! 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  -1.3147027078   1.7568909042   1.7024309481
Cl   8.1376616231  -0.0419614189   0.0669514133
Cl  -6.0270394479   2.3702469277  -0.7851364468
S    1.4893117754  -1.3486448861   0.2192249924
N   -2.3200323973  -1.9458055172   0.9246254295
N   -0.6458055978  -0.0568809802  -0.6053537094
N   -2.6204052508  -2.7140610885  -0.1248379367
N   -4.4860055479  -1.8884502078   0.8134934892
C   -0.9563267185  -1.6778184991   1.2810690444
C    2.2123112062  -0.1089433255  -0.8992976512
C   -0.2031234462  -0.9185849133   0.2090062379
C    3.6922972515  -0.0894770157  -0.6704451578
C    4.2330170474   0.6883171345   0.3494085552
C    4.5459403253  -0.8594658234  -1.4524391053
C   -1.9369464981   0.4570751215  -0.5897492344
C    5.5983258056   0.7106280100   0.5813094341
C    5.9156278766  -0.8509498354  -1.2326807855
C   -3.4372294245  -1.4549352453   1.4638897890
C   -2.3632300776   1.3635449883   0.3836040164
C   -2.8122623247   0.1786130765  -1.6388860296
C    6.4287076268  -0.0635157590  -0.2150573996
C   -3.6130664428   1.9584381097   0.3324958919
C   -4.0689249710   0.7505620708  -1.7013371119
C   -4.4600835060   1.6392195777  -0.7130254912
C   -3.9248089549  -2.6412606122  -0.1521298222
H   -0.4526908484  -2.6211932205   1.4968596872
H   -0.9428645226  -1.0998734884   2.2062151757
H    1.7593092937   0.8553617704  -0.6721569355
H    1.9678343048  -0.3680716570  -1.9280041486
H    3.5840324084   1.2920909528   0.9714742703
H    4.1449181394  -1.4726019882  -2.2497442542
H    6.0055739237   1.3253145536   1.3719952825
H    6.5689635794  -1.4507292781  -1.8509705842
H   -3.4373272702  -0.8136002923   2.3313671993
H   -2.4972503363  -0.5023825308  -2.4173243107
H   -3.9166264233   2.6525970729   1.1036822952
H   -4.7315096489   0.5036591186  -2.5189182602
H   -4.5022928195  -3.1661286163  -0.8964710026
*