! 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   0.6421686572   0.5557587174  -2.2367068366
Cl  -5.3152037305   0.2442953394   0.3156521491
O    0.8607281123  -0.3214976240   2.2338790980
N    1.3908962875  -3.2938692297  -1.2087376268
N    3.2113590566  -2.8708171850   0.2265513056
C    0.6818927134  -0.1668542491   0.8420612367
C   -0.8193541683  -0.0561600405   0.5967873585
C    1.4770025515   1.0411399573   0.3240644875
C    1.3260673804  -1.4131387397   0.2471381981
C   -1.6309714725  -1.1494502010   0.8989315800
C   -1.4316129928   1.1396126210   0.2441247565
C    1.5375606456   1.4099162042  -1.0219201702
C    2.2375674122   1.7951426704   1.2151175224
C    0.7699483591  -2.2214066394  -0.7318892774
C    2.5858084998  -1.7999373927   0.6911248580
C   -3.0094254034  -1.0697754809   0.8045577708
C   -2.8128590789   1.2414655876   0.1572360813
C    2.3065950160   2.4791100468  -1.4563707417
C    3.0106610965   2.8668897968   0.7958021024
C   -3.5916701675   0.1312649291   0.4297368933
C    3.0471934325   3.2120467879  -0.5443444262
C    2.5800356416  -3.5681686264  -0.7048315727
H   -1.1949742738  -2.0868471135   1.2205042145
H   -0.8452258548   2.0254273392   0.0403051344
H    2.2404094079   1.5373586580   2.2642940533
H    0.3420504890   0.3490209174   2.6956155095
H   -0.2072076870  -2.0139196635  -1.1493748078
H    3.1132726643  -1.2296496623   1.4475836366
H   -3.6189411022  -1.9336888289   1.0319265664
H   -3.2681075848   2.1823664487  -0.1197064376
H    2.3262211606   2.7359057098  -2.5069605116
H    3.5858480988   3.4259762748   1.5215680188
H    3.6475535902   4.0441772473  -0.8868735200
H    3.0879035123  -4.4443516717  -1.0907371835
*