! 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   0.7237508715   0.9842783357   2.4648623129
Cl   3.7924197317  -2.5089714231  -0.1493829547
O   -0.7936173233   2.4674604923   0.3460379367
N   -2.4425660036  -0.7588475311   0.0453278151
N   -2.3398926151  -2.9466605368  -0.1951959224
C   -0.9720932703   1.1892276489  -0.1997085934
C   -2.1498386934   0.5575400271   0.5526986052
C    0.2612978915   0.3127959600  -0.1414642039
C    1.0562362754   0.1405209900   0.9896241234
C    0.6011603198  -0.4215083260  -1.2735500167
C   -3.0780359481  -1.0502427235  -1.1305666790
C   -2.0090452135  -1.9320744468   0.5575128712
C    0.0678451715   3.3080730226  -0.3830638841
C    2.1442611167  -0.7192768318   0.9950695076
C    1.6736040056  -1.2961160193  -1.2973242095
C    2.4401182249  -1.4332829511  -0.1535610670
C   -3.0080173576  -2.4067758234  -1.2568467866
C   -0.5680630055   3.9653497286  -1.5672728088
C   -1.8596589128   3.9628435499  -1.8698621572
H   -1.2567709769   1.2608310796  -1.2590560740
H   -1.9372327039   0.4809072124   1.6184901410
H   -3.0320300625   1.1891961128   0.4429706803
H    0.0048395051  -0.3066310721  -2.1703669643
H   -3.5267038670  -0.2903780242  -1.7493464956
H   -1.4652281247  -1.9835672086   1.4889545208
H    0.4151778627   4.0795349724   0.3111593098
H    0.9718027167   2.7763236281  -0.7084080733
H    2.7471441395  -0.8317052924   1.8856185510
H    1.9058788461  -1.8530448835  -2.1942354373
H   -3.4111662822  -3.0184068932  -2.0493416194
H    0.1289408506   4.5002300777  -2.2057429064
H   -2.2227489564   4.4811945454  -2.7477216359
H   -2.6057229333   3.4592186435  -1.2675781708
*