! 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   -2.5848195230   0.8064221490  -1.1508627381
O    4.4575486526  -0.4114222283  -0.4814656035
O   -3.0729494197   0.4895209310  -2.4748037797
O   -3.1253995150   1.9483673002  -0.4365461740
O    1.1029033619   2.6722219839  -0.3344252450
O   -0.3404400660  -0.9818687665  -1.8138849593
O   -2.6554055553   0.9908633392   2.9694574856
O   -0.8761891800   1.0505883273   1.6177693369
N    3.0288249663   1.3741012355  -0.2701025383
N    1.2535738457   0.4551041072  -1.0722390683
N   -0.9455780481   1.1330770440  -1.2525890015
N    2.2337456068  -0.5083184109  -1.1405693734
C   -2.7606278420  -0.6375815010  -0.1315324811
C    3.2633098774   0.0825205473  -0.6498972040
C   -2.5699886194  -0.5767203595   1.2509968190
C    1.7178503370   1.6398281831  -0.5268438409
C   -0.0451398732   0.1165449518  -1.4149624205
C    4.6427440909  -1.8028407354  -0.8149628846
C   -3.2422172115  -1.7863921896  -0.7376546113
C    6.0468214533  -2.1974649273  -0.4255966314
C    3.9762402669   2.2861907742   0.3338462800
C   -2.8778371226  -1.6957157291   2.0125738982
C   -3.5259473069  -2.9008335273   0.0371049929
C   -3.3466039335  -2.8538528322   1.4084071254
C   -1.9414029707   0.5871019222   1.9406901175
C    6.2805040739  -3.6719298078  -0.7194624292
C   -2.1030444656   2.0360176021   3.7788389358
H   -0.6397835424   1.9947700969  -0.7945868118
H    4.4765233254  -1.9367179905  -1.8861489898
H    3.9044958058  -2.3989808862  -0.2739224178
H   -3.4045693781  -1.8230055268  -1.8045552282
H    6.7685216263  -1.5894226025  -0.9752804016
H    6.2002649454  -2.0036353791   0.6382436778
H    3.4735798877   3.2289105617   0.5254075386
H    4.3408611960   1.8872798567   1.2769612126
H    4.8121220221   2.4672150384  -0.3366290640
H   -2.7341047749  -1.6748051189   3.0840418814
H   -3.8935429598  -3.7996393051  -0.4372591466
H   -3.5713893243  -3.7183568918   2.0172543709
H    5.5911331665  -4.3049072930  -0.1587066366
H    6.1496399687  -3.8956724480  -1.7792172071
H    7.2929157586  -3.9647380936  -0.4441972451
H   -1.9405992149   2.9417003809   3.1965954899
H   -1.1668450541   1.7219910882   4.2379761193
H   -2.8387564395   2.2307663208   4.5523842678
*