! 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  -3.1938096599   1.0237777128   2.0384704676
S    1.2725551642  -2.0466386037   0.6759240283
O    1.4743771870   1.1093613510   1.3323362223
O    1.2487604320  -3.4315827045   0.2564270116
O    1.0053528395  -1.7140042641   2.0640214167
O    2.9466146930   0.7679479221   2.9932340533
O    0.8348746052  -1.8051925699  -2.2323982108
O   -4.8471996788   1.8818440611  -2.5960997469
N    0.1174158500  -1.1982170018  -0.1679362975
N   -1.0269910390  -0.5427257847  -2.0820733997
N   -2.9313548681   0.6690928382  -2.3413491079
N   -2.1137429208   0.2191536978  -0.1725061429
C    2.8355823784  -1.3509541275   0.2185517769
C    3.3240618848  -0.2150072115   0.8657886070
C    3.6113383385  -2.0431398303  -0.6992517601
C    4.6126193946   0.2115923147   0.5769899488
C    4.8852598130  -1.5852796048  -0.9969679555
C    5.3847211894  -0.4623630070  -0.3582760341
C    2.5540555858   0.5829133124   1.8687126868
C    0.0306338828  -1.2287016074  -1.5311456440
C    0.5943191024   1.9095585910   2.1490373919
C   -2.0620211627   0.1416473980  -1.4914127137
C   -0.0954529872   2.9086737671   1.2569310225
C   -3.9408009699   1.3345528267  -1.8178966679
C   -4.1027486658   1.4967421100  -0.4324925632
C   -3.1340597532   0.9034143708   0.3261704680
C   -4.7220148024   1.7453177392  -4.0132823423
H    3.2406222271  -2.9381681433  -1.1760376341
H    5.0134578414   1.0832204138   1.0766756040
H   -0.5881866836  -0.6693242046   0.3590331072
H    5.4881395919  -2.1190471109  -1.7180569529
H    6.3826996944  -0.1102699033  -0.5793315518
H   -1.0504211962  -0.5666874911  -3.0933024915
H    1.1589678961   2.4166037391   2.9304617171
H   -0.1173610782   1.2350922149   2.6293917319
H   -0.6352066740   2.4304425724   0.4400896049
H   -0.8141664641   3.4752874921   1.8480246376
H    0.6164883875   3.6158990928   0.8315344042
H   -4.9288185983   2.0497975784  -0.0127759895
H   -3.8081569367   2.2117480367  -4.3788212429
H   -5.5815752204   2.2605122738  -4.4313351371
H   -4.7446212006   0.6995562877  -4.3165313936
*