! 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   0.7763943256   2.1404119722   1.0693225106
Cl   4.8851127022  -0.4323456209  -1.1065022153
O   -1.4664244430  -1.6885499218   0.2707213411
O   -1.4030147105   0.2637926320   1.3327056347
N   -1.5036603933   1.6267907365  -1.2610369415
N   -0.5140422057   1.9808323794  -2.0840238392
N   -1.4690237554   3.7928170171  -1.1804097033
C   -1.0370948190  -0.3613820945   0.1495378297
C   -1.5868257797  -2.0143267763   1.6583879080
C   -1.2057723775  -0.7013069787   2.3492823912
C   -3.0031273334  -2.4689037023   1.9598243411
C   -1.8260020502   0.2476759582  -1.0135764543
C    0.4735576469  -0.3266797444  -0.1037547108
C   -3.4767536103  -3.6695564728   1.1463095157
C    1.3239846244   0.7199094629   0.2479283948
C    1.0414572807  -1.4002271346  -0.7875722858
C   -2.6692826538  -4.9376356486   1.3852744049
C    2.6802752575   0.6878527125  -0.0501405081
C    2.3856941248  -1.4519531249  -1.1085434028
C   -2.0617334113   2.7165043475  -0.7269537478
C    3.1988374846  -0.3986634184  -0.7288017541
C   -0.5283134331   3.2860041528  -2.0020674921
H   -0.8665992136  -2.8002202663   1.9037434511
H   -1.8468391575  -0.4527127624   3.1948972472
H   -0.1662667963  -0.7089461683   2.6947701833
H   -3.6858803201  -1.6269970128   1.8043229065
H   -3.0507147318  -2.7127081659   3.0260894415
H   -2.8902099956   0.1745609608  -0.7869247326
H   -1.6360530392  -0.3164648486  -1.9255896695
H   -3.4705460709  -3.4217703628   0.0819012489
H   -4.5223555966  -3.8594362357   1.4014290456
H    0.4158176606  -2.2310700064  -1.0832170133
H   -1.6357432072  -4.8426682365   1.0473860705
H   -2.6456775523  -5.2007787572   2.4452380899
H   -3.1023738003  -5.7834326236   0.8491578220
H    3.3186801714   1.5100929495   0.2426674303
H    2.7859072207  -2.3029447633  -1.6418743434
H   -2.8853545594   2.6746900799  -0.0317523857
H    0.1613042381   3.8977436311  -2.5629951068
*