! 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   1.4000375625   1.7718305778   1.9903088148
Cl   4.7204154656  -0.1389489565  -1.7122957261
O   -1.6174436462  -0.9857528288   0.0804029627
O   -0.9029056636  -0.1279224305   2.0083873113
N   -1.3869405109   1.7143921757  -1.0955376237
N   -0.4003955731   2.5091049214  -1.5152436222
N   -1.5550909425   1.7078076038  -3.2570472469
C   -0.8538835826   0.0501672057   0.6304104892
C   -1.7291204489  -2.0505461771   1.0293688493
C   -0.9139123443  -1.5284667814   2.2149441299
C   -3.1937625454  -2.3071230105   1.3380719037
C   -1.5326840819   1.3841229571   0.2979959167
C    0.5742179308  -0.0100714526   0.0869141504
C   -3.4042940084  -3.5509125591   2.1930469052
C    1.6231363064   0.7357198335   0.6209275662
C    0.8568753797  -0.7929364021  -1.0275676549
C   -4.8702947748  -3.7903889223   2.5185864669
C    2.8988212975   0.6990495351   0.0799770043
C    2.1201069846  -0.8478623033  -1.5919391725
C   -2.0639494493   1.2382819449  -2.1439362284
C    3.1339600452  -0.0956864369  -1.0281828115
C   -0.5405573722   2.4773084628  -2.8144705450
H   -1.2727189916  -2.9525012081   0.6089022885
H   -1.3688104189  -1.7295437086   3.1847593754
H    0.1023848343  -1.9367136071   2.2219350302
H   -3.7370333573  -2.4239605242   0.3952176066
H   -3.6184810679  -1.4304360031   1.8403035509
H   -1.1027618222   2.1968470315   0.8781737696
H   -2.5918262323   1.3151402604   0.5469346991
H   -2.8403513616  -3.4671100384   3.1272080189
H   -2.9979297492  -4.4233106782   1.6723806708
H    0.0696923420  -1.3793486271  -1.4793027993
H   -5.0012501198  -4.6912676489   3.1195659256
H   -5.2945479859  -2.9565669861   3.0812259975
H   -5.4665410561  -3.9119568215   1.6120766652
H    3.6941353834   1.2867972858   0.5169078039
H    2.3013812556  -1.4678481258  -2.4588848322
H   -2.9081049791   0.5737849808  -2.0485403290
H    0.1096358856   3.0356610245  -3.4700546058
*