! 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    0.7954682195   0.3252492688   0.7711813848
O   -5.6262018618  -0.6108848832  -0.0799115783
O    2.1488823636   1.0730703716  -0.8803215985
O   -3.5951013154  -1.4742285558   0.3628602292
N   -3.8918754338   0.7345226219  -0.1612254874
N    2.8353757053  -0.4756432071   0.6581238838
C   -2.6118280637   1.2650731087  -0.0116664063
C   -0.2577760504   1.1387397341   0.4161473533
C   -1.4755232531   0.5001605163   0.2475928281
C   -2.4853793413   2.6504065778  -0.1339338693
C   -0.1195986973   2.5129943895   0.3220421839
C   -1.2537949048   3.2564038979   0.0324083922
C    4.1618075973  -0.6934312792   0.2613398481
C    4.7071592413  -1.9543850841   0.4948968031
C    4.9565933249   0.3058986907  -0.2970462458
C    1.9586980239   0.3757275198   0.0830914632
C   -4.3044876966  -0.5400681849   0.0654797043
C    6.0301927298  -2.2146429073   0.1759394849
C    6.2759682372   0.0283225987  -0.6230220226
C    6.8220608960  -1.2258809317  -0.3907893250
C   -6.2514761507  -1.8907422842   0.0919508840
C   -6.1643984606  -2.7414834728  -1.1530569249
H   -1.5216392299  -0.5734003478   0.3362405631
H   -3.3571482832   3.2574677949  -0.3457441797
H    0.8305658869   3.0015369385   0.4829377841
H   -1.1770221928   4.3319825829  -0.0541611442
H   -4.6171298689   1.4017660466  -0.3813664490
H    2.4751405998  -1.0808922702   1.3821110631
H    4.0927024451  -2.7346765019   0.9282576690
H    4.5676441576   1.2986452035  -0.4654751965
H    6.4385948641  -3.1983656949   0.3670789136
H    6.8855806358   0.8121310052  -1.0537648010
H    7.8544950850  -1.4282319740  -0.6431890450
H   -7.2896709223  -1.6563499349   0.3231631143
H   -5.8286262018  -2.4054224949   0.9559659137
H   -5.1374031713  -3.0104360387  -1.3986706680
H   -6.6075402197  -2.2367847121  -2.0121261205
H   -6.7182423858  -3.6668741165  -0.9900144594
*