! 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 "WATER"
end
*xyz 0 1
Cl   0.3940722179   0.3762262924  -2.8891629941
Cl   3.7694158358  -2.4842419988   0.1146871283
O   -1.0977350698   1.9276153230   0.9491844107
N   -2.4174228368  -0.6643604765   0.3610877837
N   -2.7699638199  -1.6989541009   2.2775119506
C   -0.9581644819   1.2320829322  -0.2668752090
C   -2.2286865424   0.4246072091  -0.5654696054
C    0.2469106513   0.3311693367  -0.1772452464
C    0.9102637695  -0.1262217293  -1.3112363169
C    0.7036221759  -0.1269735780   1.0555581692
C   -1.9630927343  -1.9454790570   0.2016982077
C   -2.8715220713  -0.5665562987   1.6300557657
C   -1.6015385578   3.2367142040   0.8135286366
C    1.9934181688  -0.9881621673  -1.2402763991
C    1.7789078877  -0.9916839751   1.1601959471
C    2.4176816025  -1.4124796909   0.0062585259
C   -2.1994097283  -2.5692055073   1.3892421473
C   -0.5680835493   4.2412354311   0.4138488160
C    0.7336113462   4.0162732071   0.2901117140
H   -0.8259786449   1.9343467101  -1.0980419436
H   -3.0977727407   1.0827635011  -0.5280791623
H   -2.1896725038   0.0191809427  -1.5752723287
H    0.2108726320   0.1927114178   1.9629302699
H   -1.5336459265  -2.2929638098  -0.7233215604
H   -3.2931758762   0.3452404387   2.0225846610
H   -2.4379566590   3.2765451271   0.1034505976
H   -2.0244917752   3.5175342523   1.7819685756
H    2.4940548479  -1.3164711871  -2.1401365680
H    2.1103980824  -1.3305072310   2.1315868952
H   -1.9915142240  -3.5951554728   1.6489150546
H   -0.9630040463   5.2349356870   0.2257410682
H    1.4079238371   4.8103472437  -0.0015873185
H    1.1826620759   3.0475516754   0.4716750702
*
