! 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   -3.3168349102  -1.3730293889   0.2716352065
O   -0.2461070828   3.3340614288  -0.9588669998
O   -1.7678974096   1.2932796606  -0.0884491484
O   -2.1239716635  -1.2186818329  -1.6024232197
N   -0.0559915412  -0.1520116942   0.0856866522
C   -0.9621479182  -1.2183341508   0.5100961781
C    1.3484729698  -0.3963187317   0.1353183743
C    2.0965910167   0.0434572042   1.2341223714
C    1.9474765648  -1.1028059120  -0.9181180736
C   -1.2578755216  -1.1823745648   2.0010893539
C   -0.5746038428   1.0670889247  -0.1937116608
C   -2.1889299239  -1.2376298446  -0.4001178228
C    3.4583890631  -0.2518261125   1.2666182481
C    3.3076469172  -1.3780412710  -0.8436720984
C    1.5226033126   0.8454893799   2.3669190180
C    1.1611909634  -1.5614486919  -2.1084491342
C    4.0594271560  -0.9611894001   0.2437556082
C    0.3958118058   2.1242948971  -0.7131627834
C   -4.5239801823  -1.4392604389  -0.4857120322
C   -0.4133106761   4.1313144156   0.1918854491
H   -0.4469467224  -2.1600876795   0.2954119741
H   -0.3258417111  -1.2560733031   2.5604696536
H   -1.7705722370  -0.2699107069   2.3026155378
H   -1.8683599732  -2.0346514745   2.2963475611
H    4.0503336186   0.0848068665   2.1094863655
H    3.7844919657  -1.9188767142  -1.6520157013
H    0.4681255810   1.0838027461   2.2551788704
H    1.6324409585   0.3126907580   3.3128255961
H    2.0604886844   1.7888410381   2.4754864599
H    1.8251638755  -1.7612404003  -2.9479829306
H    0.6204184275  -2.4871103826  -1.9020263954
H    0.4230704450  -0.8305839620  -2.4296209421
H    5.1183877539  -1.1812531717   0.2866963360
H    1.2461997506   2.2487433062  -0.0316439828
H    0.8130634094   1.7663699586  -1.6604128324
H   -4.6769780483  -0.5318603517  -1.0698559140
H   -5.3263094895  -1.5357401392   0.2404948935
H   -4.5350605820  -2.3033303068  -1.1497129939
H   -1.0356341491   3.6568069019   0.9559523780
H   -0.9029965085   5.0543746017  -0.1161959912
H    0.5494153969   4.3914917668   0.6471709967
*