! 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  -0.4538381423  -0.5394482924   1.4045326186
Cl  -4.1269790372  -2.9143708099   0.8222791989
Cl   3.4758220689  -3.6253616049  -0.5412036657
S   -1.3603232708   3.3036641562  -0.4450260312
N    2.1508737221   2.1461401694   0.9622540828
N    0.1446822320   1.2240877410  -0.9635648042
N    2.9895156861   2.5557940072   0.0069402410
N    3.9789052341   1.0383859262   1.3336815360
C    0.7966642943   2.6151745896   1.0146638860
C   -2.4135559102   2.3284632138  -1.5618114724
C   -0.0177949203   2.2070436503  -0.1911929591
C   -2.8575065510   1.0243601568  -0.9701603650
C   -3.6176125672   0.9881624435   0.1945615278
C   -2.5112223695  -0.1767477841  -1.5781226839
C    0.9931106549   0.1469751497  -0.7800803937
C   -4.0174726957  -0.2172400979   0.7485383746
C   -2.9044938051  -1.3922895091  -1.0400491106
C    2.7493922115   1.2376234031   1.7340291851
C    0.7811436725  -0.8016921002   0.2256413739
C    1.9995211825  -0.1143218138  -1.7106680953
C   -3.6500049388  -1.3996795100   0.1257930403
C    1.5376520542  -1.9596307532   0.3060539518
C    2.7728166665  -1.2575069671  -1.6389418722
C    2.5300186058  -2.1780132998  -0.6321196137
C    4.0643967113   1.8609586785   0.2710019654
H    0.7979046274   3.7025604154   1.1075152103
H    0.3249810558   2.2251999834   1.9171152118
H   -1.8928964421   2.1829130311  -2.5061356359
H   -3.2619980211   2.9871442091  -1.7550072238
H   -3.8996573002   1.9102206742   0.6882380886
H   -1.9181595152  -0.1707736033  -2.4830405576
H   -4.6065382032  -0.2306036776   1.6553753025
H   -2.6183938851  -2.3175404190  -1.5210991358
H    2.2635336454   0.7716458272   2.5771105307
H    2.1705862195   0.5955980962  -2.5080463688
H    1.3493566959  -2.6765526986   1.0930794148
H    3.5489293941  -1.4294431746  -2.3715914263
H    4.9567200457   1.9582934450  -0.3268525704
*