! 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  -5.2241340904  -0.4060093158   0.7499989086
S   -1.8309886769  -0.9368740933   1.7268390622
O   -2.8086386075  -1.9837337231   1.8940759344
O   -1.2329644316  -0.3107279025   2.8879174607
O   -1.7047687729  -2.1602020281  -0.9638077968
O    4.8709229986  -1.2443244997  -2.3891163934
O    3.5359202328  -0.3557207148   1.9649891769
N   -1.8371619900   1.2718229031   0.1088745104
N   -0.5201278633   1.4289870795   0.1619750759
N   -3.9665549078   1.5778293182  -0.4509379536
N   -0.5278376887  -1.4783977616   0.8580114166
N    0.5365375414  -1.9496833148  -1.1515588313
N    2.7034995372  -1.6265928117  -1.7707797423
N    2.0331048483  -1.1616399036   0.4424400843
C   -2.5518404657   0.2652200239   0.7054741081
C   -0.0404461479   2.4264861864  -0.5275686449
C    1.4440493637   2.5870454652  -0.5646275903
C   -2.7290081838   2.0381846888  -0.5863629537
C    2.0126794934   2.1161873763  -1.9061996733
C   -0.8686863870   3.3133872057  -1.2717689946
C   -2.2136812597   3.1280450863  -1.3047561100
C   -3.8581667246   0.5019930358   0.3230609030
C    3.5166343957   2.3125381819  -1.9952841294
C   -0.6420506524  -1.8839982526  -0.4490212332
C    1.8128626510  -1.5588505412  -0.7984888664
C    3.9332312310  -1.2398240978  -1.4581695703
C    3.2719898067  -0.7819974891   0.7417079413
C    4.2967073861  -0.8118273652  -0.1862054920
C    4.5183518785  -1.5883623658  -3.7271478646
C    2.4736493663  -0.2797947244   2.9140136304
H    1.6961577757   3.6386556591  -0.4083806773
H    1.8952075972   2.0212645515   0.2521170143
H    1.5268813468   2.6575226258  -2.7222938021
H    1.7593113551   1.0634353767  -2.0524919280
H   -0.4108274079   4.1321409256  -1.8086974264
H   -2.8803175181   3.7735478961  -1.8576815606
H    4.0349224172   1.8283845115  -1.1664318225
H    3.9119535669   1.8948426111  -2.9220217243
H    3.7768850263   3.3718552086  -1.9728808359
H    0.4319402054  -2.2596257682  -2.1088773058
H    5.3010105602  -0.4938081789   0.0516399842
H    4.1702568964  -2.6179175161  -3.8013791315
H    5.4298112472  -1.4763277931  -4.3072422402
H    3.7558001806  -0.9202599702  -4.1269760751
H    2.9258132054   0.0834700391   3.8325290615
H    2.0293584125  -1.2569923674   3.1027450900
H    1.7034490964   0.4255896385   2.5997790578
H    0.4064075488  -1.1509502993   1.1525444685
*