! 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   3.7752455967  -2.9303877933   2.3177341009
N   -3.3401665463   0.5381300065   0.3094294851
N   -3.7428820276  -0.6533782150   0.7617482187
N   -4.3858107963   0.9768654250   2.1638097153
N   -0.5576820968  -1.7005471119   0.4664020523
C   -1.0216570376   0.6078665855  -0.6708193964
C   -0.5670438794   1.7564701622   0.2603025876
C   -2.5582087516   0.6726183840  -0.8923243858
C   -0.3761597149   0.6913053410  -2.0494937765
C    0.9412842215   1.9927796417   0.3447213217
C    1.7056131860   0.8015255114   0.8461109122
C   -0.7268508348  -0.6828834838  -0.0437351183
C   -0.4523507647   1.8915481522  -2.7544276412
C    0.2584013048  -0.3938837417  -2.6431264335
C    1.5864088732   0.3952172787   2.1731295556
C    2.5044031418   0.0477362558  -0.0065473260
C    0.0997267417   2.0035671065  -4.0210618643
C    0.8128082192  -0.2811364382  -3.9116288444
C   -3.7283377461   1.4947143078   1.1573438381
C    0.7366847132   0.9165617305  -4.6048278230
C    2.2191502626  -0.7460795416   2.6345187250
C    3.1467420942  -1.0994383356   0.4359412881
C   -4.3623561478  -0.3371753436   1.8676565930
C    2.9883831417  -1.4912265836   1.7536274951
H   -0.9598897420   1.5762083142   1.2634081828
H   -1.0390217487   2.6773011612  -0.0892636990
H   -2.7994167762   1.6326469351  -1.3455928637
H   -2.8675984976  -0.1063056718  -1.5856421916
H    1.0912977761   2.8402835894   1.0171546995
H    1.3266709395   2.3006055633  -0.6282880640
H   -0.9379768880   2.7570455737  -2.3206288281
H    0.3358019414  -1.3402467286  -2.1238002434
H    0.9815224373   0.9727579201   2.8623353478
H    2.6246324110   0.3499134326  -1.0394286494
H    0.0324232710   2.9445501337  -4.5505829395
H    1.3059906908  -1.1364682349  -4.3540472652
H   -3.5257900406   2.5416837426   0.9952234198
H    1.1705464222   1.0041480959  -5.5919963081
H    2.1130481817  -1.0499900566   3.6670526158
H    3.7591120099  -1.6773744356  -0.2428092662
H   -4.8256654905  -1.0884461635   2.4874831448
*