! 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  -2.6919273031  -3.2170177438   0.9126909421
F    4.3201141550  -1.2159333739   0.0712789773
F    5.2697847934   0.3129209334   1.2410421238
F    3.3461667557  -0.4368732604   1.8262004235
F   -3.7056339706   2.9265574991   0.0308387027
F   -5.2363811814   1.5363037443   0.6292296891
F   -3.6504794345   2.0330584196   1.9878856345
O    2.1495162451  -1.2804219701  -2.3676466600
N    1.2677374908  -1.3595720446  -0.2898719300
N   -1.4570695594  -0.1913970375  -1.3066387487
C   -0.6890834369  -2.4734315505  -1.3342265681
C    0.5734660795  -2.6137648109  -0.4725529331
C   -1.5942097651  -1.4107546209  -0.7986437575
C    2.4274798101   0.6276698623  -0.9905615269
C    1.9542328507  -0.7699512850  -1.2766053325
C    3.4234415716   0.9596362614  -0.0702205971
C   -2.5107363919  -1.6408095571   0.2315933241
C   -3.1137958078   0.6545145830   0.1719782369
C   -3.2815737417  -0.6079901709   0.7225214879
C    1.8447661807   1.6334596753  -1.7541340861
C    3.8019670705   2.2879521010   0.0909382016
C   -2.1852218572   0.8124775282  -0.8433380827
C    4.0911236953  -0.0939148185   0.7632297242
C    2.2235120853   2.9555374228  -1.5891721489
C    3.2014203125   3.2829358589  -0.6633493574
C   -3.9246597410   1.7935828957   0.6990712519
H   -0.4084819969  -2.2060319619  -2.3521731984
H   -1.1875904267  -3.4422843032  -1.3765025019
H    0.3221112562  -2.9922087917   0.5170891925
H    1.2399164255  -3.3433713296  -0.9319275820
H    1.0557880161  -0.8247244551   0.5368297803
H   -3.9928493405  -0.7902542621   1.5179353561
H    1.0791269929   1.3787374727  -2.4758377762
H    4.5743869335   2.5603152648   0.7967397107
H   -2.0136907398   1.7751081468  -1.3083065927
H    1.7547839918   3.7275290657  -2.1848828806
H    3.5061355797   4.3119877863  -0.5298286469
*