! 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   5.5040349063   0.9036328123  -0.0513653225
O   -1.1432829858   0.5015241981   1.1939868875
N   -0.3165649219  -2.0640873476  -0.0433045596
N   -0.1433585844  -2.1905504270   1.2762998360
N   -0.5855129292  -4.1843092256   0.3560540961
C   -1.3371006653   0.2217927421  -0.1749097877
C   -2.7968559883  -0.2043194977  -0.4731977566
C   -1.1820955117   1.5432443411  -0.9838086526
C   -3.5392916041   1.1305384395  -0.4619433721
C   -2.6136161141   2.0765820641  -1.2171187205
C   -3.4554663510  -1.3130004249   0.3741380476
C   -0.2829062119  -0.7695897069  -0.6889813457
C   -0.2690161890   2.6019887088  -0.3550180788
C   -4.0022179060  -0.8508032704   1.7229262222
C   -4.5753329351  -1.9695908426  -0.4307206242
C    1.1760170524   2.2001915281  -0.2539519692
C   -0.5873529295  -3.2537946499  -0.5721940693
C    1.7480070280   1.7984091803   0.9498536121
C    1.9802634338   2.1992441005  -1.3923432842
C    3.0750990099   1.4005747036   1.0219085979
C    3.3081700863   1.8036559439  -1.3430702684
C   -0.3146520020  -3.4767545788   1.4648219767
C    3.8439776382   1.4016356807  -0.1300096086
H   -2.7894765235  -0.5603319660  -1.5131502724
H   -0.7524834729   1.2835396842  -1.9564247404
H   -3.6716509822   1.4784214186   0.5644362009
H   -4.5335331107   1.0662809519  -0.9070566352
H   -2.8443109343   2.0670059263  -2.2834754267
H   -2.7218039412   3.1094995561  -0.8816370378
H   -2.7223680081  -2.0958734285   0.5806375121
H    0.7169167430  -0.3543599402  -0.5589190177
H   -0.4276395494  -0.9458384568  -1.7534321983
H   -0.6507629534   2.8955383263   0.6237508045
H   -0.3367581218   3.4917078743  -0.9877791005
H   -0.9378590821  -0.3243389170   1.6546237320
H   -3.2480331414  -0.3654494308   2.3399399931
H   -4.8339874772  -0.1536466079   1.6051441952
H   -4.3815782872  -1.7079745898   2.2829407373
H   -5.3485265438  -1.2472194988  -0.7019809378
H   -5.0578223336  -2.7636458364   0.1422157579
H   -4.1980829611  -2.4128061625  -1.3541891488
H   -0.7677250634  -3.3979659704  -1.6255806850
H    1.1508628584   1.7884651765   1.8511445201
H    1.5662199276   2.5153748933  -2.3425323150
H    3.4996218930   1.0923763644   1.9677636052
H    3.9139869898   1.8125673148  -2.2388951088
H   -0.2389628685  -3.9177744276   2.4460761185
*