! 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   4.3205289600  -1.5701563867   0.1867862049
O   -1.9158473735   0.3593066203  -1.2992349364
N   -0.6073264531   2.4774870548   0.3378499554
N   -0.5533019460   2.8511195954  -0.9455394109
N    1.2091175441   3.6600563672   0.1736948752
C   -2.0446245988  -2.2677011304   0.1244319141
C   -3.0505861282  -3.3779205956   0.0559253297
C   -2.5511128444  -2.7347300084  -1.2021750432
C   -2.3537426901  -0.8918267128   0.6888306514
C   -1.4609530963   0.1861571103   0.0207672281
C   -3.8349484027  -0.5316766991   0.6358720242
C   -1.5929413653   1.5222043892   0.7884241830
C    0.0000972945  -0.2499094988   0.0531655317
C    0.6702704475  -0.3909041499   1.2675848639
C    0.6967086002  -0.5281911861  -1.1159298696
C    1.9935586112  -0.7963963607   1.3197340226
C    2.0238303103  -0.9343124047  -1.0835626699
C    0.4556755523   2.9504893586   0.9822437918
C    2.6629667620  -1.0644346263   0.1362205308
C    0.5479525180   3.5587222472  -0.9908947593
H   -1.0416932962  -2.6060247688   0.3608343077
H   -4.0752760405  -3.1856540859   0.3480937083
H   -2.7076956241  -4.3764950879   0.2969669123
H   -1.8716962901  -3.2900499760  -1.8368117234
H   -3.2390885018  -2.0993625265  -1.7448925350
H   -2.0671262261  -0.9149229781   1.7462822365
H   -4.2388729021  -0.5597070350  -0.3758169036
H   -4.0278924238   0.4633214697   1.0363002308
H   -4.4147232048  -1.2237123200   1.2458697187
H   -1.4515414782   1.3886120700   1.8595418040
H   -2.5836087222   1.9499550153   0.6415384971
H   -1.5113990353   1.1652403303  -1.6556481488
H    0.1651900171  -0.1934291222   2.2052163352
H    0.2100201248  -0.4442859227  -2.0770249490
H    2.4921062054  -0.8998644472   2.2737066951
H    2.5464210059  -1.1472718403  -2.0061476920
H    0.6312078891   2.7751028391   2.0314135575
H    0.8821875290   4.0236034947  -1.9049115175
*