! 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   -3.5728546184  -1.1598825293  -1.5361140909
O   -1.0433290988  -1.0313005552  -0.5460630672
N   -2.0939247397   1.0039222544  -0.1073813417
N   -2.4166856421   1.4274056234  -1.3348829966
N   -2.0603270364   3.1684715653   0.0200887840
C   -4.6051245403  -0.7507928482   0.6628062635
C   -3.3495198449  -1.1523275131  -0.1516820571
C   -2.0488090329  -0.4100899508   0.2019852844
C   -4.2923112762  -0.7794972565   2.1599103154
C   -5.1812671594   0.6161265259   0.2860831151
C   -5.6730125058  -1.8119077230   0.3734521908
C    0.2697578692  -0.7776193113  -0.3118767305
C   -1.8837368599   2.0573445423   0.6897545511
C    1.1514552459  -1.2886795333  -1.2611753522
C    0.7714948838  -0.0886540788   0.7849063202
C   -2.3825665991   2.7289699663  -1.2127005582
C    3.0388752461  -0.4124069892  -0.0236954284
C    2.5130941550  -1.1134189431  -1.1115911511
C    2.1425033680   0.0908281850   0.9139908116
C    4.4940309892  -0.2154363345   0.1249676516
C    5.0104723440   1.0095051606   0.5508989809
C    5.3871845258  -1.2501066074  -0.1589900852
C    6.3782849994   1.1941947295   0.6883723613
C    6.7548038007  -1.0657184797  -0.0206176600
C    7.2564734096   0.1574109020   0.4033614469
H   -3.1366035549  -2.1919738489   0.1254395116
H   -1.8636666617  -0.4923864175   1.2761724456
H   -3.6396378213   0.0379248310   2.4739398079
H   -5.2122070198  -0.6810297567   2.7392626206
H   -3.8204505908  -1.7184302501   2.4607794851
H   -5.3760348202   0.7056500802  -0.7838140118
H   -4.5511514920   1.4526233640   0.5890031643
H   -6.1390988461   0.7581139875   0.7910101269
H   -5.9560499479  -1.8291659749  -0.6794411123
H   -6.5763405955  -1.6109730023   0.9527420184
H   -5.3293536684  -2.8140183446   0.6422659777
H   -3.5041237128  -0.2558206139  -1.8744083631
H   -1.6188297795   1.9694021630   1.7321025807
H    0.7614164661  -1.8212894110  -2.1194314351
H    0.1342952245   0.2976209999   1.5675869870
H   -2.5993413094   3.3855682159  -2.0405322746
H    3.1742433935  -1.5087922021  -1.8726499906
H    2.5106942947   0.6186005725   1.7848774359
H    4.3398148941   1.8348204627   0.7570990553
H    5.0111934610  -2.2166028609  -0.4718658291
H    6.7586778737   2.1544053617   1.0126404880
H    7.4297675017  -1.8834087029  -0.2389041675
H    8.3237965367   0.3014727034   0.5104678701
*