! 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   0.2601880866  -0.1803132640   1.9796225010
Cl   1.7613288033  -4.3753544694  -0.9149215626
O   -1.1831208376   1.6036241122   0.2153214849
O   -1.0056170392   1.5446958163  -1.9970405154
N    1.7076288245   2.2519157580   0.3281933115
N    2.7528212816   1.4229047929   0.3642792926
N    2.5894835185   2.5634001773   2.2844304533
C   -0.2941328964   1.3190078419  -0.8161765894
C   -2.5112398462   1.3347668990  -0.2358446446
C   -2.3322200137   1.1176673092  -1.7461999251
C   -3.1385142651   0.1508344791   0.4760496577
C    0.8496914371   2.3370858234  -0.8215443018
C    0.2170663162  -0.1242593126  -0.7679371178
C   -4.5911588400  -0.0544781047   0.0589066749
C    0.4791616313  -0.8429104449   0.3972888554
C    0.4811608335  -0.7630844636  -1.9776485383
C   -5.2236553510  -1.2600476885   0.7359394617
C    0.9480182197  -2.1493408658   0.3563324258
C    0.9567323911  -2.0603130591  -2.0471821332
C    1.6188989327   2.9215111553   1.4803804667
C    1.1801195681  -2.7480837556  -0.8677518277
C    3.2497101930   1.6425855630   1.5540946570
H   -3.1042044916   2.2334612273  -0.0385876720
H   -2.4616888168   0.0644017482  -2.0230559208
H   -3.0091087647   1.7176894174  -2.3530186734
H   -3.0908880344   0.3115561938   1.5564545254
H   -2.5611939701  -0.7553675352   0.2648633104
H    0.4231436114   3.3397655309  -0.8603608188
H    1.4601762812   2.1956816767  -1.7125827298
H   -4.6588631060  -0.1793175998  -1.0267897054
H   -5.1679686429   0.8445791043   0.2962637627
H    0.3057321904  -0.2368282866  -2.9059612124
H   -6.2657472011  -1.3819846346   0.4370860410
H   -4.6981352995  -2.1812488768   0.4772919800
H   -5.2023000506  -1.1638291959   1.8232752593
H    1.1335728726  -2.6871097529   1.2755351458
H    1.1434773583  -2.5204126971  -3.0072740239
H    0.8498997696   3.6517185438   1.6779662436
H    4.1273979345   1.1236496841   1.9070469960
*