! 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   4.0517370710   1.6650723813   1.5532770846
Cl   5.1319619835  -0.6298195703   0.1987378764
Cl   3.9163751608   1.4963352243  -1.3196865152
Cl  -3.6837730324   1.1293319852   1.8644516598
Cl  -3.8472440675   1.4305391570  -0.9915203449
Cl  -5.3213283195  -0.6656616249   0.3314658377
O    2.0759926958  -2.9608304429   0.6060743543
O   -1.5403514294  -3.2630294670  -0.2911939240
N    1.3968930825   0.7977760627   0.4670508897
N   -1.3672291719   0.0248118524   0.3028689370
N    2.3270651558  -1.1255710957  -0.7194580341
N   -2.7655973606  -1.4850436767  -1.0024114078
C   -0.5902721031   0.1812394924  -0.9141751716
C    0.5758629478   1.1357811304  -0.6824562624
C   -0.5514030539  -0.3648318026   1.4447257625
C    0.5630642360   0.6448316134   1.6466248868
C    2.4580042696  -0.1522747386   0.3301161239
C   -2.6020396941  -0.7041341387   0.1944907422
C    3.8276407766   0.5683144906   0.1896313496
C   -3.8083558225   0.2552594985   0.3369954224
C    2.1191826433  -2.4380915401  -0.4886216462
C   -2.1848511230  -2.6912329310  -1.1476749374
H   -1.2076938239   0.6071834267  -1.7056241882
H   -0.2086053951  -0.7775708293  -1.2878975392
H   -1.1718741636  -0.3779973197   2.3422763881
H   -0.1332054250  -1.3749956844   1.3286769901
H    0.1816943529   2.1430094360  -0.5188141191
H    1.1727571014   1.1940256053  -1.5919434648
H    1.1766668748   0.3574912233   2.5009151184
H    0.1249243781   1.6186776609   1.8852597501
H    2.5454075722  -0.7150761658   1.2617827322
H   -2.6884069518  -1.3891881470   1.0435262180
H    2.3338058396  -0.8255039274  -1.6827508301
H   -3.1743166923  -1.0697660896  -1.8269682287
H    1.9908144796  -3.0010667688  -1.4232117644
H   -2.3687925308  -3.1181224109  -2.1434508499
*