! 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   0.6358268701  -0.8211938897  -2.1538197657
Cl   5.5045183889  -0.9027716821   0.0000695087
O   -1.1878821590  -0.4109900074   0.1477870661
O   -0.5943970882   0.9733796562   1.8076806201
N   -2.0470932305   2.1341064221  -0.4120596099
N   -2.6151287822   2.8821863917   0.5368998248
N   -4.1737273436   2.0253906381  -0.8247084837
C   -0.3289770950   0.6296856970   0.4755761346
C   -1.5427724402  -1.0906873508   1.3456371616
C   -1.5017743204   0.0393121502   2.3649455289
C   -2.9008706175  -1.7503123691   1.2284971538
C   -0.6407014859   1.8393091610  -0.4187694317
C    1.1385198057   0.2301933130   0.3271208359
C   -2.9583080348  -3.0082288432   0.3673674240
C    1.6392175172  -0.4242985629  -0.7982168640
C    2.0459983693   0.5399044425   1.3361566106
C   -2.7680577556  -2.7844436040  -1.1259888192
C    2.9755581916  -0.7800734430  -0.9043209662
C    3.3868516726   0.2052258408   1.2527357521
C   -2.9884770984   1.6203027650  -1.2079062561
C    3.8389358716  -0.4620594517   0.1288997102
C   -3.8874482987   2.7930780217   0.2464700546
H   -0.7812098935  -1.8466882365   1.5834503636
H   -2.4838075961   0.5063764399   2.4949982132
H   -1.1430120870  -0.2919109348   3.3405777391
H   -3.6270463837  -1.0099388457   0.8764074244
H   -3.2050418384  -2.0151439057   2.2460069162
H   -0.3338096180   1.6562023205  -1.4469574839
H   -0.0917188134   2.7099504295  -0.0631923251
H   -3.9310175436  -3.4800161180   0.5299037137
H   -2.2159287156  -3.7259415032   0.7304346826
H    1.6999754790   1.0582613724   2.2186720263
H   -3.4931926611  -2.0659677578  -1.5138569256
H   -1.7750337789  -2.4085915025  -1.3660797472
H   -2.9073043031  -3.7172979836  -1.6747953568
H    3.3335916543  -1.2980068184  -1.7832241512
H    4.0626618811   0.4619642720   2.0566195301
H   -2.7633372153   0.9768960238  -2.0436627660
H   -4.6406490112   3.3050192192   0.8253603224
*