! 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  -5.0788085139   1.5901461042  -0.2534368842
F   -0.3762492368  -1.6906345060   1.6270766088
F   -2.4075549308  -2.3884633631   1.6538236835
F   -1.1003498497  -2.9623897375   0.0506247516
O    2.2948058738   1.7715213733   0.0169218585
N    2.5397241186  -0.9306072318  -0.9061720787
N    0.2883506904  -0.7120442299  -1.0676432312
N    4.6650630751  -1.5162181279  -0.9498402785
C    1.3512615848  -0.3115851168  -0.5195428722
C    1.4690050261   0.7628057274   0.5306752951
C    2.3760901935   2.9263238558   0.8341222675
C   -0.9526336189  -0.1402596690  -0.8160278879
C    3.1778351150   2.7348134098   2.1107231407
C   -1.8575449661  -0.7329855838   0.0723037107
C   -1.3514148991   0.9900918425  -1.5249687198
C   -3.1256712856  -0.1959536829   0.2458919095
C    2.6665418026  -1.8745795442  -1.9058464988
C    3.3030784499   4.0458188031   2.8733974651
C    3.7886187275  -0.7608541772  -0.3689125389
C   -1.4407708613  -1.9448720264   0.8474823510
C   -2.6148608855   1.5263868889  -1.3560598154
C   -3.4953597663   0.9286341202  -0.4698903494
C    3.9772962191  -2.2141037566  -1.9145261363
H    1.8635324858   0.3150654280   1.4522713912
H    0.4705773409   1.1448426421   0.7708283091
H    1.3673059639   3.2895334332   1.0747307568
H    2.8511672679   3.6879754155   0.2119413562
H    2.7061496472   1.9886079696   2.7561357929
H    4.1729434185   2.3567920833   1.8601145411
H   -0.6655398319   1.4464212222  -2.2262889925
H   -3.8279101462  -0.6449706911   0.9339858305
H    1.8306646991  -2.2009166680  -2.4987285690
H    3.8065685383   4.8090191313   2.2771039664
H    2.3256820243   4.4401261903   3.1578325671
H    3.8796894878   3.9126316691   3.7887831263
H    3.9919674465  -0.0787304006   0.4394001298
H   -2.9039837772   2.4064713697  -1.9141969892
H    4.4700783249  -2.9230240176  -2.5610477401
*