! 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   0.4559258066   0.2423986476   2.6201418773
Cl   4.0271055898   3.2070087967  -0.0209392385
N   -1.3296060489  -2.8111735744  -0.8661592784
N   -2.3316835835  -2.9320672976  -1.7386650538
N   -2.5054094295  -4.4809321457  -0.1317983903
C   -0.7387239388  -0.4992732705  -0.1804448083
C   -1.9607168126   0.2117691810  -0.7701905292
C   -0.3410435934  -1.7601885022  -0.9631786601
C    0.4538707364   0.4236466141  -0.1008494198
C   -2.4418709950   1.3782171730   0.0836710267
C    1.0564722828   0.8097127775   1.0942434887
C    1.0072166015   0.9392338610  -1.2728575807
C   -3.6666603943   2.0600820195  -0.5059299465
C    2.1508954180   1.6629606624   1.1329696458
C    2.0994657190   1.7879573145  -1.2709416030
C   -1.4481852284  -3.7368774090   0.0875179667
C    2.6635621237   2.1442512365  -0.0572591287
C   -3.0093384960  -3.9445110328  -1.2592946895
H   -0.9999042021  -0.8226869467   0.8296224176
H   -1.7343849685   0.5588195431  -1.7842213752
H   -2.7758821117  -0.5086006682  -0.8736943886
H    0.5970349375  -2.1589006543  -0.5767020863
H   -0.1924022668  -1.5474610639  -2.0213968159
H   -2.6734328373   1.0160037933   1.0897740531
H   -1.6414796689   2.1141804575   0.2021104039
H    0.5691513501   0.6757135775  -2.2275823650
H   -3.4543392311   2.4773290322  -1.4923829716
H   -4.0091855540   2.8790072994   0.1283226926
H   -4.4990359110   1.3621843432  -0.6171602136
H    2.5914253232   1.9454903631   2.0789502035
H    2.4985901865   2.1647166051  -2.2023396022
H   -0.7461645886  -3.8359830836   0.9012587604
H   -3.8990524544  -4.3143120489  -1.7451981220
*