! 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  -0.1413183780  -0.9415551025   0.8525000765
Cl  -4.1194070907  -2.0445022481   2.1876457759
Cl   4.1468820034  -3.5197358226  -1.1054526689
S   -0.9457937681   3.1657453908  -1.2076880536
N    1.7707430154   2.0001365357   0.8373636360
N    0.1308140116   0.7883027865  -1.5160609186
N    0.9356957237   2.3360058059   1.8227111441
N    2.4653563922   0.8622738546   2.5490986952
C    1.5973026510   2.5096991791  -0.4989237385
C   -2.3632119424   2.1647212478  -1.7296536959
C    0.3194220351   1.9734508327  -1.1167477740
C   -2.7773403692   1.1201235220  -0.7333722934
C   -3.0422886460  -0.1750826765  -1.1616878232
C   -2.9367718715   1.4216141131   0.6144423263
C    1.1178626530  -0.1856332611  -1.4026547944
C   -3.4651406811  -1.1523245061  -0.2748726119
C   -3.3515607892   0.4562103030   1.5176766348
C    2.6662310550   1.1147660274   1.2806815344
C    1.0735783010  -1.1102568181  -0.3566585177
C    2.1234377371  -0.3227803535  -2.3555905209
C   -3.6119059548  -0.8263881793   1.0624242568
C    2.0006175830  -2.1329272031  -0.2545714488
C    3.0583201840  -1.3417087075  -2.2727832427
C    2.9880485641  -2.2392247071  -1.2208078285
C    1.3925023356   1.6304696608   2.8226740409
H    2.4586753208   2.2058655882  -1.0924681762
H    1.5986620649   3.5989039026  -0.4730399118
H   -2.1495982586   1.7218212602  -2.7014277502
H   -3.1588569810   2.8979841473  -1.8799589312
H   -2.9102508073  -0.4348979037  -2.2042987033
H   -2.7252642413   2.4192391310   0.9777993384
H   -3.6602762603  -2.1571642662  -0.6238182415
H   -3.4676154286   0.7044664332   2.5638943461
H    3.4489136367   0.7086640379   0.6587426192
H    2.1679883613   0.3752728679  -3.1813281786
H    1.9531236973  -2.8310475309   0.5694918429
H    3.8282333690  -1.4296739017  -3.0265259922
H    0.9351625333   1.6745987261   3.7984669684
*