! 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
F   -3.3977340200  -0.9601128816  -1.0923009375
F   -2.5091847630  -1.7122324801   0.7139648852
F   -3.9485773008  -0.1187914585   0.8055150944
O    1.8651683750  -1.5654082926   0.4081313877
N    1.8888960857   0.6482867385  -0.1291641216
N    3.8535669626  -0.5303599958   0.0505719833
C    0.5296347764   0.9391247069  -0.1588590965
C   -1.8175296693   0.4202254972  -0.0370020561
C   -0.4929614699   0.0054118532   0.0181941681
C    0.1842701956   2.2738762613  -0.3926760914
C   -2.1589745278   1.7448057237  -0.2720662434
C    2.5015247473  -0.5549963727   0.1300524026
C   -1.1390027294   2.6665561101  -0.4487205713
C   -2.9118014158  -0.5932686805   0.1037469559
C    4.6197399800  -1.7187082176   0.3558257648
C    4.6057962725   0.6543370752  -0.3090600819
H   -0.2518778181  -1.0282955529   0.1989460025
H    2.4749941919   1.4497208173  -0.2976825257
H    0.9631283246   3.0145515616  -0.5323074310
H   -3.1898554840   2.0685435477  -0.3178219256
H   -1.3765764553   3.7058877778  -0.6313896858
H    3.9648445234  -2.5341718157   0.6437037568
H    5.3102420897  -1.5294535035   1.1800413562
H    5.2011748734  -2.0381536048  -0.5112558024
H    4.3155167310   1.0503446010  -1.2846933415
H    5.6585904518   0.3930211636  -0.3780188426
H    4.5219314797   1.4484532177   0.4377849459
*