! 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   6.8589011198  -0.0501452524   0.0478414700
O   -1.6072883451  -0.1142712129  -1.6870807047
N   -3.3377316570   1.4006994998   0.1017983309
N   -3.9486430978   1.7061200333  -1.0445892956
N   -5.4565460460   1.4451710002   0.5968158251
C   -1.3615720472  -0.0926265382  -0.2995876023
C   -1.9685094484  -1.2913978874   0.5239882510
C    0.1598549396  -0.1689296661  -0.0133270050
C   -0.7810320744  -1.8725634973   1.3138206639
C    0.2433070492  -0.7508615392   1.3866445154
C   -2.7431645960  -2.3508965620  -0.2734005159
C   -1.9042259669   1.2514033169   0.1991915224
C    0.9588520699   1.1100660652  -0.2639193706
C   -3.0573387112  -3.5588953921   0.6083730338
C   -4.0516968599  -1.8200359822  -0.8521671945
C    2.4373809034   0.8543739406  -0.1924426594
C   -4.2475434396   1.2468590523   1.0647355689
C    3.1514203367   1.0833759366   0.9801129411
C    3.1228560349   0.3378634882  -1.2895888431
C    4.5087046615   0.8081712260   1.0649465379
C    4.4792626387   0.0568975305  -1.2265261073
C   -5.2101980160   1.7153775722  -0.6983135289
C    5.1616949121   0.2950897417  -0.0437337217
H   -2.6746837242  -0.8854353599   1.2577455213
H    0.5479156307  -0.9377322481  -0.6971602712
H   -0.3405077150  -2.7130118951   0.7681256986
H   -1.0796026310  -2.2494150566   2.2919792290
H   -0.0377109879  -0.0046589277   2.1377109313
H    1.2421859077  -1.1049179103   1.6434092492
H   -2.1103647693  -2.7082032160  -1.0964912674
H   -1.4571135265   2.0763396699  -0.3547511467
H   -1.6414017326   1.3863329493   1.2479041095
H    0.6921176474   1.8756325168   0.4684353193
H    0.7062359096   1.5087491908  -1.2502379313
H   -1.2601359867  -0.9369583895  -2.0485969179
H   -3.6332821480  -4.2995443339   0.0507414298
H   -2.1619349822  -4.0594686145   0.9764962159
H   -3.6550374352  -3.2658905011   1.4754415401
H   -4.5669395455  -2.6015582281  -1.4144466735
H   -3.9062667086  -0.9755600308  -1.5204462805
H   -4.7243160308  -1.5023772623  -0.0510740016
H   -3.9883002560   1.0205567968   2.0871722020
H    2.6437929008   1.4861280451   1.8481035892
H    2.5931096486   0.1524724871  -2.2164463361
H    5.0458584891   0.9948632768   1.9848593063
H    4.9947658396  -0.3399676864  -2.0905508558
H   -5.9885069444   1.9378789336  -1.4114165798
*