! 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  -0.3872040895  -0.0030692250  -2.5821491556
Cl   4.2280996714  -1.9306491569  -0.7439807477
O   -2.3059164614  -0.3578898273  -0.3584519356
O   -1.6547585499  -0.0937469479   1.7438256519
N   -0.1944241092   2.3932001516   0.7267414338
N    0.0584477726   2.4873351566   2.0322285145
N    1.7506115838   3.3440615356   0.8420577466
C   -1.3092441227   0.2100702382   0.4270719711
C   -2.7441882383  -1.5532456809   0.2800091300
C   -2.2456812465  -1.3832536434   1.7255189685
C   -1.3672549734   1.7297390238   0.2265390416
C    0.0766581491  -0.3471741646   0.0928029575
C   -4.2476021418  -1.6799876046   0.1469293163
C   -4.7185926776  -1.7862212619  -1.2943782553
C    0.5570551889  -0.4770308063  -1.2085982605
C    0.9407301960  -0.6989553766   1.1259680075
C    1.8281130484  -0.9637317329  -1.4756441857
C    2.2142260726  -1.1870840401   0.8899061436
C    0.8261329854   2.8977054904   0.0290739401
C    2.6450071390  -1.3204078823  -0.4175811855
C    1.2318814270   3.0653906149   2.0534882210
H   -2.2597494758  -2.4168833600  -0.1909663768
H   -3.0518851846  -1.3994138851   2.4606907004
H   -1.5220376417  -2.1582653046   1.9945350049
H   -2.2522854083   2.1282474201   0.7223548041
H   -1.4483867370   1.9568287234  -0.8344479283
H   -4.7253626638  -0.8301925921   0.6437804466
H   -4.5535193478  -2.5730788939   0.6981757616
H   -5.7988454043  -1.9278825788  -1.3394040679
H   -4.4824100089  -0.8891826491  -1.8668936176
H   -4.2557333509  -2.6349154069  -1.8013953789
H    0.6165746594  -0.5858581736   2.1506906322
H    2.1730015278  -1.0572082131  -2.4959488126
H    2.8551143852  -1.4549244700   1.7182496918
H    0.8438363432   2.9248807396  -1.0492199799
H    1.7323117899   3.3023292598   2.9793317700
*