! 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   -1.1501405952   2.1421034912  -0.2412716695
O   -1.5680306155  -1.0166177795  -2.3417830041
O   -1.8483974965   2.4715018335   0.9778909704
O   -0.4669413293   3.1648578753  -0.9998615561
O   -1.1995749523  -0.4874544393   1.1528190165
O    4.2948346087   2.0381006790  -0.5258090931
O    5.4245535510  -1.5740081266   2.1612481767
N   -2.2086320669   1.4001180199  -1.2542379233
N    0.0746006228   1.0526133411   0.0769769555
N    1.0434737350  -0.7194782476   1.2232800379
N    2.6616628210   0.6831399185   0.3238819734
N    3.2262804009  -1.1575397824   1.6885979273
C   -2.1148972383  -2.8893924203  -1.0296773232
C   -0.7223624694  -3.4682513552  -1.1113734899
C   -1.7501123468  -3.9382835105  -2.0617396375
C   -2.3057727464  -1.5040755508  -1.4969150113
C   -3.4210769126  -0.7109408743  -0.9164518396
C   -3.3371045113   0.6840837793  -0.7880011724
C   -4.5851002589  -1.3513357786  -0.4966306310
C   -4.3913323127   1.3958477758  -0.2344666579
C   -5.6381755844  -0.6381969048   0.0520281568
C   -5.5331882290   0.7367289250   0.1934828311
C   -0.1045806681  -0.0699384099   0.8369429417
C    2.3687900804  -0.3712115555   1.0650842855
C    3.9494442736   0.9900611325   0.2017167154
C    4.5064717775  -0.8380681933   1.5573796397
C    4.9463135932   0.2488604474   0.8113236194
C    3.2720443316   2.8104582145  -1.1529860270
C    5.0133203552  -2.6880105054   2.9503185318
H   -2.7215163887  -3.2183091060  -0.1983196103
H    0.0612481246  -2.8205054688  -1.4820465042
H   -0.4324818850  -4.1168895761  -0.2960434350
H   -2.1846856351  -4.9185949958  -1.9218531581
H   -1.6863003412  -3.6099701589  -3.0911156955
H   -4.6811855638  -2.4228778771  -0.6093835486
H   -4.3302675935   2.4721888919  -0.1583339162
H   -1.7414322543   0.9614143780  -2.0458230384
H   -6.5347529605  -1.1545695597   0.3656940918
H   -6.3481884567   1.3050240634   0.6207912757
H    0.8826260332  -1.5442770607   1.7861805847
H    5.9926973653   0.4982310508   0.7154209179
H    2.6068905936   3.2673081691  -0.4199542309
H    2.6955528012   2.2156258982  -1.8616248113
H    3.7891961879   3.5978314444  -1.6936956148
H    4.5046224222  -3.4413791529   2.3497545618
H    4.3660805486  -2.3840412736   3.7722011792
H    5.9277929612  -3.1127002757   3.3548389853
H    1.0435298670   1.3343505154  -0.1313043715
*