! 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  -0.0703945221  -2.3451175218  -2.0206620281
Cl  -4.5550904449  -1.7761732360   0.8532381670
O    3.2959869795  -0.3806675670   0.6951426875
N    2.0251963655  -0.8247301191   0.8840578772
N    0.0399571516   3.8015924304  -0.3038470272
C    1.5518556417   0.4702922296  -1.1747633796
C    1.2175966902  -0.4386419123  -0.0174109083
C   -0.1984589903  -0.8108278055   0.2021898422
C    1.4510396622   1.9045198582  -0.7239635312
C   -0.8953782553  -1.6366804929  -0.6755903226
C   -0.8867452350  -0.3051949291   1.3013503896
C    2.5526486217   2.6230229650  -0.2743297061
C    0.2196802218   2.5547991140  -0.7171607206
C   -2.2325982601  -1.9429170870  -0.4883836358
C   -2.2240385576  -0.5941467580   1.5155374043
C   -2.8849437940  -1.4081665646   0.6108945927
C    2.3776953445   3.9301905523   0.1507561092
C    1.1027472396   4.4728226404   0.1229372523
C    4.1392768671  -0.8685896683   1.7216220050
H    2.5481889274   0.2593450138  -1.5629268692
H    0.8487625905   0.2979635540  -1.9895806687
H   -0.3662516331   0.3373328788   1.9991351250
H    3.5365382225   2.1725623442  -0.2667254815
H   -0.6661929335   2.0364888639  -1.0724060337
H   -2.7510619867  -2.5916491822  -1.1805877925
H   -2.7394729058  -0.1838938630   2.3727015439
H    3.2148026739   4.5205653549   0.4981293682
H    0.9331900976   5.4914768185   0.4531394145
H    4.1909664818  -1.9596972770   1.7208721994
H    3.8173798914  -0.5253741682   2.7074180481
H    5.1306495842  -0.4688470617   1.5154618056
*
