! 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  -1.3326785484   1.1838211120  -3.0814935275
Cl  -5.0299931136   2.8548125731   0.3951910566
F    3.8140616835   0.9224448800   1.3204185330
F    3.2289549945  -1.0689351357   1.9134776853
F    5.0123445954  -0.0983241223  -0.9474726486
F    4.4186670573  -2.1096723423  -0.3347569010
O    2.4610109596  -0.2481114981  -0.0164208712
N   -0.6626526767  -2.1252268042   0.2029635774
N   -1.9895820743  -2.2569829766   0.2530041731
N   -1.0516998398  -3.1280028729   2.0887815516
C    0.2066739550   0.0489508332  -0.6649311990
C   -0.0143280299  -1.4531302169  -0.8986768852
C    1.2319194274   0.3472854252   0.4204079239
C   -1.0933834845   0.7666028317  -0.4033386740
C   -1.8602553809   1.3070883025  -1.4341648570
C   -1.6089809722   0.8837251625   0.8855231721
C    3.4935846524  -0.2972589949   0.8250001224
C   -3.0659445129   1.9513623400  -1.2049409205
C   -2.8111080488   1.5164574094   1.1491330099
C   -0.1162665991  -2.6516888615   1.3034780699
C   -3.5300207140   2.0504982843   0.0945932533
C    4.7208204686  -0.8735371483   0.1195257535
C   -2.1770215367  -2.8635758830   1.3968185192
H    0.6327509967   0.4243867923  -1.5982842232
H   -0.6373554463  -1.5997075918  -1.7790283436
H    0.9357323528  -1.9476958370  -1.0961286160
H    1.3526880677   1.4279492139   0.5195148159
H    0.9425393197  -0.0530001270   1.3947034495
H   -1.0672452064   0.4725396716   1.7269498923
H   -3.6300018729   2.3667107556  -2.0279951065
H   -3.1755277204   1.5861336630   2.1643808464
H    0.9475365741  -2.6746008425   1.4826047264
H    5.5867179604  -0.9269284594   0.7809122729
H   -3.1631601893  -3.1282980442   1.7448523833
*