! 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  -1.4840165872   1.2182488395  -3.0480613855
Cl  -5.0404145469   2.9120421646   0.5616454367
F    3.8191280833   0.8829322908   0.9975938241
F    3.2258683907  -1.0006605645   1.8682152650
F    5.6861491010  -1.0450802770   0.7234317666
F    4.8348614476  -0.4528475744  -1.1999479263
O    2.3537234763  -0.3970769843  -0.0977475669
N   -0.7463280911  -2.1753566135   0.1499101825
N   -2.0668779353  -2.2808693775   0.3099425013
N   -0.9947040516  -3.2720599356   2.0067776475
C    0.1010734368   0.0137363292  -0.7003649117
C   -0.1730665934  -1.4725835331  -0.9740491631
C    1.1606437966   0.2482210833   0.3669545099
C   -1.1717002438   0.7584866766  -0.3843618822
C   -1.9595833722   1.3273179985  -1.3844196763
C   -1.6445435692   0.8705631069   0.9212554857
C    3.4393974152  -0.3774409215   0.6804840049
C   -3.1452814704   1.9908602341  -1.1100710821
C   -2.8245331196   1.5245490887   1.2298465577
C   -0.1196898636  -2.7685418685   1.1706016476
C   -3.5659476528   2.0838009150   0.2046039675
C    4.5752579435  -1.1007563152  -0.0432419774
C   -2.1688873176  -2.9426285273   1.4341444580
H    0.5133707639   0.4069444135  -1.6325137666
H   -0.8643469318  -1.5723685864  -1.8083030998
H    0.7454918565  -1.9803032833  -1.2625002301
H    1.3271275990   1.3209219546   0.4808119811
H    0.8746842456  -0.1556996407   1.3401059381
H   -1.0861081530   0.4387838520   1.7409038617
H   -3.7270779556   2.4258319362  -1.9106915236
H   -3.1551260046   1.5894282045   2.2570128318
H    0.9552074593  -2.8211683444   1.2525432253
H    4.3301351932  -2.1423773529  -0.2546616014
H   -3.1277324567  -3.2073263260   1.8524576417
*