! 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   6.8548237416  -0.0815492898  -0.0047493180
O   -1.6115246048   0.0687837171  -1.6633823871
N   -3.3410253208   1.3926785310   0.2243413016
N   -4.1675112236   1.0828899064   1.2286792726
N   -5.3360873185   1.7519456987  -0.5648334520
C   -1.3605874206  -0.0456150034  -0.2799429246
C   -1.9723688805  -1.3141034473   0.4266234769
C    0.1599922938  -0.1493280582  -0.0035899759
C   -0.7883403457  -1.9572884268   1.1740055461
C    0.2387994633  -0.8487296537   1.3421262787
C   -2.7224872324  -2.3124363043  -0.4697272314
C   -1.9068369435   1.2493463359   0.3305565319
C    0.9610200732   1.1459642791  -0.1393896928
C   -3.0551665570  -3.5797038888   0.3182937826
C   -4.0192835382  -1.7512428723  -1.0487549258
C    2.4391652122   0.8787491840  -0.1067085817
C   -4.0518863435   1.7810540354  -0.8332337770
C    3.1093913009   0.4676724111  -1.2566346756
C    3.1672495581   0.9879031707   1.0743627411
C    4.4636431931   0.1712540645  -1.2365283240
C    4.5230826264   0.6952665857   1.1165416745
C   -5.3452226680   1.3106216610   0.7053200706
C    5.1600804404   0.2868612856  -0.0436541938
H   -2.6928130587  -0.9726917721   1.1768627163
H    0.5483323183  -0.8546359005  -0.7521395013
H   -0.3475696618  -2.7506601172   0.5623337901
H   -1.0901409464  -2.4121443251   2.1169491924
H   -0.0423094229  -0.1669912467   2.1513400280
H    1.2359269303  -1.2257596956   1.5709431459
H   -2.0650379245  -2.6122359584  -1.2977681129
H   -1.4607241021   2.1136845699  -0.1624119861
H   -1.6557296472   1.3119976768   1.3877276140
H    0.7020685057   1.8400387813   0.6634045685
H    0.7034034299   1.6356158083  -1.0825083470
H   -1.3541574563  -0.7527471934  -2.0956645204
H   -3.6097135725  -4.2837915695  -0.3040800946
H   -2.1678758985  -4.0995551653   0.6783342627
H   -3.6794936719  -3.3473234721   1.1850731649
H   -4.5269156502  -2.5085068756  -1.6496434823
H   -3.8607429692  -0.8848078810  -1.6855884203
H   -4.7050439901  -1.4595503045  -0.2492925652
H   -3.6016611642   2.0935066720  -1.7610332203
H    2.5686544464   0.3789179611  -2.1914033621
H    2.6735796879   1.3082803031   1.9836587458
H    4.9663100051  -0.1428580793  -2.1411461912
H    5.0713947946   0.7873540017   2.0441460504
H   -6.2506929575   1.1611353514   1.2724077437
*