! 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  -3.8969938355   3.0512759170   0.2739413003
N   -0.3139049821  -2.1011100906  -0.7105956008
N   -0.2921645895  -3.1454801915   0.1252955853
N   -2.4018336319  -2.6552899585  -0.4664689836
N    1.7286736954  -1.3360247292   2.3342017965
C    1.1572120880  -0.2350567383   0.0313191716
C    2.4047963527   0.5739674761  -0.4006174589
C    0.8747463294  -1.3481592000  -1.0086034568
C    3.7206421941  -0.1953279622  -0.4014626424
C   -0.0821769411   0.6424536006   0.1566016909
C    4.8961159503   0.7068100957  -0.7591445847
C    1.4577029620  -0.8579113152   1.3224567732
C   -0.3650672468   1.5787636515  -0.8347573542
C   -1.0076761045   0.4610123841   1.1786035107
C    6.2240758498  -0.0325384200  -0.7213892493
C   -1.5323452701   2.3238970095  -0.8034946578
C   -2.1809839223   1.1988054886   1.2237450346
C   -1.5758557783  -1.8151429909  -1.0380548475
C   -2.4339475941   2.1271264569   0.2297408781
C   -1.5605286272  -3.4402815528   0.2322609331
H    2.4867873772   1.4396633239   0.2602250428
H    2.2195716044   0.9604853144  -1.4046052882
H    1.7090023762  -2.0425896008  -1.0766649594
H    0.7503944997  -0.8787200067  -1.9840297537
H    3.6805034928  -1.0260665496  -1.1116676494
H    3.9041762150  -0.6348941740   0.5832454872
H    4.9286365234   1.5495958017  -0.0626030104
H    4.7404557900   1.1361422530  -1.7530272172
H    0.3159517858   1.7407574451  -1.6590325513
H   -0.8396410024  -0.2668689769   1.9619411154
H    6.4159776385  -0.4476716629   0.2697797863
H    7.0552136330   0.6294489379  -0.9666710980
H    6.2404693162  -0.8593796143  -1.4333438214
H   -1.7307890130   3.0471290585  -1.5820130064
H   -2.8852018856   1.0398936139   2.0281920009
H   -1.8421980687  -1.0082823754  -1.7023328095
H   -1.8947574042  -4.2675344187   0.8379518519
*