! 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   1.1461730954  -1.6933328424  -1.5366733863
S   -2.6643031103   1.2108367122   0.8033008551
O    1.6715378517   0.8291748741   0.7787472440
O   -1.2274519273   3.1114665316  -0.3063070043
O    3.0362970119   1.1460243256  -0.9741911021
N   -0.5385124119   0.9385436579  -0.6327494127
C   -0.8751358690  -0.3549554345  -0.2432114981
C    0.6854363648   1.3402695216  -1.2920492506
C   -2.0255232095  -0.3876721692   0.5526370363
C   -1.3556299976   1.9215802993  -0.1346169191
C   -0.2566834257  -1.5691352025  -0.5319017292
C   -2.5533754552  -1.5578918903   1.0633629620
C    1.9364105864   1.0825347747  -0.4838312884
C   -0.7697444483  -2.7499161329  -0.0149123207
C   -1.9072227271  -2.7480410389   0.7766796101
C    2.7515175383   0.4869282830   1.6703368439
C    3.0454242958  -0.9933956556   1.6258789211
H    0.7786039991   0.8805419809  -2.2726733808
H    0.6293022982   2.4150675746  -1.4714041076
H   -3.4438913778  -1.5431548176   1.6760373977
H   -0.2728219995  -3.6827001357  -0.2419270099
H   -2.2890114821  -3.6809561683   1.1656142129
H    3.6352503409   1.0804550427   1.4372001823
H    2.3962288970   0.7822104162   2.6552589814
H    2.1585568298  -1.5822084833   1.8604603552
H    3.4284767172  -1.3096113750   0.6565133166
H    3.8049670448  -1.2222985355   2.3734621849
*