! 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   0.0706090344   0.1431147865   2.4638971080
Cl  -4.3478841339  -1.3023284271  -0.1881172370
O    3.6064966266  -1.7431952322  -0.1648693463
N    2.2563724851  -1.9019525562  -0.1323116922
N   -0.0363338886   2.7020768873  -1.9804744215
C    2.2699183885   0.5556720593   0.0692900435
C    1.6224197650  -0.8066812987  -0.0037227022
C    0.1473399443  -0.9494624186  -0.0104303228
C    1.3610064866   1.6889752489  -0.3102938327
C   -0.6556349621  -0.5056188846   1.0360933395
C   -0.4843676425  -1.5378798332  -1.1027798238
C    1.1010232443   2.7485821198   0.5472322996
C    0.7630006384   1.7302262770  -1.5677626762
C   -2.0364040812  -0.6063881883   0.9953001552
C   -1.8613508023  -1.6573420190  -1.1706099696
C   -2.6258301982  -1.1787015573  -0.1196178513
C    0.2695017391   3.7755715811   0.1265498585
C   -0.2783802735   3.7045577026  -1.1428219533
C    4.2345089276  -2.9831224043  -0.4322432845
H    2.6738143708   0.7161914314   1.0722526357
H    3.1370873584   0.5538296380  -0.5970348399
H    0.1165339686  -1.8960532965  -1.9280756983
H    1.5472962382   2.7769240393   1.5334985199
H    0.9530703279   0.9345196658  -2.2824822048
H   -2.6373662131  -0.2553111422   1.8226957117
H   -2.3263780293  -2.1098175593  -2.0353223550
H    0.0482309958   4.6148150231   0.7717915115
H   -0.9382016521   4.4874185690  -1.5000118763
H    4.0214519601  -3.7212339341   0.3445011868
H    5.3047790263  -2.7847221417  -0.4468658684
H    3.9366120367  -3.3873386374  -1.4023960440
*