! 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  -6.0641979792  -2.1325042041   1.9367199418
F    2.6994259817  -2.5331560780   0.2393268330
F    2.5680159763  -0.9642698115   1.7272169344
F    0.9283128735  -2.2761492310   1.3977659345
O    4.2834260227  -0.3804792951  -0.2780175156
O   -1.9895781965  -0.2874587411  -1.8422908485
N    2.5918942683   2.7476593643   0.4219824389
N    2.6642357362   3.7838306303  -0.4158945630
N    0.7363613690   3.8334919601   0.7203506656
C    3.5121772110   0.7144525338  -0.7075048481
C    2.0482464690   0.3322793054  -0.9607858836
C    3.6008551297   1.7214422642   0.4667860520
C    4.1767864532   1.3184481538  -1.9478009789
C    1.3228914599  -0.6682601562  -0.2842964547
C    1.3451980420   1.0824488422  -1.9036351515
C   -0.0232162464  -0.8805649853  -0.5771742957
C    0.0043984367   0.8965035759  -2.1763713417
C   -0.6846193759  -0.0944250939  -1.5056849854
C    1.8979629048  -1.5992518698   0.7609391140
C    1.4348013633   2.7866020765   1.0869804525
C    1.5326358914   4.4070356566  -0.2020864106
C   -2.8949473054  -0.7215221418  -0.9142663788
C   -2.9503625787  -0.1932227019   0.3693451096
C   -3.8147356417  -1.6748516711  -1.3238372947
C   -3.9256823461  -0.6335915884   1.2494469546
C   -4.7993043847  -2.1051371940  -0.4485731856
C   -4.8436600722  -1.5864822403   0.8355402536
H    3.4873484452   1.2018913194   1.4145451748
H    4.5820089274   2.1968092157   0.4710928660
H    3.8066514390   2.3084751329  -2.2030106143
H    5.2443129036   1.4239380717  -1.7501396092
H    4.0552205842   0.6730429796  -2.8197843564
H    1.8491525321   1.8605957312  -2.4560625343
H   -0.5695935796  -1.6696603984  -0.0815733689
H    4.5006040661  -0.9227973827  -1.0442782876
H   -0.4957892086   1.5149874752  -2.9103923099
H    1.1563205112   2.0495652739   1.8244299238
H    1.2752427864   5.3144504560  -0.7262742751
H   -2.2474485601   0.5634219554   0.6944240831
H   -3.7683290165  -2.0776075660  -2.3274866049
H   -3.9679120144  -0.2237072600   2.2493112512
H   -5.5184277665  -2.8458179307  -0.7710785580
*