! 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    2.4590759034  -2.8100473966  -0.1182678510
O    2.3664155300  -1.1132141397  -1.5657604098
O    2.4690858054   0.7867674236   0.8515305668
O    0.2192035358   2.5595724108  -0.9361304895
N    0.9319751282  -1.2744204405   0.2434404399
N    0.4603292586   0.0082870543   0.1823044373
C    0.9612878713  -2.0203545986   1.4890935489
C   -0.9560602880   0.1517549529   0.0617213940
C    1.6932116434  -3.2632854653   1.0079616732
C   -1.7187194243   0.4069274082   1.2029481635
C   -1.5468591413  -0.0150743135  -1.1982418810
C    1.9569668070  -1.6628065618  -0.5800956062
C    1.3356522604   1.0178366720   0.4857830311
C   -3.1030672479   0.5144116999   1.0582409569
C   -2.9266976056   0.0897874427  -1.2948787944
C   -1.1424255184   0.5741140565   2.5802461342
C   -0.7295806675  -0.3005606880  -2.4182242315
C   -3.7027635154   0.3557756787  -0.1748711066
C    0.8079209140   2.4290352784   0.3228195034
C   -0.6371996772   3.6695117717  -1.0373551942
H   -0.0405297117  -2.2508898093   1.8477294326
H    1.5103472399  -1.4860762612   2.2681247109
H    2.3705977027  -3.6796077136   1.7489144433
H    1.0019572561  -4.0379392561   0.6732605261
H   -3.7105208263   0.7160415259   1.9326280713
H   -3.4013194533  -0.0311184794  -2.2609834743
H   -1.5942730119  -0.1408754247   3.2694684834
H   -0.0656031546   0.4366841503   2.6411004925
H   -1.3628869199   1.5683631591   2.9726241713
H    0.1349407876   0.3559343379  -2.4895736765
H   -0.3610972432  -1.3277898699  -2.4255889455
H   -1.3306583636  -0.1697118591  -3.3174282383
H   -4.7781098450   0.4377313496  -0.2691278831
H    1.6523757468   3.1152839262   0.4577026935
H    0.0980174615   2.6407748023   1.1358886137
H   -0.1084729042   4.6173189415  -0.8829969653
H   -1.4619783842   3.6164031394  -0.3171573922
H   -1.0582785038   3.6716218874  -2.0418608836
*