! 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  -5.0046642004   1.0470754835  -2.3457900029
O    2.0136929757   1.5356531422  -0.5491441414
O    1.9167624004  -1.3288646120   2.4411765131
N    1.9550257648  -0.5545115666   0.3066641514
N    1.7501916882  -2.8455673867   0.7588202675
N    0.7435317465  -4.6921917655   0.1115233197
C    1.8985529020   0.8872068530   0.6945598471
C    2.2270297272  -0.6890598998  -1.1474289527
C    2.7776893187   0.7144394535  -1.3934565578
C    0.5287997234   1.2327534158   1.2761130145
C    3.0608481141   1.2939574020   1.5954166288
C    3.2810756118  -1.7244638918  -1.5101992371
C    0.9493152142  -0.8934928607  -1.9566567233
C    0.2737008633   2.7275217762   1.4346214458
C    1.8890075952  -1.5061431071   1.2417442685
C   -1.1698714912   3.0281004920   1.8551305937
C   -2.1725494967   2.5616166874   0.8370605552
C    2.6356147548  -3.8693802083   0.9874031064
C    0.6188498229  -3.4047503932   0.2512196997
C   -2.3327623006   3.2473514657  -0.3653481407
C   -2.9205368419   1.4049073191   1.0353327992
C    2.0015884357  -4.9937736433   0.5576142149
C   -3.2009852553   2.7931821421  -1.3456392232
C   -3.7950516940   0.9325615417   0.0668940125
C   -3.9238107698   1.6314729235  -1.1212764034
H    3.8479090485   0.7649795806  -1.1542694327
H    2.6456523421   1.0413652288  -2.4245305866
H    0.4153505316   0.7430237183   2.2449186596
H   -0.2266661050   0.8007308752   0.6144797616
H    4.0187033399   0.9633295395   1.1908496755
H    2.9640171365   0.8904724876   2.5993736712
H    3.0930256955   2.3808276160   1.6742132286
H    2.8977223335  -2.7427286669  -1.5250162766
H    4.1409005428  -1.6828775725  -0.8404324312
H    3.6421616033  -1.5105871157  -2.5179947465
H    0.5153861206  -1.8783905080  -1.7962037332
H    0.1923925883  -0.1455207289  -1.7192838396
H    1.1720173113  -0.8148887063  -3.0216563100
H    0.9428107889   3.1492301307   2.1884841298
H    0.4847033302   3.2514871643   0.4995779331
H   -1.2691144014   4.1058997673   2.0049931029
H   -1.3766062736   2.5593501141   2.8205712133
H    3.6180827364  -3.7038176102   1.3967556630
H   -0.2662191067  -2.8249585036   0.0409941824
H   -1.7695672630   4.1552265193  -0.5477624915
H   -2.8185874830   0.8520067528   1.9615297407
H    2.3838175218  -6.0023990614   0.5432477174
H   -3.3102992377   3.3394915684  -2.2730484483
H   -4.3630424112   0.0283978788   0.2404928342
*