! 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  -4.8944275157  -0.3270154693   1.5849989212
S   -2.0433402195  -1.5248609398  -0.2152755033
O   -1.8445267651  -1.8049218155  -1.6221015189
O   -2.8483912099  -2.4113433825   0.5896816725
O   -1.1169639690  -0.7577483023   2.4741268660
O    3.0788115795  -1.8463713392  -2.0584004976
O    5.6094380263  -0.4051878707   1.5561259924
N   -2.0883839528   1.1812118334  -0.5489992032
N   -0.9737194356   1.1958872233  -1.2700597557
N   -3.8748691191   1.8834252299   0.5727018656
N   -0.5050634797  -1.4194450718   0.3898168731
N    1.0828336594  -0.7854782388   1.9585814040
N    2.0642886991  -1.3388127809  -0.0740904020
N    3.3405541320  -0.5914781942   1.7648145354
C   -2.6785622624   0.0687427971  -0.0059457619
C   -0.5728956102   2.3719940235  -1.6664638869
C    0.6901708768   2.4454329947  -2.4622723267
C   -2.8423287972   2.2559564654  -0.1751161568
C    1.8266302591   3.1318427095  -1.6982646700
C   -1.2845700725   3.5673402983  -1.3605278791
C   -2.4199482449   3.5190977864  -0.6171892860
C   -3.7689494035   0.5628165403   0.6837619004
C    2.3312606728   2.3229261982  -0.5148607314
C   -0.2443688121  -0.9778210724   1.6607770945
C    2.2071310995  -0.9127556913   1.1693399985
C    3.1713102989  -1.4410322352  -0.8033427402
C    4.4367449651  -0.7089969882   1.0277887319
C    4.4215868546  -1.1372650537  -0.2949060422
C    1.7883904994  -2.1118992023  -2.6041405940
C    5.6660498036   0.0533174815   2.9055277875
H    0.9921696685   1.4388311137  -2.7564714142
H    0.4854142615   3.0029148632  -3.3792991946
H    1.5052411179   4.1228267066  -1.3669289374
H    2.6468339696   3.3007545077  -2.3982764740
H   -0.9105737319   4.5111799955  -1.7316946181
H   -2.9906808716   4.4000095866  -0.3619338472
H    2.7393426169   1.3686042924  -0.8497293204
H    3.1269418978   2.8521272928   0.0096858839
H    1.5440306681   2.1165991504   0.2122481197
H    1.2536859044  -0.4612633224   2.9014574677
H    5.3216428635  -1.2217591927  -0.8857225508
H    1.9610800869  -2.4186958306  -3.6316151948
H    1.1615141105  -1.2191110478  -2.6055927590
H    1.2835505788  -2.9202789117  -2.0752051409
H    5.1117741854   0.9816801769   3.0388163693
H    6.7178824297   0.2333532080   3.1083821419
H    5.2904658976  -0.6951619116   3.6022212955
H    0.2923685024  -1.5062107512  -0.2574232387
*