    2.1686334130  -1.2624583993  -0.9189544932
C    4.2646342806  -0.3723561371   0.1266380689
C    5.0870925797  -0.5322492482  -0.9904478523
C    4.8698375250  -0.1650517057   1.3679870596
C    6.4678700211  -0.4846889087  -0.8706748702
C    6.2503211514  -0.1124918702   1.4872340915
C    7.0564065842  -0.2721612447   0.3683529518
H   -3.9001774329  -0.2276648156  -1.0657823003
H   -2.0109499013   0.3612518933   1.2535382021
H   -3.7585595568  -2.5554267236  -1.4797728289
H   -2.3032657330  -2.7743005075  -0.5111175036
H   -3.7320482317  -3.7325236244  -0.1752543900
H   -2.2261549843  -1.9391212192   1.8846178086
H   -3.6359315717  -2.8912239223   2.2980912570
H   -3.6344404034  -1.1645876067   2.6205110707
H   -5.9050130528  -1.2667498369   1.3708134123
H   -5.6711755160  -2.9250739935   0.8533062229
H   -5.9355772477  -1.6741369648  -0.3496844748
H   -5.3050113572   0.7431903686   0.3254915444
H   -2.0146811447   2.8556710346   1.3478466812
H    0.0265778507   1.0485239304   1.2952922121
H    0.3298715403  -1.9564547229  -1.7667287134
H   -2.1554738732   3.6223887205  -2.7232885663
H    2.4211497272   1.0936613910   1.4839758263
H    2.7589075121  -1.9319347778  -1.5320609999
H    4.6474398400  -0.6719817128  -1.9702431110
H    4.2596299796  -0.0627646130   2.2568710294
H    7.0852964656  -0.6037975056  -1.7518031893
H    6.6967691765   0.0460401013   2.4604905801
H    8.1339427382  -0.2319796433   0.4612866122
*