! 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   -3.5789292919  -1.4510168692  -1.2757627598
O   -1.0285112768  -1.0960442188  -0.3902053403
N   -2.1264645345   0.9568536537  -0.2696622811
N   -2.4958953213   1.1638356984  -1.5389684051
N   -2.1395394791   3.1126588971  -0.5047842098
C   -4.5702545593  -0.7015299662   0.8521309018
C   -3.3234960167  -1.2054544640   0.0806544528
C   -2.0356291606  -0.3839064159   0.2692807032
C   -5.1966672247   0.5653280809   0.2651644323
C   -5.6116719273  -1.8240891338   0.7801508282
C   -4.2176135990  -0.4628304529   2.3215894609
C    0.2832867612  -0.7944023519  -0.2078201282
C   -1.9166438819   2.1323736957   0.3337184106
C    0.7833789675   0.0602941545   0.7663148393
C    1.1652754773  -1.4358925256  -1.0740856336
C   -2.4900484516   2.4679359000  -1.6356283404
C    3.0501971946  -0.3657357152   0.0049619289
C    2.1533483068   0.2681561603   0.8591029895
C    2.5257960803  -1.2277985861  -0.9612299070
C    4.5046691937  -0.1411607038   0.1164360532
C    5.4020190039  -1.2026736805  -0.0144449029
C    5.0164667764   1.1357645076   0.3537504454
C    6.7691625878  -0.9938732557   0.0892100721
C    6.3838305228   1.3446788834   0.4566791475
C    7.2661338829   0.2809022895   0.3248820047
H   -3.0759396992  -2.1783589330   0.5224843707
H   -1.8264296475  -0.2808045557   1.3366871769
H   -6.1388765890   0.7749101351   0.7760760646
H   -4.5785223431   1.4544491306   0.3909156219
H   -5.4321438451   0.4607398100  -0.7952078886
H   -6.5069104697  -1.5515832804   1.3421030286
H   -5.2302725092  -2.7558825571   1.2050335103
H   -5.9192138146  -2.0291571983  -0.2456705325
H   -3.6991888292  -1.3181718497   2.7625167701
H   -5.1247528302  -0.2998663369   2.9064707641
H   -3.5912754947   0.4196027589   2.4694084388
H   -3.5511144601  -0.6148640169  -1.7614509056
H   -1.6191712883   2.2249480029   1.3668141324
H    0.1468763787   0.5580838896   1.4839565793
H    0.7759270133  -2.0973749049  -1.8378128989
H   -2.7474864978   2.9734796354  -2.5530223620
H    2.5203916775   0.9258407136   1.6370966505
H    3.1880855507  -1.7295935664  -1.6556806042
H    5.0291421481  -2.2065475100  -0.1776422095
H    4.3426136049   1.9798757344   0.4366093220
H    7.4474940951  -1.8320058941  -0.0069451770
H    6.7608775068   2.3442448653   0.6314030603
H    8.3331142363   0.4440321953   0.4046542431
*