! 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   -3.5574093349  -1.4683707779  -1.2677087792
O   -1.0495017212  -1.2101079925  -0.2478675354
N   -2.0570734152   0.8928421542  -0.2333976560
N   -2.3339028308   1.0827895366  -1.5285248953
N   -1.9596747521   3.0403186186  -0.5171480454
C   -4.6317661161  -0.6258223826   0.7829812815
C   -3.3682057069  -1.2041963298   0.0962978834
C   -2.0569538248  -0.4363699890   0.3398940277
C   -5.1609985093   0.6563346533   0.1365834393
C   -5.7214964672  -1.6978497990   0.6702557790
C   -4.3551665970  -0.3734914326   2.2662476855
C    0.2607241989  -0.8828830744  -0.0995059790
C   -1.8335567525   2.0727272396   0.3557285500
C    0.7654937622  -0.0314112688   0.8750498407
C    1.1338492533  -1.4913879856  -0.9969765478
C   -2.2628262521   2.3825889429  -1.6540309910
C    3.0190193571  -0.3820079133   0.0410779540
C    2.1308302667   0.2143790396   0.9312281165
C    2.4915195786  -1.2488227371  -0.9187615932
C    4.4681901985  -0.1095237411   0.1058510422
C    4.9435087119   1.1831894552   0.3329987772
C    5.3964360916  -1.1382445911  -0.0641967779
C    6.3055993392   1.4394622674   0.3873453712
C    6.7583551513  -0.8822039896  -0.0086080932
C    7.2189745076   0.4079773376   0.2167445167
H   -3.1911487734  -2.1766993526   0.5719331899
H   -1.9001810322  -0.3151946104   1.4148630268
H   -4.5092347334   1.5180637320   0.2819064738
H   -5.3397126982   0.5397597004  -0.9334870730
H   -6.1201407670   0.9195026428   0.5876531603
H   -5.9718747465  -1.9167113770  -0.3681624799
H   -6.6361868538  -1.3640512016   1.1641930240
H   -5.4173408042  -2.6347783879   1.1440200876
H   -5.2865691221  -0.1546918966   2.7916517246
H   -3.6954716245   0.4799963012   2.4366054621
H   -3.9078054799  -1.2442508871   2.7525550038
H   -3.4475715609  -0.6480609255  -1.7696109452
H   -1.5978571798   2.1769812329   1.4034657139
H    0.1342928039   0.4319455808   1.6203289285
H    0.7406742790  -2.1510023282  -1.7602821123
H   -2.4383846898   2.8751064308  -2.5973875608
H    2.5025415141   0.8709280551   1.7079980385
H    3.1466706072  -1.7226472709  -1.6391844689
H    4.2441177282   2.0025634554   0.4463461258
H    5.0532936727  -2.1534786792  -0.2219507550
H    6.6536221013   2.4505870700   0.5554932393
H    7.4614598667  -1.6953340891  -0.1360596049
H    8.2818304142   0.6080029672   0.2583757650
*