! 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  -5.3312499507   1.4128375041  -2.0657132426
O    1.5519886440   1.4678284913  -0.1999786086
O    2.1208202758  -1.6587597746   2.4396786682
N    1.7905098894  -0.6948970960   0.4097365630
N    1.9901326027  -3.0229122978   0.6356434633
N    2.7144249186  -5.0541280134   0.2012485469
C    1.5858284158   0.6801696378   0.9651898329
C    1.9823288657  -0.6330237692  -1.0638743076
C    2.3550620588   0.8443776642  -1.1675024030
C    0.2298212852   0.7618171031   1.6646636732
C    2.7466289038   1.1369663727   1.8477817367
C    3.1214882276  -1.4856397360  -1.6026404171
C    0.6892313253  -0.8945356274  -1.8313394900
C   -0.1736434043   2.1247568189   2.2243616621
C    1.9751763785  -1.7292468856   1.2370707464
C   -0.5946110249   3.1947677366   1.2095142219
C   -1.7712109472   2.7754914223   0.3725041293
C    0.9582189913  -3.6745046313   0.0054743438
C    3.0133546222  -3.9110209517   0.7457873180
C   -3.0527195873   2.7528016803   0.9206782379
C   -1.6217361478   2.3694170875  -0.9507221616
C    1.4310044301  -4.9236377428  -0.2548892152
C   -4.1504484737   2.3375444859   0.1828803361
C   -2.7076513996   1.9517293240  -1.7078248505
C   -3.9663909003   1.9364280420  -1.1312601361
H    3.4250868632   0.9946411538  -0.9719083064
H    2.1274252776   1.2659829100  -2.1463718554
H    0.2452687651   0.0580858893   2.4981566083
H   -0.5357186269   0.4010439792   0.9723123610
H    3.7127647106   0.8774522288   1.4123356853
H    2.7049163744   0.7126408894   2.8466858120
H    2.7133060627   2.2224035714   1.9448394083
H    3.3870420594  -1.1131948555  -2.5939849911
H    2.8549913124  -2.5336039001  -1.7266683440
H    4.0152443356  -1.4170529817  -0.9814546493
H    0.8349831660  -0.6555498788  -2.8859018752
H    0.3874960380  -1.9382144785  -1.7837501585
H   -0.1360603565  -0.2848801868  -1.4621730211
H   -1.0146025734   1.9534228233   2.9020251403
H    0.6236127187   2.5290104730   2.8529427625
H    0.2411433210   3.4692606595   0.5669893078
H   -0.8586304459   4.0953658498   1.7702413639
H   -0.0079997571  -3.2259333309  -0.1448484046
H    3.9513840416  -3.6494745384   1.2107427411
H   -3.2058693681   3.0698927417   1.9458169470
H   -0.6402748897   2.3751225663  -1.4060028169
H    0.9096429330  -5.7369272027  -0.7349794178
H   -5.1360424072   2.3312994319   0.6288733384
H   -2.5669877499   1.6422873817  -2.7349345799
*