! 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  -3.2603556927  -2.4627232893   2.2615515540
F    4.9769065472   0.6830169578  -2.1395781546
F    4.2243580559  -1.0755395059  -1.1669000806
F    2.8896374184   0.2067883442  -2.2681159650
F   -4.2332805395   1.7530194823  -2.2440593269
F   -5.7108427362   0.9955407392  -0.8733079942
F   -4.3504544733   2.5353459739  -0.2453455016
O    2.8494449519  -1.7573568246   1.7197029755
N    1.4286754513  -1.1550191554   0.0606801231
N   -1.3206028534  -0.6101278905  -0.6260433290
C   -0.5697762369  -2.4258529457   0.8036288393
C    0.7035725081  -2.4013278180  -0.0282166381
C   -1.6122715580  -1.4402796339   0.3662168633
C    2.9911809034   0.4594130690   0.8858613899
C    2.4299875359  -0.9354158851   0.9191397081
C    3.6895504880   1.0034936607  -0.1947652546
C   -2.8712512477  -1.3858722456   0.9722968877
C   -3.4782408471   0.3750309253  -0.4987227076
C   -3.8147822088  -0.4761887069   0.5441406737
C    2.8185261424   1.2224945173   2.0348945547
C    4.1649602526   2.3083565811  -0.1251042035
C   -2.2132351528   0.2704242311  -1.0514647871
C    3.9452701676   0.2043099499  -1.4392457306
C    3.2895283006   2.5238489599   2.0983828030
C    3.9571407171   3.0694830927   1.0136858927
C   -4.4451170692   1.4128798845  -0.9704867054
H   -0.9905812849  -3.4344804433   0.7578532863
H   -0.3286664029  -2.2569241167   1.8574942441
H    1.3537046187  -3.2080132934   0.3049968405
H    0.4762341394  -2.5904976165  -1.0772709752
H    1.0460379607  -0.3813158541  -0.4596999695
H   -4.7878573720  -0.4411856059   1.0160942224
H    2.2977863583   0.7987114561   2.8839429757
H    4.7083747757   2.7437466934  -0.9522093222
H   -1.8961225752   0.9107098326  -1.8654245537
H    3.1361830069   3.1086399806   2.9954865093
H    4.3285344179   4.0844607400   1.0532139800
*