! 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  -4.7346935732  -0.5655358040   1.6097287563
S   -1.8834799022  -1.3472080184  -0.4042569853
O   -1.5676634172  -1.3624856819  -1.8170081613
O   -2.7097593140  -2.3860226997   0.1609999918
O   -1.2117676109  -1.1329442744   2.4507972587
O    3.3980741759  -1.3707266855  -1.7857450945
O    5.5790744886  -1.4622721807   2.3115086916
N   -2.0894141302   1.3731986554  -0.3762702169
N   -1.0026753130   1.5517858382  -1.1156741577
N   -3.8769841689   1.8146250696   0.8702299122
N   -0.4023880201  -1.3163893429   0.3373739042
N    1.0282634375  -1.1786467552   2.1600454273
N    2.2007258376  -1.2659280057   0.1573887481
N    3.2985664278  -1.3112356843   2.2449267779
C   -2.5998111712   0.1660285903   0.0276377570
C   -0.6945706114   2.7912762813  -1.3787745836
C    0.5032881499   3.0317144739  -2.2374845159
C   -2.8940113672   2.3428623187   0.1505816894
C    0.1134401084   3.4903761575  -3.6445133823
C   -1.4640012384   3.8910918882  -0.9046755354
C   -2.5632489651   3.6760977669  -0.1366173616
C   -3.6937304357   0.4994686376   0.8029747537
C    1.3343830727   3.7664525815  -4.5059334549
C   -0.2646799489  -1.2062322307   1.6964537187
C    2.2249286876  -1.2574350126   1.4791917601
C    3.3725853264  -1.3532363301  -0.4635430564
C    4.4600760227  -1.3963113015   1.6109892739
C    4.5697668299  -1.4253655926   0.2251788772
C    2.1660712557  -1.3080164095  -2.5000654517
C    5.5104340043  -1.4311320434   3.7360096305
H    1.1298112051   3.7939806417  -1.7669846675
H    1.0956927824   2.1170393745  -2.2959411024
H   -0.5008487858   4.3924337883  -3.5816479013
H   -0.5087235416   2.7240808318  -4.1129072483
H   -1.1545967182   4.8959869701  -1.1554363305
H   -3.1714463274   4.4787555843   0.2540397215
H    1.0443110477   4.0884391719  -5.5062099929
H    1.9546789178   4.5524276295  -4.0722673274
H    1.9553132712   2.8756269682  -4.6128389890
H    1.1073408605  -1.1341911892   3.1675073213
H    5.5225782204  -1.5008654700  -0.2775539032
H    2.4323471048  -1.3531534655  -3.5520335572
H    1.6367327294  -0.3729529950  -2.3114946297
H    1.5188303157  -2.1533064059  -2.2651212070
H    4.9440607644  -2.2736720886   4.1309648106
H    5.0742612348  -0.5005526299   4.0971866153
H    6.5388458343  -1.5000604070   4.0790309647
H    0.4528483043  -1.2859756682  -0.2362400422
*