! 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   -0.4831647502   2.3081922074   0.5846486859
N    1.3766488879   1.1292710931   0.0979075889
N    1.4427680452  -1.1909773350   0.0381470950
N    3.3404089397   0.0345078673  -0.4447130770
C   -2.0729637924  -0.0854034650   0.9329932447
C   -2.9631550297   0.0038065336  -0.3081118714
C   -0.6104109905  -0.0648963644   0.6025940129
C   -4.4500689847  -0.0386355049   0.0175190816
C    0.1372757573  -1.1970955326   0.3806471339
C    0.0321058784   1.2017269659   0.4449611694
C    2.0443902109  -0.0343483408  -0.1003480911
C   -5.3259836674   0.0452091419  -1.2231368656
C   -0.4694857474  -2.5613432482   0.5115141477
C    4.1221887375  -1.1614267888  -0.6756018708
C    4.0139704857   1.3059489625  -0.6001506542
H   -2.3209316045  -0.9929494915   1.4894099971
H   -2.3096176519   0.7468606501   1.6009578556
H   -2.7177617836  -0.8172178628  -0.9900518262
H   -2.7328919951   0.9270739425  -0.8488865404
H   -4.6763719542  -0.9610851412   0.5618801964
H   -4.6976734026   0.7827235101   0.6972006575
H    1.8424732302   2.0199373200  -0.0171617291
H   -5.1271890237  -0.7830311368  -1.9065825724
H   -5.1500551546   0.9721974807  -1.7728823975
H   -6.3867641974   0.0119760828  -0.9693067795
H   -0.7894146151  -2.7571872231   1.5368044802
H    0.2516641689  -3.3264206163   0.2322695439
H   -1.3497888087  -2.6747331078  -0.1229180434
H    4.5148177278  -1.1690261870  -1.6937242018
H    4.9628985901  -1.2086795199   0.0186212059
H    3.5092065139  -2.0444253093  -0.5356000363
H    5.0466171531   1.1207089431  -0.8823864740
H    3.5699074632   1.9176683676  -1.3892530605
H    4.0330986857   1.8829682455   0.3276759293
*