! 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  -0.1426278699  -0.1299112471  -2.0004778971
Cl  -4.4939792057  -1.5378199124   0.7719944642
O    3.4575234159  -1.2202817201  -0.1711353414
N    2.1299226519  -1.5156675383  -0.1465825460
N    1.7807915977   3.2983733699  -1.1594456626
C    1.9169771198   0.4844298310   1.3241483737
C    1.4386261245  -0.7244454249   0.5631995147
C   -0.0238949701  -0.9687388148   0.5769254228
C    1.4270459136   1.7124716661   0.6048342862
C   -0.8310167593  -0.7149687049  -0.5292667215
C   -0.6423626549  -1.3915719803   1.7497538916
C    0.1821317452   2.2716089479   0.8625857568
C    2.1799504047   2.2724938061  -0.4223124585
C   -2.2059154974  -0.8895611019  -0.4806168275
C   -2.0113465251  -1.5788919028   1.8254219541
C   -2.7801811165  -1.3235683315   0.7015905411
C   -0.2508105836   3.3375980343   0.0908204368
C    0.5818964850   3.8112456106  -0.9098595514
C    4.1408144507  -2.1399510731  -1.0009842507
H    1.5052343838   0.4539067160   2.3355923283
H    3.0014492875   0.4959264546   1.4172496336
H   -0.0383068621  -1.5838416350   2.6274169698
H   -0.4443666834   1.8797931661   1.6549380430
H    3.1583253547   1.8627483698  -0.6555482886
H   -2.8158976283  -0.6819451183  -1.3487560979
H   -2.4659581947  -1.9152973131   2.7465749498
H   -1.2163882732   3.7945132035   0.2595033298
H    0.2699207365   4.6430057072  -1.5315108097
H    5.1880491234  -1.8436284474  -0.9832566821
H    3.7803988112  -2.1021588795  -2.0315973729
H    4.0569911200  -3.1642536759  -0.6303521138
*