! 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  -5.8290654034  -0.8900094537  -1.0048528966
O    0.0430310887   1.5867356124   0.9633071753
N    1.4445024436   1.5319579658   0.7011447225
N    4.9387059824  -1.1585922775  -1.1474240376
C    1.6057927849   0.3104480812  -0.1079505782
C    0.7334832844  -0.6494827810   0.7135864269
C   -0.3734140508   0.2692192495   1.2660339367
C    3.0629809390  -0.1039905682  -0.0699121419
C    1.0693447764   0.4382457262  -1.5353710554
C   -1.7403249532   0.0202240257   0.6808084836
C    1.7890520190   2.7718792553   0.0459859216
C    3.8454894202   0.1028634571   1.0644844330
C    3.6747446866  -0.7447732165  -1.1416482362
C   -2.4283863382   0.9723681833  -0.0616801259
C   -2.3463684958  -1.2144034947   0.9042809046
C    5.1649455215  -0.3128223394   1.0679602178
C   -3.6874904827   0.6985678540  -0.5804745258
C   -3.5983722767  -1.5049194985   0.3896097768
C    5.6673086642  -0.9381622784  -0.0615276750
C   -4.2613350117  -0.5394470092  -0.3533716838
H    0.3496197589  -1.4700791260   0.1093076737
H    1.3046842996  -1.0809604084   1.5347885678
H   -0.4367547399   0.1404348213   2.3534717084
H    0.9984451869  -0.5383509728  -2.0123809778
H    1.7022272342   1.0679241155  -2.1614365846
H    0.0663078157   0.8639122289  -1.5404238127
H    2.8354806572   2.7208918316  -0.2520233364
H    1.6930852191   3.5983775059   0.7493150035
H    1.1858876877   2.9986568648  -0.8384656116
H    3.4299216005   0.5903028556   1.9349327365
H    3.1226301497  -0.9461144792  -2.0507928249
H   -1.9933007713   1.9432037617  -0.2524689874
H   -1.8352411795  -1.9715971962   1.4868688148
H    5.7960863213  -0.1561241892   1.9316620576
H   -4.2081297004   1.4509181150  -1.1571477437
H   -4.0485009523  -2.4717695275   0.5680808800
H    6.6962420795  -1.2765759416  -0.0888013493
*