! 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  -6.0477962733   0.6593489286   0.1690582429
O    2.9276133988   1.3786360447   0.7735528093
O    0.0218365375  -1.5615658875   0.6121298777
N    2.0454718222  -0.6158773717   0.2026799193
N    1.6023254278  -2.8360909138  -0.4040296916
N    2.4823242247  -4.8490267779  -0.5371909718
C    1.7179567372   0.6679967298   0.8927816060
C    3.3353328141  -0.4993332470  -0.5302516045
C    3.4998137629   1.0207877725  -0.4616058039
C    0.5818784546   1.4024376621   0.1679470009
C    1.4492342621   0.4735850873   2.3743138320
C    4.4886390848  -1.1704381351   0.2088053963
C    3.2821383520  -0.9422085556  -1.9850996693
C    0.3149440313   2.8026852855   0.7058169447
C    1.1561151496  -1.6082478339   0.1770881821
C   -0.7620332290   3.5351813978  -0.1005554637
C   -2.0954435138   2.8438328990  -0.0549249708
C    1.0865861111  -3.4069269586  -1.5412194675
C    2.4221969861  -3.7547966009   0.1675984761
C   -2.5519858837   2.0780929628  -1.1237781703
C   -2.8923071207   2.9181489800   1.0860504975
C    1.6610052075  -4.6371051835  -1.6134112160
C   -3.7633092586   1.4029793920  -1.0656568058
C   -4.1058092204   2.2525798102   1.1648279121
C   -4.5307896632   1.4966519830   0.0830578326
H    4.5459094593   1.3239714550  -0.4712243102
H    2.9943606931   1.5125860067  -1.3015278676
H   -0.3250646807   0.8046516018   0.2454130983
H    0.8133176339   1.4670748988  -0.9000907156
H    1.4985536405   1.4338054665   2.8873165099
H    2.1952143579  -0.1821048570   2.8233721421
H    0.4626920816   0.0553868882   2.5563304652
H    5.4298200273  -0.8976534625  -0.2697103596
H    4.4235472664  -2.2559196149   0.1808338756
H    4.5393403540  -0.8566851853   1.2516165760
H    2.3727001980  -0.6005896530  -2.4803447647
H    4.1287442754  -0.4973569337  -2.5109811061
H    3.3658632930  -2.0199814650  -2.1091912951
H    0.0015196846   2.7575419824   1.7523213296
H    1.2282849576   3.4001392619   0.6789165035
H   -0.4334320881   3.6340431126  -1.1380309986
H   -0.8614893167   4.5492248910   0.2931600144
H    0.3995815864  -2.8879150787  -2.1880873717
H    2.9051505182  -3.5850366241   1.1165935493
H   -1.9546307688   2.0021252698  -2.0242266331
H   -2.5652833636   3.5086155391   1.9336326351
H    1.5266511926  -5.3805244315  -2.3824503118
H   -4.0990327921   0.8135774598  -1.9079982784
H   -4.7109025912   2.3260852121   2.0582439485
*