! 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   1.6203477023   1.9620345209   1.8692559090
Cl   4.7168149234  -0.2441144931  -1.8638439428
O   -1.4537549586  -1.0376538000   0.4871087624
O   -0.5750683103   0.0224340885   2.2642550727
N   -1.4947813657   1.4308318519  -0.9965631641
N   -0.5909251929   2.1239294861  -1.6927131380
N   -2.0490379836   1.1306409973  -3.0716876291
C   -0.6706090406   0.0494996612   0.8659960480
C   -1.4157087708  -2.0057341948   1.5305535579
C   -1.2413839066  -1.1275326706   2.7592929877
C   -2.6621646032  -2.8687493356   1.4957567227
C   -1.4111408068   1.3239722590   0.4370314535
C    0.7136367432  -0.0282826349   0.2272722229
C   -3.9887274064  -2.1182118918   1.4500802657
C    1.7753436715   0.7924152214   0.6019527196
C    0.9322790125  -0.9053918079  -0.8296727669
C   -5.1763306170  -3.0680729945   1.4791442076
C    3.0072249458   0.7307811446  -0.0309748077
C    2.1512686087  -0.9881910265  -1.4808174350
C   -2.3541083352   0.8388710307  -1.8310089957
C    3.1839481760  -0.1651057970  -1.0704947762
C   -0.9646280549   1.9184620869  -2.9284879736
H   -0.5335568037  -2.6477297130   1.4083126587
H   -2.1959876873  -0.8454138213   3.2149686153
H   -0.6265813619  -1.6039774535   3.5241375259
H   -2.6293224209  -3.5154644790   2.3786764224
H   -2.5974342646  -3.5410182029   0.6354383231
H   -0.9075788315   2.2128663367   0.8087686884
H   -2.4179503710   1.3095524575   0.8565423087
H   -4.0382631640  -1.5085852277   0.5453217183
H   -4.0670684217  -1.4236198858   2.2908266519
H    0.1298376700  -1.5466665533  -1.1656774305
H   -5.1903150281  -3.6652859029   2.3929296095
H   -6.1196871793  -2.5227664462   1.4299212172
H   -5.1552851821  -3.7605509364   0.6351675777
H    3.8138548072   1.3788666558   0.2826383312
H    2.2835186674  -1.6836933765  -2.2976874744
H   -3.1733721536   0.2224706180  -1.4964490549
H   -0.4361209404   2.3563161449  -3.7611495399
*