! 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   -3.7967975448  -0.7340742214  -1.5012484890
O   -1.0828236237  -0.9107542275  -0.7236871471
N   -2.1647657624   1.0952916546  -0.2655972580
N   -2.0903970298   2.0270576020   0.6914662144
N   -2.2207152965   2.9866398951  -1.3237136099
C   -4.4740360188  -0.9963434779   0.8535008806
C   -3.3645638246  -1.1075114193  -0.2178187506
C   -2.0807134798  -0.3167878179   0.0607886477
C   -5.6513140142  -1.8590764433   0.3831318551
C   -3.9633804880  -1.5720504015   2.1762643514
C   -4.9711029623   0.4324104435   1.0666785278
C    0.2295039215  -0.6821341567  -0.4527016458
C   -2.2327544316   1.6845834621  -1.4666751784
C    0.7042893043   0.1465337629   0.5565572780
C    1.1327869189  -1.3571393857  -1.2699153098
C   -2.1376065157   3.1427477059   0.0135683186
C    2.9942217428  -0.3802531138  -0.0667561057
C    2.0736830046   0.2851873619   0.7374850991
C    2.4916246342  -1.2068289280  -1.0752252042
C    4.4465399948  -0.2060419654   0.1290943134
C    5.3156279697  -0.1769764368  -0.9634961792
C    4.9870785586  -0.0547461482   1.4078708490
C    6.6790566348   0.0010431512  -0.7841519260
C    6.3499835853   0.1277274501   1.5871619723
C    7.2026236796   0.1572018209   0.4919694769
H   -3.0434748914  -2.1595009846  -0.2092252457
H   -1.8370243033  -0.3678776182   1.1241808624
H   -6.4039924379  -1.9320211255   1.1700524269
H   -6.1532193224  -1.4385721330  -0.4904315084
H   -5.3416321037  -2.8789514104   0.1385640135
H   -3.6197650909  -2.6034597619   2.0640505837
H   -4.7625373305  -1.5758520237   2.9195536572
H   -3.1419501800  -0.9948438183   2.6049790156
H   -4.2273173031   1.0695534726   1.5448038119
H   -5.8483915100   0.4272871392   1.7174524348
H   -5.2675396809   0.9049681761   0.1285653635
H   -4.3506920713  -1.4336447716  -1.8602288864
H   -2.2749845678   1.1453434881  -2.3979003640
H    0.0450950987   0.7083925371   1.2036343566
H    0.7625294913  -2.0089428021  -2.0513129481
H   -2.1036881711   4.1062881548   0.4978314374
H    2.4185639410   0.9553530477   1.5146975129
H    3.1702123812  -1.7615316122  -1.7109984720
H    4.9229223515  -0.2714362777  -1.9684206752
H    4.3411705693  -0.0974507300   2.2763070741
H    7.3325421482   0.0280819019  -1.6467076336
H    6.7472475819   0.2403514864   2.5878233136
H    8.2661664344   0.3008093152   0.6318088660
*