! 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   2.3767244901   3.6593454145  -1.8172858478
Cl   0.4648670442   4.6708228062   0.4718914797
F    5.0582099407  -3.0267254857  -0.0032681280
F   -2.1188980042  -0.8720447599   2.6272078941
F   -2.5510193230  -2.8745393185   1.8846585514
O   -0.4147138433  -0.6035265539  -1.7240729856
N   -0.3220863076  -1.8843276442   0.1342813423
N   -4.4290714358  -0.1329417408  -0.9141569558
N   -4.4814011276  -0.6073147147   0.3214884935
C    1.9989612605  -1.1053313659   0.1135579973
C    1.0602867143  -2.1436270123   0.0829188480
C   -2.4035796001  -0.8529248454  -0.5105580229
C    1.6023859879   0.3147413368   0.2088215091
C   -3.2709167837  -1.0492670149   0.5912653538
C   -0.9733512501  -1.0998262624  -0.7610794483
C   -3.2130201480  -0.2507391345  -1.4527013209
C    3.3538765523  -1.4227909220   0.0647421333
C    1.4890290207  -3.4644141968   0.0328093890
C    2.0933356402   1.2239026013  -0.7204938114
C    0.7594389129   0.7706623332   1.2184994555
C    3.7474642420  -2.7438947335   0.0213995235
C    2.8373074688  -3.7797764162   0.0143133040
C   -3.0491744386  -1.5993982102   1.9508915998
C   -5.6018719945   0.4464385664  -1.5305971346
C    1.7511347746   2.5634657326  -0.6448141729
C    0.4121818295   2.1076420311   1.2933401282
C    0.9046271550   3.0099930830   0.3626615187
H   -0.8615391153  -2.4675399535   0.7535486787
H   -2.9915869906   0.0884895455  -2.4519206520
H    4.0995818641  -0.6384465064   0.0961719366
H    0.7563323657  -4.2606236641  -0.0009822517
H    2.7358773764   0.8858829514  -1.5228436444
H    0.3748370760   0.0862852029   1.9615017869
H   -3.9712907435  -1.6247534216   2.5309786108
H    3.1682996535  -4.8091343295  -0.0197423263
H   -5.8764106251  -0.1100321917  -2.4240818034
H   -6.4198156738   0.4040672899  -0.8186882479
H   -5.4139666992   1.4844380966  -1.7966246062
H   -0.2402103687   2.4548481543   2.0829557734
*