! 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  -5.1861726758   1.4669493938  -0.1544556238
F   -1.0395296990  -2.9330939412  -0.5446261012
F   -0.6101267964  -2.1369738372   1.4069188248
F   -2.5836341761  -2.8477286177   0.9437099762
O    2.2281592845   1.5168012364   1.4224167787
N    2.5778997146  -0.6681743235  -0.4363739595
N    0.3540022258  -0.4434118166  -0.8099133484
N    4.6865726893  -1.3081864119  -0.3486160368
C    1.3248901424  -0.2002240403  -0.0415291257
C    1.2592741167   0.5230450546   1.2901568767
C    1.9808177654   2.6732995107   0.6429676851
C   -0.9351503374   0.0195016113  -0.5845758462
C    3.1242547011   3.6470160109   0.8258205916
C   -1.9166997388  -0.8093042539  -0.0276120346
C   -1.2999011087   1.2947046555  -1.0109071063
C   -3.2230593544  -0.3597135070   0.1068654194
C    2.8735816551  -1.2206374822  -1.6674870711
C    4.4644673020   3.1113709948   0.3443339721
C    3.7219330822  -0.7552157497   0.3147536873
C   -1.5422871635  -2.1819619325   0.4399660252
C   -2.5999877526   1.7460169792  -0.8781531714
C   -3.5553691768   0.9136152726  -0.3195055398
C    4.1710620005  -1.5987784442  -1.5899320362
H    1.4197334214  -0.2036805632   2.0910332199
H    0.2473291990   0.9211495605   1.4237596517
H    1.0332836578   3.1347370893   0.9503390123
H    1.8858818638   2.4171652639  -0.4221202089
H    2.8661658315   4.5522677323   0.2707420380
H    3.1883411167   3.9413532939   1.8772769235
H   -0.5543754967   1.9359392057  -1.4626280286
H   -3.9840273712  -0.9923089900   0.5417425618
H    2.1476927594  -1.2847849638  -2.4585276994
H    4.4173246465   2.8077528280  -0.7036527312
H    5.2411010058   3.8723630057   0.4301762952
H    4.7915405353   2.2479062958   0.9237198295
H    3.7868656343  -0.4082499350   1.3319929900
H   -2.8606622109   2.7406708753  -1.2133102955
H    4.7689900511  -2.0662215323  -2.3564171294
*