! 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   2.1298381975  -0.5549351120  -2.1014349613
Cl   1.1499153034  -5.4569773491  -0.2645546043
O   -0.8832765318   0.7317097924   1.0021029422
O   -0.0911108634   1.0979196141  -1.0664347124
N    1.2328714170   2.5957882965   0.9193173411
N    0.7750185392   3.1070765343   2.0648181407
N    0.9601299968   4.7089704339   0.5129377171
C    0.2095922866   0.5033058089   0.1598737354
C   -1.8939867329   1.4578763358   0.3057601426
C   -1.4966228859   1.2389348443  -1.1437564301
C   -3.2706299818   0.9491936519   0.6746633315
C    1.4507024825   1.1832229231   0.7550395555
C    0.4510729483  -0.9978715787   0.0192459824
C   -4.3725246680   1.7559017113  -0.0044568753
C    1.2909274369  -1.5433468420  -0.9513474348
C   -0.1552505886  -1.8843591482   0.9043850920
C   -5.7638070791   1.2840976751   0.3864107053
C    1.5094882303  -2.9097292338  -1.0464629661
C    0.0461027454  -3.2523296378   0.8331482406
C    1.3298490735   3.5602884893   0.0008211224
C    0.8801394026  -3.7542712515  -0.1495534715
C    0.6298388808   4.3740992746   1.7764706019
H   -1.8148380004   2.5210891508   0.5683414783
H   -1.9640690908   0.3377256991  -1.5609525924
H   -1.7229591954   2.0823884011  -1.7941359182
H   -3.3956467649   1.0081659008   1.7595446119
H   -3.3542397002  -0.1076362528   0.4006699556
H    2.3228021964   1.0310042659   0.1220255877
H    1.6727344021   0.7560625696   1.7315401949
H   -4.2657849947   1.6954936481  -1.0919086578
H   -4.2594553062   2.8129389048   0.2541016888
H   -0.8080218203  -1.5040892229   1.6766060446
H   -5.9205856936   1.3577616822   1.4642128850
H   -6.5354512882   1.8826743563  -0.0992340003
H   -5.9266935831   0.2435011403   0.0998181045
H    2.1634920411  -3.3044098229  -1.8114418925
H   -0.4444902467  -3.9098046135   1.5370422828
H    1.6775192787   3.3838481590  -1.0041357404
H    0.2791982396   5.0870517600   2.5062261146
*