! 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   4.8015473207   4.7776375190  -0.2220305589
O   -0.7681076053  -1.7189878035   1.3208083539
N   -1.3394706709  -3.4483324954  -0.9713380922
N   -1.5179005004  -4.1675596954   0.1430557079
N   -2.8995597955  -4.8805280872  -1.4670329587
C   -0.8782429421  -1.2110647258   0.0110311489
C   -2.2864687768  -0.6402068742  -0.3568365612
C    0.1139718289  -0.0105991790  -0.1651838208
C   -1.9235393659   0.5046355974  -1.3043148934
C   -0.7430660126   1.1722510829  -0.6202896790
C   -3.1142491747  -0.2212634193   0.8798149226
C   -0.4602392335  -2.2993490054  -0.9933974189
C    0.9874444545   0.2921945824   1.0536675483
C   -4.1107248120   0.8971812353   0.5863114595
C   -3.8869612479  -1.4181942806   1.4338371252
C    1.9488877746   1.4103775504   0.7619388077
C   -2.1762778136  -3.8781492327  -1.9123151170
C    1.7012371479   2.7087533738   1.1974001109
C    3.1021591585   1.1782780124   0.0149393574
C    2.5693307653   3.7501537281   0.9001987287
C    3.9830158111   2.2035586521  -0.2926663118
C   -2.4606168985  -5.0088214513  -0.2046102456
C    3.7056502220   3.4863584535   0.1540825814
H   -2.8830638736  -1.3851218414  -0.8972782526
H    0.7927368333  -0.2613237728  -0.9892899170
H   -2.7517417814   1.1797015923  -1.5148548843
H   -1.6097253592   0.0977263691  -2.2708024478
H   -0.1978437944   1.8581339643  -1.2691438606
H   -1.0868842912   1.7527546932   0.2425487546
H   -2.4398330113   0.1429574469   1.6607064096
H    0.5579145327  -2.6303994940  -0.7797809525
H   -0.4701083639  -1.9127269558  -2.0111929711
H    1.5492728419  -0.5983993601   1.3418924925
H    0.3620079492   0.5669447362   1.9058201510
H   -1.1260311455  -2.6189573226   1.3403724356
H   -3.6254784484   1.8424180074   0.3411689645
H   -4.7758154709   0.6377781623  -0.2409084170
H   -4.7371263084   1.0800875064   1.4616883251
H   -4.6617869140  -1.7303609042   0.7286837621
H   -4.3832376922  -1.1655405976   2.3726560256
H   -3.2607394436  -2.2889247368   1.6237211307
H   -2.2169594683  -3.4466692851  -2.8998393655
H    0.8155134131   2.9185008939   1.7844252380
H    3.3257505710   0.1767119185  -0.3330301511
H    2.3581922268   4.7516113067   1.2497228098
H    4.8748684473   2.0013532158  -0.8700454505
H   -2.8397084589  -5.7470072210   0.4840283233
*