! 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 "WATER"
end
*xyz 0 1
Cl  -0.4602218376   0.4383878868  -2.2266558218
F    5.1828111671  -0.7352509350  -0.2870253267
O   -0.3088286730   0.0100351170   2.3150343807
N   -1.7921087140  -3.4236827900   0.5385521517
N   -3.3241259545  -1.8691731824  -0.3661717173
C   -0.2798161380  -0.0014792224   0.9022152789
C    1.1857921507  -0.2496140508   0.5441522231
C   -0.6656320118   1.3738754150   0.3384325721
C   -1.2270991781  -1.1077519438   0.4677142708
C    2.1500266383   0.5258275008   1.1885464269
C    1.6076826396  -1.1846875334  -0.3923073825
C   -0.7352432289   1.6611274853  -1.0268450357
C   -0.9034862649   2.4319027250   1.2133339005
C   -0.9555103813  -2.4298592066   0.8007644829
C   -2.4687697410  -0.8867864258  -0.1048612230
C    3.4982736694   0.3690945279   0.9165023678
C    2.9556655341  -1.3567687384  -0.6790569114
C   -1.0361380243   2.9306431752  -1.4964937013
C   -1.2040357642   3.7070278960   0.7588701153
C    3.8780251262  -0.5763469271  -0.0167436266
C   -1.2716661505   3.9600612062  -0.6004991043
C   -2.9342540073  -3.0902989284  -0.0442326285
H    1.8593356595   1.2743474199   1.9135444391
H    0.8975820898  -1.8006490921  -0.9252365151
H   -0.8439643182   2.2681550251   2.2794950565
H   -1.2249445106   0.0855506131   2.6110034079
H   -0.0336459957  -2.7017494462   1.3020929971
H   -2.8087849561   0.1123674953  -0.3492784844
H    4.2386582451   0.9738757363   1.4227982853
H    3.2732541268  -2.0885982410  -1.4095718184
H   -1.0842197432   3.1123564435  -2.5614076550
H   -1.3815219439   4.4991703661   1.4733103835
H   -1.5048398510   4.9492056241  -0.9701462556
H   -3.6204803044  -3.8972471198  -0.2683484123
*