! 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  -1.0659263509   0.6714344637   1.8102835305
Cl  -5.7928771030   0.0095179596  -0.7703545233
O    0.0011941331  -0.6073727428  -0.4270049675
O    3.0792101096  -0.9421411142  -2.0687058854
N    2.4776265025  -0.0822610575  -0.0422757719
C    0.8187009689  -1.2115362256  -1.4140512597
C   -1.3273147026  -0.5026380357  -0.5776855699
C    2.2472574051  -0.7145413458  -1.2094117083
C    0.7875867824  -2.7279203201  -1.3122887546
C   -3.3954626755   0.3031707826   0.4551197173
C   -2.0158096474   0.1201366250   0.4703511580
C   -2.0403682068  -0.9523290567  -1.6778958443
C    3.6692964519   0.4511796019   0.4613949648
C   -4.0711886068  -0.1717379687  -0.6731739775
C   -3.4147876949  -0.7843452848  -1.7210236390
C   -4.1478587889   0.9672489605   1.5641648185
C    3.5868851515   1.0923712848   1.6993388842
C    4.9032375094   0.3739513156  -0.1845799772
C    4.7122722239   1.6469410770   2.2826218630
C    6.0231352424   0.9365438669   0.4134632227
C    5.9418836666   1.5740566378   1.6418597334
H    0.5209590369  -0.8836934495  -2.4155067357
H    1.1055734848  -3.0573015519  -0.3223053093
H    1.4545381470  -3.1676071438  -2.0524077455
H   -0.2112114840  -3.1219137360  -1.4982395261
H    1.6697636345   0.0391268029   0.5513509797
H   -1.5519727885  -1.4363116573  -2.5118885835
H   -3.9655629260  -1.1400020420  -2.5807005593
H   -4.8937538756   0.2920336439   1.9853562455
H   -4.6794683208   1.8468200226   1.1988968856
H   -3.5005948075   1.2881620946   2.3744442630
H    2.6339929115   1.1581370921   2.2127407908
H    5.0041052563  -0.1159725400  -1.1389698518
H    4.6239289561   2.1383698867   3.2427801316
H    6.9746578825   0.8694348153  -0.0982369405
H    6.8234390906   2.0075345276   2.0950657537
*