! 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   1.9708302408   1.9490147720   2.5961913663
Cl  -6.5269904673  -1.8375487906  -1.2598166195
O    3.6537463156  -0.4145308678  -0.8664973009
O    4.1232999052   1.0451834163   0.7711782870
O   -2.1721984794   1.9387970472  -0.2077738773
N    1.9352257668  -1.8590644269   1.1763583099
N    1.8236639721  -2.6951158338   0.1421909716
N   -0.1100082641  -2.5788996464   1.2665545034
C    3.1778285833   0.1028756048   0.3344181898
C    4.4765390326   0.5843248222  -1.4647593438
C    3.1019201012  -1.0380198565   1.3676365401
C    5.1092016215   1.2117189550  -0.2359443166
C    1.7964740557   0.7294118091   0.1529817925
C    5.4406072437  -0.0536581187  -2.4304118100
C    1.1664032438   1.5002803827   1.1265861111
C    1.0474244024   0.4025287653  -0.9753598755
C   -0.1564761531   1.8988171587   1.0054703456
C   -0.2670526249   0.8011832506  -1.1305492691
C   -0.8715718652   1.5329541934  -0.1207608050
C    0.7725022923  -1.7912407104   1.8309005184
C    0.5854200992  -3.1067275010   0.2386810635
C   -3.1430372413   1.0091076623  -0.4527793420
C   -3.0345937749  -0.3198349658  -0.0603403832
C   -4.2936669179   1.4625497182  -1.0833937069
C   -4.0800755295  -1.1951206438  -0.3123917868
C   -5.3404300415   0.5889858837  -1.3260186452
C   -5.2250512609  -0.7384366011  -0.9441903201
H    3.8516988605   1.3202722135  -1.9876473165
H    3.0535717655  -0.6220984705   2.3721919834
H    3.9988191074  -1.6542328986   1.3033764649
H    6.0339148329   0.6960600995   0.0473888024
H    5.3273764687   2.2723964317  -0.3659219611
H    6.1126718513   0.7033485380  -2.8356577915
H    6.0459160493  -0.8173722373  -1.9402466407
H    4.9170352628  -0.5105259590  -3.2703361555
H    1.4960008113  -0.1974669647  -1.7539830017
H   -0.6335607892   2.4755615280   1.7868727593
H   -0.8130520353   0.5224175622  -2.0225181111
H    0.6228535152  -1.1720498041   2.7019388707
H    0.1669824942  -3.8192907928  -0.4552023263
H   -2.1516417762  -0.6952959381   0.4421918917
H   -4.3745490898   2.4993663569  -1.3834237487
H   -3.9939332169  -2.2290565184  -0.0066722345
H   -6.2341819562   0.9475929231  -1.8180941451
*