! 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   -4.3523620974  -0.2258655402   0.0872092423
S   -0.9926765796  -1.0567063607  -0.6004174977
O   -5.6215261457   0.4918647721  -0.0245753655
O   -4.2214280292  -1.4660277238  -0.6687690929
O   -1.6757550900  -1.8308693652   0.4091566352
O   -0.7557760968  -1.6193149452  -1.9133942311
O   -0.3036395336   0.4504389550   1.7792483275
O    4.3041822530  -1.4429526880  -2.0233268810
O    6.4753040941   0.8145055495   1.4029950897
N   -0.9270458781   1.3977680824  -1.3793393297
N    0.5053186718  -0.6349073345  -0.0378292527
N    1.9300512858   0.4445580414   1.4459161687
N    3.1004943851  -0.5019511415  -0.3232084543
N    4.1960406819   0.6365218594   1.4295379323
C   -3.0801618831   0.8984938670  -0.4904795181
C   -4.0237932703  -0.4543384599   1.8334170295
C   -1.7716139691   0.5618719632  -0.8217346684
C   -3.4746830658   2.2096481348  -0.7275299743
C   -4.8005925343  -1.6441276511   2.3666742653
C   -2.5774709210   3.1005513484  -1.2858745525
C   -1.3135803258   2.6441763143  -1.6131331677
C    0.6470833067   0.1051195880   1.1058600044
C    3.1259006768   0.1740708627   0.8119525894
C    4.2741906252  -0.7582180871  -0.8929371902
C    5.3584541806   0.3811454355   0.8442135741
C    5.4704091831  -0.3332212640  -0.3429010128
C    3.0753291140  -1.8937704295  -2.5899179781
C    6.4010977355   1.5596169744   2.6167037729
H   -4.3298658950   0.4811529962   2.3035059140
H   -2.9526802406  -0.5738206819   1.9755512446
H   -4.4759227709   2.5351949419  -0.4843093468
H   -4.6355970015  -1.7041642715   3.4413160724
H   -4.4606984223  -2.5787386798   1.9242871070
H   -5.8731390246  -1.5448717861   2.2047667585
H   -2.8604739774   4.1247630126  -1.4774573360
H    1.3424860330  -0.8014790289  -0.6141836404
H   -0.5881085816   3.2958925131  -2.0806102493
H    2.0061335474   0.9825583672   2.2991277691
H    6.4244340194  -0.5414757817  -0.8042176318
H    2.4299769382  -1.0597314589  -2.8675526443
H    2.5449539796  -2.5689139409  -1.9179037364
H    3.3485104102  -2.4386228746  -3.4890373632
H    5.8356803320   2.4820680599   2.4889588103
H    7.4282776045   1.8033541040   2.8726887907
H    5.9607490133   0.9745648969   3.4233285184
*