! 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   -0.1137699971   0.2241943656  -1.5955279375
S    5.4951395444   2.9017261483  -0.5166583029
O    0.6588096390  -0.2839970910  -2.7086640558
O   -1.1000235672   1.2660741745  -1.8209201580
O   -1.1107167009   3.2493569033   0.6433714424
O    5.8192887135   3.1773268600   0.8789196498
O    4.3261255650   3.5679567946  -1.0817343255
O   -1.7215894011   1.1746138323   1.2224893175
O    0.7815810449  -2.4089300567  -0.6057016520
O   -4.9955507883  -5.1060979892   1.7344753595
O   -5.2913721566  -0.8614361291  -0.1146177758
N    5.4143054638   1.2474810478  -0.6635477945
N   -0.9829718069  -1.0113738895  -0.9111775058
N   -1.2563096514  -3.0881811957   0.0849554415
N   -3.1180270071  -4.0996833015   0.9054640904
N   -3.2731811199  -1.9365147542  -0.0259521826
C    1.0015097870   0.7740816507  -0.3346958671
C    3.2458885015   0.8835457032   0.5131052067
C    4.7021715258   0.5218083305   0.3888053588
C    2.3347404319   0.4169695394  -0.4278598574
C    0.5471249672   1.6172692231   0.6787766606
C    2.7965438411   1.7165297683   1.5272379471
C    1.4620770941   2.0864571453   1.6072733608
C   -0.8930019393   1.9712079666   0.8612779028
C    6.8880350296   3.2733875902  -1.5415639946
C   -0.4047925525  -2.1785157275  -0.4910090730
C   -2.6132066142  -3.0262679944   0.3266716314
C   -2.4518788619   3.7249442552   0.8135117112
C   -4.4200714077  -4.0680374252   1.1518168240
C   -4.5794424816  -1.9226673393   0.2234363389
C   -5.2285016583  -2.9857953889   0.8260323282
C   -4.1972191667  -6.2322075035   2.0919415889
C   -4.6321706072   0.2559756666  -0.7074238722
H    4.8091974992  -0.5336999341   0.1433611815
H    5.2178800885   0.6735815270   1.3345566670
H    2.6753809135  -0.2217372678  -1.2321071990
H    3.4897708603   2.0870901025   2.2706640331
H    1.1361445464   2.7384859324   2.4064421135
H    5.0995533350   0.9893183229  -1.5954985009
H   -1.9821646177  -0.8680031060  -0.6999750310
H    6.6997899911   2.9243062913  -2.5549065747
H    7.7769867760   2.7957731918  -1.1388298960
H    7.0138266168   4.3549252909  -1.5478446126
H   -3.1449142878   3.1914067887   0.1632375829
H   -2.4309506156   4.7731466981   0.5332056645
H   -2.7743761646   3.6302861136   1.8497554650
H   -6.2886974265  -2.9731771762   1.0312120832
H   -4.8790808406  -6.9360871492   2.5607235012
H   -3.4162284289  -5.9637814171   2.8022808486
H   -3.7455962540  -6.6999382246   1.2178382207
H   -3.9004175839   0.6893499176  -0.0268932656
H   -4.1539299592  -0.0095081119  -1.6504105250
H   -5.4115279946   0.9870049244  -0.9036518367
H   -0.8067864066  -3.9424052696   0.3869139450
*