! 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  -5.6415484519  -0.2257351612   0.3822617530
O    2.7084951919  -0.6079159956  -1.6989496388
O    0.0740541022  -0.9015081588  -0.7190723649
N    1.1046056159   1.0688356533  -0.0454861888
N    1.1164890536   1.8687521270   1.0276983220
N    1.0151519453   3.0833755047  -0.8528452508
C    3.5889482331  -1.0170940391   0.5725455224
C    2.3914952727  -1.0555635443  -0.4018453804
C    1.0974338319  -0.3765980747   0.0851193173
C    4.7265561185  -1.8230750627  -0.0640282396
C    4.0933979335   0.3966503009   0.8668483289
C    3.1983105006  -1.6976097259   1.8852713299
C    1.0344923015   1.8090729262  -1.1582063480
C   -1.2307673713  -0.6898386703  -0.3925880540
C    1.0719593522   3.0604987901   0.4936334703
C   -2.1590469931  -1.1859854609  -1.3041993326
C   -1.6678312754  -0.0461446864   0.7582845041
C   -3.5138191141  -1.0478082902  -1.0681637195
C   -3.0300950946   0.0941267341   0.9928771951
C   -3.9440149642  -0.4047691426   0.0837101872
H    2.1211192907  -2.1121287629  -0.5036013175
H    0.9270921164  -0.5912536611   1.1422349932
H    4.4059320153  -2.8326703444  -0.3304639702
H    5.1226581778  -1.3506875797  -0.9635736096
H    5.5543599364  -1.9177545993   0.6403829625
H    4.3282252478   0.9680455096  -0.0358751263
H    5.0190042287   0.3418308139   1.4424957566
H    3.3866724669   0.9803479674   1.4543050146
H    2.7953439185  -2.6985825090   1.7160280269
H    2.4604274885  -1.1321251898   2.4562794067
H    4.0755571005  -1.8022412163   2.5253351228
H    3.2725749910   0.1713728202  -1.6438862151
H    0.9773479657   1.3996481544  -2.1531177997
H    1.0749100579   3.9519386680   1.1005633194
H   -1.8168476029  -1.6876041514  -2.2000024284
H   -0.9872488007   0.3580668385   1.4940144332
H   -4.2249107791  -1.4396402443  -1.7822313276
H   -3.3616528589   0.5978183149   1.8903260246
*