! 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   0.0327612842  -0.2249134909   2.4927898662
Cl   4.3853097858   1.0023433533  -0.3429609166
N   -1.2882932649  -1.8179118862  -0.6590143888
N   -0.2327496887  -2.1393961581  -1.4087617360
N   -0.4607626331  -3.5910333562   0.2794197422
C   -1.6279162151   0.5594254321  -0.0390721342
C   -2.3470075646   1.8466072170  -0.4596297101
C   -2.0614925832  -0.6235578138  -0.9169614624
C   -0.1260854030   0.7010114018  -0.0701368850
C   -3.8494408821   1.8283342006  -0.1960580148
C    0.6984512746   0.3535642856   0.9967619482
C    0.5091502424   1.1461338446  -1.2283333161
C   -4.5078593823   3.1541111491  -0.5454312807
C    2.0820526651   0.4431667930   0.9285735715
C    1.8839805994   1.2500150489  -1.3310745724
C   -1.4069353548  -2.6851023018   0.3485641322
C    2.6620248626   0.8917489453  -0.2426828362
C    0.2295296732  -3.2082422205  -0.8123437441
H   -1.9384391477   0.3372264524   0.9838239319
H   -1.9043394063   2.6815532627   0.0906910568
H   -2.1675895821   2.0504877177  -1.5199913422
H   -1.9456816569  -0.3889074085  -1.9748001204
H   -3.1116488657  -0.8570731970  -0.7469662412
H   -4.3314903351   1.0318897402  -0.7693230076
H   -4.0277406099   1.5977289177   0.8586153731
H   -0.0869451495   1.4168142195  -2.0906433509
H   -4.0733959797   3.9781451239   0.0240251099
H   -5.5771712046   3.1346356184  -0.3304761137
H   -4.3915817852   3.3894906919  -1.6051539177
H    2.6916512372   0.1640474406   1.7767975727
H    2.3381607282   1.5993899424  -2.2479093474
H   -2.1892729720  -2.6246143912   1.0888961848
H    1.0956725099  -3.7353832610  -1.1816523388
*