! 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  -3.3851372587   0.6493040472   2.0507422829
S    1.2792109795  -2.1427221578   0.6311673012
O    1.2313792105   0.9523726694   1.3067975079
O    1.3439355581  -3.5103130637   0.1612735517
O    0.9930350710  -1.8807355852   2.0302049262
O    2.8096376552   0.9163303503   2.9044278953
O    0.8989744009  -1.7259417550  -2.2625673395
O   -4.4280007325   2.4634701917  -2.4819797070
N    0.0679452568  -1.3471607776  -0.1866866777
N   -0.9362449209  -0.4299175976  -2.0718382057
N   -2.6796586028   1.0113168258  -2.2783677176
N   -2.1413962982   0.1192304715  -0.1589430221
C    2.7985902695  -1.3370061529   0.1935798715
C    3.2117774630  -0.1680327485   0.8370911284
C    3.6299765178  -1.9892985504  -0.7046847592
C    4.4784767342   0.3287594117   0.5619671791
C    4.8801561784  -1.4618128782  -0.9884016082
C    5.3037365348  -0.3060041139  -0.3547879195
C    2.3912894615   0.6030821334   1.8185264827
C    0.0664710811  -1.2116250818  -1.5458226880
C    0.2743254465   1.6827134396   2.1008708719
C   -1.9572969949   0.2581764863  -1.4613516364
C   -0.2810885832   2.8155825182   1.2764141561
C   -3.6703212553   1.6908374777  -1.7372159906
C   -3.9640026402   1.6343857657  -0.3654316335
C   -3.1423191480   0.8181709988   0.3586849598
C   -4.1575932264   2.5630233465  -3.8818950200
H    3.3212849459  -2.9087812459  -1.1786277548
H    4.8195538591   1.2276291863   1.0574816579
H   -0.6574267717  -0.8637604857   0.3552885665
H    5.5232799844  -1.9673273173  -1.6949841947
H    6.2824097251   0.1025603129  -0.5646549119
H   -0.8845338845  -0.3171893619  -3.0761661708
H    0.7365933761   2.0571729045   3.0119178856
H   -0.5013798974   0.9725330683   2.3884938636
H   -1.0873233556   3.2971211653   1.8292191150
H    0.4800025055   3.5684182263   1.0734091355
H   -0.6857203437   2.4744452078   0.3238206711
H   -4.7748227597   2.1969137806   0.0708704995
H   -3.1606895562   2.9604022402  -4.0673142936
H   -4.8992305852   3.2535240651  -4.2719985567
H   -4.2644917290   1.5992649865  -4.3776156612
*