! 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  -1.7502217208   0.6747389243  -2.9483659557
Cl  -3.0648781210   3.2641370201   1.5389415978
F    3.2961787362  -0.8870490529   1.3914993564
F    4.2462036011  -1.0208297328  -0.5425773968
F    3.0385831502   1.8215360424   1.1211381227
F    3.9717127979   1.7208151468  -0.8524886332
O    2.1548736070  -0.2508852991  -0.4231123957
N   -1.5066821247  -2.6912266116  -0.1823306131
N   -0.8714934919  -3.2274504349   0.8616953090
N   -3.0261980817  -2.8797555133   1.3547624913
C    0.0842418864  -1.0834403107  -1.2209042470
C   -0.8103030133  -2.3230710425  -1.3903952170
C    1.3900754499  -1.4567461652  -0.5372509187
C   -0.6739763305   0.0270321625  -0.5351439864
C   -1.5445821598   0.8604876555  -1.2351684534
C   -0.5865220432   0.2306290206   0.8401364558
C    3.3449571083  -0.2945758580   0.1706488018
C   -2.2846769484   1.8561528377  -0.6159869425
C   -1.3139341298   1.2115450808   1.4905062737
C   -2.7875885394  -2.4816698768   0.1283104682
C   -2.1564909689   2.0231268957   0.7510217077
C    3.8994258295   1.1169611660   0.3541326351
C   -1.8213247864  -3.3247487853   1.7580768544
H    0.3418164546  -0.7671794847  -2.2345873849
H   -1.5654960480  -2.1299723065  -2.1499079193
H   -0.2232238916  -3.1754406884  -1.7336354570
H    1.2292568219  -1.9088795005   0.4420784500
H    1.9148034620  -2.1847996543  -1.1606286224
H    0.0609192708  -0.3926480211   1.4411907952
H   -2.9470400208   2.4867861093  -1.1926175455
H   -1.2178812480   1.3383725816   2.5597331535
H   -3.4980937012  -2.0529134243  -0.5613765662
H    4.8858156571   1.1117970290   0.8205083603
H   -1.6376986904  -3.7343898425   2.7392581015
*