! 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
Cl   5.2071281858   0.7313164013   1.2695319637
O   -1.1612672525   0.3707173237   1.3402398963
N   -0.3888531327  -1.7431327501  -0.5147852904
N    0.4248624652  -1.7417388781   0.5463446048
N    1.3582098709  -2.8754229731  -1.1323984158
C   -1.8094615330   0.2459427407   0.0977781958
C   -3.2965136284   0.6464950675   0.2825858175
C   -1.3443157432   1.3093810417  -0.9310039178
C   -3.7735148210   1.0230339855  -1.1268809425
C   -2.5157293848   1.4267554272  -1.9121243138
C   -4.2428750577  -0.3238880207   1.0021290028
C   -1.7310077089  -1.1970871336  -0.4287569406
C   -0.0314977810   1.1448584432  -1.6918672265
C   -3.7809424795  -0.7184354220   2.4025071736
C   -5.6407836963   0.2878985158   1.0892915294
C    1.2547931054   1.0515832427  -0.9133304805
C    0.1810022315  -2.4277271990  -1.5065236574
C    2.3166741908   0.3254164353  -1.4458434892
C    1.4589958001   1.7039708910   0.3003359835
C    3.5321500160   0.2205581179  -0.7883891799
C    2.6668797567   1.6105038947   0.9757304520
C    1.4629576509  -2.4227718464   0.1289371243
C    3.6939302491   0.8595803777   0.4287012671
H   -3.2591242296   1.5641741191   0.8858604300
H   -1.2936356434   2.2435713925  -0.3599138718
H   -4.5082972345   1.8270981467  -1.0940356663
H   -4.2714789748   0.1734630872  -1.6021908748
H   -2.3628978317   0.7624514575  -2.7671702957
H   -2.5830644836   2.4358465573  -2.3206479742
H   -4.3335819418  -1.2363978969   0.3997141763
H   -2.1690753712  -1.2754040522  -1.4240220225
H   -2.3003392264  -1.8618418177   0.2218192134
H    0.0447527954   2.0085168199  -2.3630007531
H   -0.0985136251   0.2852121880  -2.3638184328
H   -0.3562799828  -0.1705371664   1.3440072142
H   -4.5293274548  -1.3540061730   2.8802724351
H   -2.8415838299  -1.2679333345   2.4075684817
H   -3.6473151510   0.1607973421   3.0365275968
H   -5.6247077690   1.2343957941   1.6365742838
H   -6.3245124084  -0.3817247036   1.6146576299
H   -6.0740754203   0.4814628718   0.1074881829
H   -0.2920771605  -2.5786150656  -2.4644304057
H    2.1979683962  -0.1802914672  -2.3963229300
H    0.6712485317   2.2968494108   0.7443589683
H    4.3374980689  -0.3563824812  -1.2229437750
H    2.7980104485   2.1197403180   1.9210426406
H    2.3231245845  -2.5915676434   0.7570127217
*