! 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   4.9838536072   3.4972449364  -0.2470035063
O   -2.1004171472  -1.5472210625   1.2101709387
N   -0.6358483125  -2.8599185715  -0.9703828861
N    0.5123370377  -2.5496253937  -1.5796500790
N    0.8200340121  -4.2671560977  -0.1708909111
C   -1.9618547875  -0.9507121342  -0.0621168278
C   -3.2453601332  -0.1270951099  -0.4055995819
C   -0.7761091031   0.0590034286  -0.1358215022
C   -2.7218753553   1.2572016528  -0.8221426907
C   -1.4208337334   1.4387977512  -0.0562357303
C   -4.3377827503  -0.0849912747   0.6808095446
C   -1.8306488240  -2.0566001437  -1.1223159712
C    0.3379867888  -0.1611530829   0.8905028269
C   -4.0122556073   0.7736743190   1.8994337704
C   -5.6530381935   0.3867084014   0.0632888124
C    1.5094159017   0.7437135604   0.6311286108
C   -0.4335126894  -3.8787791030  -0.1330384130
C    1.7300155108   1.8818503075   1.3998843763
C    2.3898440461   0.4749685361  -0.4151910106
C    2.7942856926   2.7343543079   1.1390988117
C    3.4580473370   1.3128727383  -0.6922266031
C    1.3495405362  -3.4164784122  -1.0683442509
C    3.6500534194   2.4409219486   0.0909631381
H   -3.7226627736  -0.5988788510  -1.2711909351
H   -0.3312999159  -0.0347241583  -1.1319810371
H   -3.4427964242   2.0562698973  -0.6402369883
H   -2.5134414251   1.2669563306  -1.8951704696
H   -0.7862261183   2.2178354573  -0.4810996928
H   -1.6136754033   1.7124288512   0.9844707001
H   -4.5023391306  -1.1100016481   1.0247080113
H   -1.8129614720  -1.6299214381  -2.1238482854
H   -2.6896104418  -2.7263635614  -1.0638805735
H    0.6935094108  -1.1968873519   0.8671492724
H   -0.0414248458   0.0223127568   1.8986032211
H   -1.2485017706  -1.8838276110   1.5072651438
H   -4.8146036388   0.6970015548   2.6360486826
H   -3.0894079245   0.4728254541   2.3914453671
H   -3.9248284848   1.8304053988   1.6377327268
H   -5.9560327702  -0.2464530537  -0.7727745657
H   -5.5848833744   1.4120449000  -0.3074664835
H   -6.4581804466   0.3642211730   0.8000704752
H   -1.2205174747  -4.3219833604   0.4563782363
H    1.0631890624   2.1136518758   2.2212839917
H    2.2407332548  -0.4060119268  -1.0282137582
H    2.9495376770   3.6134930374   1.7494865814
H    4.1315943313   1.0856136278  -1.5072282801
H    2.3861060086  -3.4417384223  -1.3657108694
*