! 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  -4.8037813827  -0.3105174896   1.6603708033
S   -1.9993498667  -1.4681952979  -0.2317254356
O   -1.7781699008  -1.7231277003  -1.6396431081
O   -2.8121532074  -2.3718909911   0.5462901073
O   -1.1156790387  -0.7429380142   2.4839198435
O    3.1563295494  -1.8179092274  -1.9748115719
O    5.6103417254  -0.2457313320   1.6394439042
N   -2.0607713097   1.2447765039  -0.5223518708
N   -0.9788279860   1.2786707459  -1.2856535620
N   -3.7993760267   1.9222273752   0.6898408630
N   -0.4693877404  -1.3691051239   0.3992213898
N    1.0923451849  -0.7575318971   2.0056226237
N    2.1109514943  -1.3070689315  -0.0080755409
N    3.3476991025  -0.5058495631   1.8345377942
C   -2.6422769600   0.1188060937   0.0028888051
C   -0.5779637926   2.4662894809  -1.6525725200
C    0.6436004441   2.5356435864  -2.5196206354
C   -2.7901354850   2.3128745460  -0.0813772247
C    1.8560661088   1.8106130246  -1.9403890302
C   -1.2564935276   3.6536039155  -1.2653100546
C   -2.3663485941   3.5865918218  -0.4826330918
C   -3.7018192857   0.5991261343   0.7506134259
C    2.2857985326   2.3344101003  -0.5797590707
C   -0.2294895707  -0.9490562723   1.6820332487
C    2.2289936359  -0.8626020742   1.2312879044
C    3.2267936409  -1.3861403186  -0.7267414058
C    4.4521889325  -0.5917127339   1.1055478246
C    4.4614634411  -1.0317475686  -0.2139216228
C    1.8890518988  -2.2074598215  -2.5013518962
C    5.6403145689   0.2370812867   2.9812734620
H    0.3994519211   2.1123467968  -3.4973502468
H    0.8890146268   3.5848690815  -2.6906888212
H    2.6778049715   1.9124689485  -2.6515003077
H    1.6365888838   0.7445811374  -1.8760481918
H   -0.8754828132   4.6075800915  -1.5996942543
H   -2.9095065894   4.4632685753  -0.1612999452
H    1.5359213533   2.1437404935   0.1896915036
H    3.2147740524   1.8631981285  -0.2562691293
H    2.4624658154   3.4113655802  -0.6068187785
H    1.2443975666  -0.4328888045   2.9515656316
H    5.3688734222  -1.0940690320  -0.7960673876
H    1.1891136153  -1.3712893576  -2.5356471241
H    1.4527919008  -3.0310987394  -1.9362646051
H    2.0822635740  -2.5387888601  -3.5173985056
H    6.6830172691   0.4610989630   3.1872988769
H    5.2888422803  -0.5133661276   3.6882489288
H    5.0497218338   1.1454054529   3.0948416388
H    0.3395265525  -1.4621143037  -0.2323721578
*