! 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 4
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -4.8718199193  -0.2474617621  -1.7806432449
S   -2.0838753075  -1.6201312085  -0.0008775131
O   -2.8726446988  -2.4462119943  -0.8822288831
O   -2.0222597916  -1.9197560385   1.4149339105
O   -0.8711557863  -0.9740449179  -2.6205974921
O    2.7304052222  -1.6731127894   2.4556444286
O    5.6268501967  -0.1431141825  -0.8347790327
N   -1.9429579239   1.0878422621   0.3011093240
N   -0.8164286328   1.0351326627   0.9968119702
N   -3.7003833045   1.8990117470  -0.7915720700
N   -0.4955165101  -1.6119573022  -0.4710544469
N    1.2519668200  -0.9483542001  -1.8477064369
N    1.9826384948  -1.3550010105   0.3200453411
N    3.4398536410  -0.5583304447  -1.3550114214
C   -2.6037878501   0.0138902103  -0.2371567950
C   -0.3294052571   2.1832151200   1.3814629494
C    0.9850325291   2.1469717873   2.0935115617
C   -2.6359795217   2.2079895889  -0.0594897800
C    2.1714487235   2.3076284828   1.1350067572
C   -0.9801148633   3.4182028009   1.1046799944
C   -2.1315229428   3.4400095968   0.3822677958
C   -3.6756890482   0.5745204354  -0.9051145738
C    2.2544153647   3.6622606724   0.4506546684
C   -0.0977173965  -1.1670218267  -1.7071401259
C    2.2639698452  -0.9593342410  -0.9093341121
C    2.9735858888  -1.3178301837   1.2055623284
C    4.4224133184  -0.5408560295  -0.4639198822
C    4.2524983255  -0.9162731426   0.8641319208
C    1.4040353066  -2.0537940621   2.8187569096
C    5.8336888296   0.2866409521  -2.1790193887
H    1.0123610568   2.9379109466   2.8456406603
H    1.0770245879   1.1972907962   2.6220036713
H    2.1261862429   1.5210601025   0.3786450937
H    3.0844448903   2.1324508093   1.7071112232
H   -0.5470675867   4.3355674566   1.4766087572
H   -2.6533399920   4.3549128166   0.1426685362
H    3.1594053266   3.7293877442  -0.1535918166
H    1.4109357980   3.8417752297  -0.2175430039
H    2.2835158639   4.4758261050   1.1776027513
H    1.5258011849  -0.6348779468  -2.7696970529
H    5.0596535542  -0.8854220272   1.5809742396
H    1.0737002196  -2.9364248800   2.2712731242
H    0.6941084207  -1.2391121366   2.6689797703
H    1.4463160627  -2.2911899891   3.8777074973
H    5.2197649598   1.1528727315  -2.4234701682
H    5.6338185417  -0.5110862052  -2.8932130828
H    6.8820986037   0.5644672441  -2.2381273605
H    0.2252891604  -1.6289962180   0.2674367033
*