! 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    0.8956837926   0.9934785662  -1.3958651064
F    1.9665280624  -3.0217887456  -1.8145059373
F    3.8660750539  -3.8354637015  -1.2238854427
F    3.6733856640  -1.7274861827  -1.6074038820
O    0.8323523494   2.2392215332  -2.1349970349
O    0.8497039902  -0.2535696564  -2.1355783422
O   -0.0076855824   2.8478361055   0.7134982844
O   -6.2171224900   0.4631408230   2.0061288803
N   -0.4194095116   0.8944817493  -0.3672856719
N   -1.9658307829   1.8026804126   1.1149661778
N   -2.8147868089  -0.1125035676   0.1009974060
N   -4.0911702312   1.1682177489   1.6053985000
N   -5.0193178003  -0.7452199523   0.5823407717
C    2.6405366093  -0.0254294252   0.5172888385
C    1.8766549338  -1.3195400827   0.6694476380
C    2.2992184607   1.0448282051  -0.3152211160
C    2.7090006948  -2.5711556322   0.3874154480
C    3.7735820924   0.1442102113   1.3121105982
C    3.0547311400   2.2135128854  -0.3624911063
C    3.0483656768  -2.7806370112  -1.0609420756
C    4.5395310188   1.2956655806   1.2684511018
C    4.1839154652   2.3361810119   0.4236116644
C   -0.7416031031   1.9102222616   0.4874752583
C   -2.9847144378   0.9098645947   0.9230728481
C   -3.8704510930  -0.9183287322  -0.0406922124
C   -5.0680879769   0.3096582779   1.3932558141
C   -3.7137260556  -2.0902692076  -0.9374743778
C   -6.3921535726   1.5707507413   2.8912092598
H    1.5568856412  -1.3858316901   1.7108933139
H    0.9632412855  -1.3524193091   0.0837412383
H    3.6407083136  -2.5544603529   0.9547302052
H    2.1557486834  -3.4472681583   0.7291948375
H    4.0621756019  -0.6492237061   1.9901695519
H    2.7670000298   3.0296339395  -1.0080626205
H    5.4134249020   1.3812414687   1.8999307944
H    4.7720599079   3.2420697938   0.3823143909
H   -1.1269691333   0.1632874955  -0.5347679143
H   -2.1686368585   2.5592600871   1.7560189570
H   -4.6778902038  -2.4829074748  -1.2476082132
H   -3.1214380035  -1.8368312711  -1.8143957674
H   -3.1822102103  -2.8811458817  -0.4037607146
H   -7.4111538866   1.4918718550   3.2576918038
H   -6.2686358961   2.5194041472   2.3712581405
H   -5.7015312050   1.5222046952   3.7315439852
*