! 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  -2.0038147524   0.5811246817   3.3637063979
Cl   3.3527199233   1.0840274838  -3.7958360263
Cl  -2.7777086103   4.9529324040   0.3476131618
S    0.7082983905  -2.6430224330   1.4058271104
N   -1.7094345260  -2.5287328475  -0.3539795208
N    0.1413660387  -0.0784211196   1.3466340286
N   -2.0348110786  -3.8128591522  -0.1892631835
N   -1.2242952084  -3.4613014759  -2.2530494923
C   -1.7270688119  -1.5859176681   0.7346962453
C    2.3538070416  -1.8763767944   1.3412044661
C   -0.3206716430  -1.2424474272   1.1771741093
C    2.6106890554  -1.1514131943   0.0522122209
C    2.3796937786  -1.7595742930  -1.1782496298
C    3.0841760910   0.1551111185   0.0708723063
C   -0.6012907015   1.0717304386   1.1066588726
C    2.6036674286  -1.0796132001  -2.3647082069
C    3.3246854014   0.8479692581  -1.1066261616
C   -1.2114235692  -2.3404465489  -1.5772172560
C   -1.5937442213   1.5257538602   1.9758014604
C   -0.2944264496   1.8599210098  -0.0014732217
C    3.0747309947   0.2234684352  -2.3171629394
C   -2.2635518368   2.7186950748   1.7551726928
C   -0.9609245736   3.0458163261  -0.2480653314
C   -1.9414767532   3.4672723637   0.6369129985
C   -1.7349390756  -4.3239163033  -1.3540536376
H   -2.2864017362  -2.0304593736   1.5571725738
H   -2.2589984291  -0.6872555870   0.4236928795
H    3.0359609290  -2.7203792381   1.4633129479
H    2.4904690975  -1.2218962689   2.1998803827
H    2.0072631160  -2.7753633485  -1.2215497115
H    3.2610461454   0.6514982657   1.0161296368
H    2.4134255975  -1.5636876567  -3.3127125526
H    3.6881703069   1.8658538278  -1.0732447190
H   -0.8737178300  -1.3796525305  -1.9343767855
H    0.4849352847   1.5290841943  -0.6759156005
H   -3.0286186848   3.0486285282   2.4440712379
H   -0.7128961044   3.6338023473  -1.1204124866
H   -1.8982102249  -5.3680583777  -1.5687896841
*