! 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  -0.4876245098   1.0256133419  -2.4528434103
Cl   3.6808676003   2.7416044632   0.3839405077
O   -2.4229979166   0.0151890399  -0.4183138382
O   -1.6221575034  -1.0945920938   1.3664431742
N    0.1068626100  -2.6098353495  -0.4390124232
N    1.2789841077  -2.3794498963  -1.0357525166
N    1.5300069608  -3.8369709656   0.6441031306
C   -1.3070558879  -0.6635583981   0.0689263186
C   -3.2311911693   0.4092822504   0.6876099153
C   -2.9574743552  -0.7172027626   1.6703542129
C   -1.0802022906  -1.8940439232  -0.8261915518
C   -0.0623655778   0.2181936534   0.1282224523
C   -2.8798386228   1.7917703682   1.2160171523
C   -2.9641388071   2.8789514527   0.1574429973
C    0.3691736038   0.9908715491  -0.9475325581
C    0.7199681079   0.2393183592   1.2786769606
C    1.5119703436   1.7726655536  -0.8767724732
C    1.8709451152   1.0023533783   1.3747621671
C    0.2724995321  -3.4753193631   0.5661326605
C    2.2544235071   1.7701613236   0.2904765885
C    2.1011404444  -3.1366453469  -0.3569017857
H   -4.2673831768   0.4009339916   0.3414454271
H   -3.0094219633  -0.4057965287   2.7144978752
H   -3.6403224551  -1.5597152071   1.5241401551
H   -0.9730904679  -1.6101223794  -1.8702914303
H   -1.9428329820  -2.5566205137  -0.7470328328
H   -3.5802213038   2.0125141995   2.0265326268
H   -1.8843314003   1.7866669115   1.6697375763
H   -2.7482901229   3.8570253418   0.5885112889
H   -2.2518954157   2.7137349035  -0.6510734904
H   -3.9614081406   2.9292205740  -0.2850000691
H    0.4262417927  -0.3529343861   2.1330272638
H    1.8172915723   2.3705495338  -1.7242559611
H    2.4537063030   0.9943431337   2.2853499402
H   -0.5360624531  -3.8154930664   1.1933558516
H    3.1523748409  -3.1915082367  -0.5940239084
*