! 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  -4.6955518730   1.6864887361   0.9752902459
F   -0.8473756989  -2.6433924248  -0.7668694770
F   -2.1325920937  -1.5597521694  -2.1016447149
F   -0.0775115414  -0.9769809688  -1.8842718372
O    0.9406938185   1.6330023712  -0.1225796482
N    2.8057569905  -1.3592933312   0.7290649127
N    0.6018365068  -0.9016650886   0.9895903600
N    3.9419029650  -3.1377284885   1.3648830436
C    1.7116054541  -0.5036795104   0.5539550687
C    2.0366669551   0.7831653483  -0.1659187735
C    0.7205910434   2.4077612972  -1.2850019574
C   -0.6111788690  -0.2367368133   0.9333252312
C    1.7172994563   3.5404290512  -1.4587409341
C   -1.5299705426  -0.4945503454  -0.0902103524
C   -1.0013339446   0.5876181593   1.9877694402
C   -2.7848806295   0.1026122053  -0.0776282426
C    4.0961695662  -1.1899168834   0.2665062080
C    1.3705380086   4.3976048756  -2.6669283020
C    2.7819755447  -2.5606853629   1.3833738829
C   -1.1517561138  -1.4160870396  -1.2058108055
C   -2.2475056555   1.1799931609   2.0042691495
C   -3.1326714942   0.9403800586   0.9639243495
C    4.7718792997  -2.2932798157   0.6693568863
H    2.3285850713   0.5244002985  -1.1934506044
H    2.9177952861   1.2357969177   0.3060393133
H   -0.2893116462   2.8109666597  -1.1799026009
H    0.7198899441   1.7667525824  -2.1764633367
H    1.7257205745   4.1558213889  -0.5549675146
H    2.7281897126   3.1383389210  -1.5771444118
H   -0.3103921113   0.7694150348   2.8000423714
H   -3.4935532523  -0.0831610386  -0.8725883684
H    4.4196530015  -0.3320011770  -0.2965451597
H    0.3853208047   4.8562392760  -2.5625299735
H    2.0935460790   5.2029020785  -2.7983443403
H    1.3651988912   3.8105813325  -3.5875307362
H    1.8859736147  -2.9402042549   1.8461161695
H   -2.5245892412   1.8267327005   2.8259181787
H    5.8101017293  -2.5285436043   0.4961656348
*