! 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   -2.1676139101  -0.2557543927  -1.5271711640
F   -0.1483183724   3.0242479223   0.3317031729
F    0.8352552657   4.4916610994  -0.9101273408
F    7.1939702478  -1.3780714398   0.6495471157
F    5.5764431125  -2.0760737405   1.8992479805
O   -1.9404010207  -0.7929080020  -2.8526754795
O   -2.4823810955   1.1524050119  -1.3703292084
O   -2.7340063978   0.6404883050   1.4866182868
O   -4.7889443728   1.4462543133   1.1252921654
O   -0.6098548586  -2.6987645745  -0.9345859717
O    2.0486087548   2.9338432237  -0.0401591776
O    5.4179200137  -0.1578878850   0.7788650340
N   -0.7832471802  -0.4620499145  -0.6186512559
N    1.1912002456  -1.6060559657  -0.1338829520
N    1.5775274216   0.6889567106  -0.0574058158
N    3.2895839110  -0.8808064484   0.3407956910
C   -3.4372328134  -1.2203913386  -0.7565984979
C   -4.2120889882  -0.6945564413   0.2789389179
C   -3.7473572584  -2.4443218647  -1.3308504599
C   -5.3135784992  -1.4173630480   0.7165885761
C   -4.8298812007  -3.1679171677  -0.8558698655
C   -5.6154555362  -2.6516717889   0.1606708712
C   -3.9467977883   0.5960422490   0.9801442157
C   -0.1037535182  -1.6504354821  -0.5982662675
C    2.0419737688  -0.5453575768   0.0534838452
C    2.4584399606   1.6634257993   0.0944418609
C    4.1351685254   0.1154118824   0.4998813595
C    3.7892886736   1.4514921095   0.3850983450
C   -2.3807955939   1.8074868969   2.2369028799
C    0.8120844004   3.1938918718  -0.5960180379
C    5.8614394434  -1.4666647445   0.7361063146
H   -3.1650505391  -2.8373531375  -2.1505169915
H   -0.3028451246   0.3874244692  -0.3156677834
H   -5.9339130631  -1.0206130178   1.5087245057
H   -5.0649614338  -4.1255814034  -1.2981049739
H   -6.4716665672  -3.2041624286   0.5216021198
H    1.6258500827  -2.5170876846  -0.0576071028
H    4.5008108062   2.2552831237   0.4988769253
H   -1.3444267088   1.6717094169   2.5279306590
H   -2.9963749598   1.8899230434   3.1317629693
H   -2.4862143417   2.7125642179   1.6419559243
H    0.5877215265   2.5956453317  -1.4786731889
H    5.4654264034  -2.0442179361  -0.0966940566
*