! 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
S   -1.7195062762  -0.4168608917  -1.9351688109
S   -3.7288229111   1.3806455361   1.3795651208
O   -2.3775046423  -1.5756657078  -2.5006845530
O   -1.3588545586   0.6806071240  -2.8058483566
O   -1.3315749588   2.8276419937   1.3981567239
O   -1.2508222345  -2.4702367389   0.1139202458
O   -0.2949245028   1.9268639006  -0.3729747114
O    5.2318752324  -1.2493954223   1.7155590218
N   -0.3013660949  -0.8879219886  -1.2126261278
N    0.9286053451  -1.9813046941   0.4307472151
N    2.2077959204  -0.3696601653  -0.6489673150
N    3.0759187037  -1.6601510589   1.1132206294
N    4.4129116922  -0.0236644888   0.0583681625
C   -2.7352185459   0.1462340601  -0.6046189289
C   -2.4421517417   1.1636622228   0.2729661574
C   -3.9957595793  -0.4487088031  -0.3768518513
C   -4.6423951879   0.1360178754   0.6703054809
C   -0.2815170087  -1.8196617943  -0.2112135489
C   -1.2366858712   1.9987793513   0.3742808124
C    2.1085259137  -1.3037488031   0.2796690502
C    3.3857226438   0.2545630951  -0.7188326686
C    4.1985552195  -0.9887564511   0.9515549294
C    3.5213999846   1.3121605099  -1.7508193957
C   -0.2242806885   3.6987610371   1.6491990338
C    5.1180856315  -2.2561937150   2.7224821243
H   -4.4062830045  -1.2636393033  -0.9514348041
H    0.5418719307  -0.3057976348  -1.3410131768
H   -5.6172647379  -0.1177387112   1.0577542681
H    3.5211623961   0.8562064260  -2.7425171503
H    2.6706134120   1.9919364436  -1.7113058384
H    4.4417439771   1.8752610203  -1.6279513178
H   -0.0627652747   4.3797550317   0.8151289517
H   -0.4906102119   4.2675719549   2.5340755645
H    0.6852042154   3.1321737369   1.8425149924
H    4.3539662141  -2.0010000334   3.4550672193
H    6.0874878721  -2.2901462081   3.2103119943
H    4.8977286958  -3.2306070121   2.2894528724
H    0.9181504901  -2.6817616166   1.1613855626
*