! 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    0.0284329449  -1.6683216917   0.7662940110
O   -2.5378726512   0.2098582208  -1.8144122738
O    0.1613098661  -0.8702234268  -1.3118300555
O   -0.3988382295   3.8010834005  -1.0512248928
N   -0.3774389444   1.6846039926  -0.2268561436
N    1.5663358384   2.6857732563  -1.1099633146
N    3.6088666993   3.4471774103  -1.4227271851
C    0.3540312657   0.6708084296   0.5261231843
C    0.0737849442   0.7440060549   2.0288597443
C   -1.8319092345   1.7085426068  -0.0459659630
C    0.1488496895  -0.7022161257  -0.1181381569
C    0.1876649922   2.7718324520  -0.7955292138
C    0.3468709914   2.1271627007   2.5985531675
C   -2.4731796833   0.4477031148  -0.4864346321
C   -0.1895810356  -3.0066924604   0.2904716186
C   -0.6738990771  -3.8441819074   1.4520287531
C   -3.0239667024  -0.5883328883   0.1931506489
C    0.2976933476  -3.9790451456   2.6281725253
C    2.2657766611   1.6774611100  -1.7403998187
C    2.4296877112   3.7324188904  -0.9636794395
C   -3.4448762562  -1.5342074470  -0.7890985423
C   -3.1142865753  -0.9947295569  -1.9850980809
C    3.5168765970   2.1725624224  -1.9197874098
C    1.5745931907  -4.6705709782   2.2681623313
C    1.9283309804  -5.8737646896   2.7044831676
H    1.4229519451   0.8670413031   0.4105328002
H   -0.9447802602   0.4296293189   2.2637337066
H    0.7320694403   0.0258372857   2.5188491783
H   -2.2323370444   2.5519155457  -0.6051606866
H   -2.0836506422   1.8846118063   1.0016781470
H    0.2402048891   2.1135133047   3.6834274347
H    1.3639254090   2.4586494932   2.3778601108
H   -0.3398971509   2.8862243684   2.2204839567
H    0.7393777892  -3.3919038755  -0.1367260613
H   -0.9398620748  -2.9975575031  -0.5019089358
H   -0.8999382675  -4.8372528102   1.0550409575
H   -1.6216773763  -3.4356033859   1.8133825501
H   -3.1182628573  -0.6709690482   1.2640867976
H   -0.2045036045  -4.5337174352   3.4242052949
H    0.5187026099  -2.9881144835   3.0356808313
H    1.8128477479   0.7450832370  -2.0298049102
H    2.1328499161   4.6586063858  -0.4975564649
H   -3.9238428653  -2.4853737606  -0.6233861683
H   -3.2339823122  -1.3339245186  -3.0015953520
H    4.3550144064   1.6827211724  -2.3896352902
H    2.2476108250  -4.1424370633   1.5979167227
H    2.8609882848  -6.3351021006   2.4049646877
H    1.3003820309  -6.4453212167   3.3792985804
*