! 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  -0.5940558537  -0.3127590789   2.5027156648
Cl   1.6760679421  -4.1826844961  -0.3695411470
O   -1.8215429057   1.4886941671   0.4427191669
O   -0.6481695416   1.9222275914  -1.4227116818
N    1.7480512983   2.1889267953   0.4377970869
N    2.2921431593   2.5564889029  -0.7230545771
N    3.7964718790   1.4837678259   0.5427342872
C   -0.5412502749   1.4425097829  -0.1107216301
C   -2.7706068791   1.5068367971  -0.6214414154
C   -1.9994084205   2.2706265214  -1.6853979388
C   -3.2084582413   0.1172557262  -1.0577214335
C    0.3506947937   2.3839145026   0.7194951497
C    0.0229775159   0.0216161946  -0.1448248046
C   -3.8093038149  -0.7230617161   0.0603895291
C    0.0202043661  -0.8231656421   0.9628499793
C    0.5902206404  -0.4731651200  -1.3156474810
C   -4.2339387397  -2.1006036686  -0.4235017523
C    0.5209993636  -2.1151522670   0.9044730537
C    1.1040099324  -1.7554748603  -1.4020327328
C    2.6527607987   1.5440758514   1.1788177694
C    1.0559546006  -2.5716580115  -0.2863903107
C    3.5193840001   2.1161649167  -0.6141767719
H   -3.6348268219   2.0715026891  -0.2642702490
H   -2.2528619520   1.9734075909  -2.7040056826
H   -2.1430204792   3.3517588560  -1.5932356846
H   -2.3730425661  -0.4206809442  -1.5179262656
H   -3.9520299462   0.2514950430  -1.8503860262
H    0.2013828057   2.2120341396   1.7832247870
H    0.0791659844   3.4188437732   0.5098233134
H   -4.6721048090  -0.2010211161   0.4858272126
H   -3.0875767583  -0.8325436007   0.8726761092
H    0.6285643920   0.1527894580  -2.1949134167
H   -4.9798252204  -2.0353346056  -1.2182142243
H   -3.3838370687  -2.6617465404  -0.8172676937
H   -4.6679619603  -2.6908965673   0.3848068777
H    0.4937141899  -2.7506024868   1.7787381256
H    1.5315305379  -2.1064448805  -2.3308914299
H    2.4366172278   1.1513850611   2.1605127700
H    4.2464178099   2.2604040806  -1.3983860130
*