! 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  -3.0321426926  -2.6918000356   1.9803611982
F    6.0880861628   0.3656657795  -0.8744734757
F    5.3331783865  -0.8403733949   0.7287709068
F    4.5431864043  -1.0687537672  -1.2644977504
F   -4.1317297327   2.8672506135  -0.4279475390
F   -5.5121146562   1.4991589105  -1.3417416348
F   -5.5126338217   1.7547589784   0.7937451801
O    2.4944477458  -1.7380686843   0.7021099384
N    1.1032102078  -1.0505774963  -0.9441205702
N   -1.7091535005  -0.4193561712  -0.9569624602
C   -0.7385881709  -2.4471070852  -0.0262707873
C    0.3536510176  -2.2787495579  -1.0725701554
C   -1.8060009320  -1.3943987670  -0.0616592335
C    2.5789078766   0.5472340444   0.0286665475
C    2.0703230574  -0.8649029301  -0.0394409806
C    3.9325760452   0.8773907660  -0.0818360074
C   -2.8878482518  -1.4210192151   0.8229382991
C   -3.7120859214   0.5773451383  -0.1535412571
C   -3.8528157495  -0.4350495352   0.7822214745
C    1.6542709519   1.5562607458   0.2739412496
C    4.3338803614   2.1997023327   0.0589063072
C   -2.6213899554   0.5368972535  -1.0079816212
C    4.9697507291  -0.1700113369  -0.3691464722
C    2.0601777835   2.8734993151   0.4226717877
C    3.4020855336   3.1944933123   0.3157162900
C   -4.7194106970   1.6748992696  -0.2767210640
H   -1.1987813159  -3.4296358793  -0.1667915387
H   -0.2930723484  -2.4763986649   0.9721136703
H    1.0353040161  -3.1260918652  -1.0006066615
H   -0.0710286746  -2.2996022954  -2.0746422766
H    0.7875342642  -0.2663414140  -1.4902832941
H   -4.6872679346  -0.4645483244   1.4695932246
H    0.6039151758   1.3108006885   0.3695938795
H    5.3753532408   2.4735787576  -0.0360111291
H   -2.4682603937   1.2995106272  -1.7631189233
H    1.3263303605   3.6432172408   0.6205471132
H    3.7303395741   4.2192265126   0.4242439705
*