! 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   0.8268853711  -1.3502941535  -2.2656547392
Cl   4.9148012207   1.0910573904   0.1259360496
O   -1.2606113476  -1.6097588587  -0.1880177048
O   -1.5351591544   0.0018923040   1.3279136369
N   -1.3030722940   1.9753730667  -0.8914596023
N   -0.3446398046   2.4598256316  -1.6842948760
N   -1.0272961453   4.0243498598  -0.2371866069
C   -0.9790864698  -0.2681169791   0.0779471318
C   -1.5812603474  -2.2857848878   1.0284812321
C   -1.4068938835  -1.1917062728   2.0827951475
C   -2.9860927677  -2.8578838271   0.9443668225
C   -1.7019224994   0.5941939286  -0.9656903357
C    0.5235782513   0.0133413285   0.0846967634
C   -3.3193694794  -3.7693988193   2.1193493749
C    1.3867916826  -0.4145891342  -0.9208339929
C    1.0675143955   0.8007021026   1.0949652819
C   -4.7210924960  -4.3519303480   2.0243870362
C    2.7356942846  -0.0939287121  -0.9139641246
C    2.4094392757   1.1390806028   1.1271727318
C   -1.6957506569   2.9165071240  -0.0277035137
C    3.2351086608   0.6829644029   0.1160417195
C   -0.2140536787   3.6892921031  -1.2592025036
H   -0.8596511725  -3.0941494930   1.1829655513
H   -2.1777534279  -1.1949250916   2.8530531645
H   -0.4302389601  -1.2510236921   2.5742255064
H   -3.0786019446  -3.4255067530   0.0135011338
H   -3.7111020647  -2.0381504085   0.8866365931
H   -2.7779388749   0.5172549193  -0.8066471650
H   -1.4843201222   0.2400686144  -1.9704504840
H   -3.2231610702  -3.2213910910   3.0615493173
H   -2.5889042071  -4.5827080636   2.1668997139
H    0.4298815773   1.1703524172   1.8858262455
H   -4.9318849331  -5.0162431185   2.8636150956
H   -5.4804254972  -3.5676057176   2.0286487592
H   -4.8510704690  -4.9302743259   1.1075433091
H    3.3828122630  -0.4414769297  -1.7071766313
H    2.7961159659   1.7517781755   1.9295653106
H   -2.4619487084   2.7551012154   0.7141637258
H    0.4895987597   4.3741088146  -1.7066836750
*