! 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   0.6143942569  -1.1225962850   2.5820520272
Cl   4.2675195442  -1.6779397959  -1.2562134923
O   -2.0704165670   0.2529889196  -0.7772319135
O   -1.9775682089  -0.9114710685   1.1144767463
N   -0.3335997947   2.3005468442   0.6711474721
N   -0.5497348509   2.9375873508  -0.4801841738
N    1.4602981925   3.4747737592   0.3487100945
C   -1.3001817072   0.0498749304   0.3698382032
C   -2.8665175480  -0.9090852311  -1.0225087299
C   -2.5303169303  -1.8102651047   0.1705757186
C   -1.2673730740   1.3423762338   1.1967635344
C    0.1077495736  -0.4133454713  -0.0132245726
C   -4.3285075577  -0.5098896889  -1.1141224491
C   -5.2088051849  -1.6577663988  -1.5838391768
C    1.0134176776  -0.9421636792   0.9048349686
C    0.5462983511  -0.2721878767  -1.3263151990
C    2.2908929496  -1.3335794280   0.5336191818
C    1.8151584599  -0.6555284744  -1.7264553523
C    0.8699329594   2.6239754075   1.1506955116
C    2.6782637533  -1.1889440148  -0.7867938952
C    0.5486396346   3.6322857216  -0.6307274432
H   -2.5490697744  -1.3724089699  -1.9627568028
H   -3.4021992686  -2.2862043575   0.6194887640
H   -1.8128733637  -2.5925455595  -0.0980008340
H   -0.9723685967   1.1217482923   2.2202580278
H   -2.2649610681   1.7805123649   1.2229956201
H   -4.4220490539   0.3260467521  -1.8120426514
H   -4.6671279702  -0.1467297867  -0.1388133422
H   -6.2521312063  -1.3473256272  -1.6408956074
H   -4.9153429756  -2.0045469480  -2.5763499567
H   -5.1647503791  -2.5154984614  -0.9096570614
H   -0.1180835288   0.1523106536  -2.0651467254
H    2.9707920750  -1.7433879567   1.2676048657
H    2.1186582071  -0.5346708550  -2.7569950218
H    1.2619473709   2.2252020426   2.0737240524
H    0.6994267836   4.2806028314  -1.4799318156
*