! 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  -0.5077760945  -0.5700327054   1.3627184128
Cl  -4.1947918114  -2.9499940756   0.7153140900
Cl   3.5496969858  -3.5632396064  -0.4549994688
S   -1.3637840197   3.2898660353  -0.3708594169
N    2.1931141578   2.1384030424   0.9228911898
N    0.1339078545   1.2219249204  -0.9612756892
N    2.6807226827   1.1501569901   1.6772094632
N    4.2288541772   1.8676657312   0.2190342214
C    0.8289115455   2.5809326651   1.0242951866
C   -2.4369273692   2.3512682741  -1.5001364071
C   -0.0175970723   2.1904972484  -0.1671546085
C   -2.8822320054   1.0320118090  -0.9449635768
C   -2.5384955496  -0.1520918348  -1.5860415622
C   -3.6468194643   0.9649574152   0.2152380553
C    0.9908785114   0.1488356729  -0.7748024865
C   -2.9425506633  -1.3807388542  -1.0873760915
C   -4.0577403036  -0.2537232285   0.7303409090
C    3.1210631791   2.5451697338   0.0540169175
C    0.7667931588  -0.8043374952   0.2234899236
C    2.0251968223  -0.0910240065  -1.6779830747
C   -3.6958814036  -1.4187529963   0.0727064821
C    1.5437306534  -1.9459975939   0.3249224038
C    2.8246068332  -1.2148932490  -1.5798689354
C    2.5732624676  -2.1383085382  -0.5780342407
C    3.8964506116   1.0240498081   1.2166193860
H    0.8145385181   3.6661287717   1.1421671737
H    0.3969340614   2.1607166333   1.9324938822
H   -1.9303843953   2.2328042587  -2.4565785472
H   -3.2850921476   3.0202322127  -1.6595773733
H   -1.9408494123  -0.1223398931  -2.4871686135
H   -3.9258188720   1.8729771283   0.7354188058
H   -2.6615460849  -2.2927586798  -1.5957105253
H   -4.6518842346  -0.2911251376   1.6330410774
H    2.9501930073   3.3357217579  -0.6598399206
H    2.2064031767   0.6245400409  -2.4687624297
H    1.3463315588  -2.6688376543   1.1041746987
H    3.6273097808  -1.3685526551  -2.2872071514
H    4.5802579011   0.2964864007   1.6240096447
*