! 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    1.2267365683   1.5540328489  -1.5904917469
F   -0.3080646899  -1.7203456869   0.9266618379
F    1.0887504516  -0.4974369385   2.0125116891
F    0.7171750531  -2.5238482529   2.6379334721
O    1.1579383364   2.9722259777  -1.8811663305
O    1.2112142545   0.6186530729  -2.7024193948
O    0.2455013018   2.6068904435   0.9859479216
O   -3.1805562834  -1.8061678222  -1.8924730988
N   -0.1009660544   1.1097760045  -0.6836167124
N   -1.6344098773   1.3615092204   1.0492294022
N   -3.5646010599   0.2309295623   1.4754485639
N   -2.3804004087  -0.1885583494  -0.5101679702
N   -4.3539161875  -1.3775131734  -0.0503193797
C    2.9980795305  -0.0369820520  -0.1480663536
C    2.2902058374  -1.3221407520  -0.5127876367
C    2.6159835271   1.2532199478  -0.5335803508
C    1.9855753598  -2.2374914881   0.6734619597
C    4.1596076694  -0.1341313686   0.6170287328
C    3.3346189165   2.3825436480  -0.1495069411
C    0.8785586663  -1.7445542764   1.5598310075
C    4.8872251357   0.9788012153   0.9998191813
C    4.4711715566   2.2465544275   0.6234420258
C   -0.4417240786   1.7507079343   0.4744801366
C   -2.5520379682   0.4301244365   0.6497604511
C   -4.4510914593  -0.6759413411   1.0708924760
C   -3.2943317809  -1.0992319224  -0.7936337232
C   -5.6393020906  -0.8963727576   1.9326997704
C   -2.0274307794  -1.6216783891  -2.7152679730
H    1.3834368344  -1.1612405557  -1.0879979083
H    2.9504527567  -1.8801297078  -1.1794581435
H    1.6929340276  -3.2175862914   0.2935590803
H    2.8705532864  -2.3988632522   1.2888648643
H    4.5120182241  -1.1118349475   0.9193620263
H    3.0136894095   3.3687170904  -0.4495097142
H    5.7828015899   0.8531516992   1.5930381124
H    5.0268813606   3.1241075821   0.9222935925
H   -0.7675705217   0.4342469537  -1.0789253928
H   -1.8385496753   1.8189451835   1.9288864350
H   -6.3649372442  -0.1006924321   1.7491843783
H   -6.1200256413  -1.8460171355   1.7150738227
H   -5.3726871129  -0.8527050479   2.9866495568
H   -1.9741147186  -0.6076771806  -3.1098593694
H   -2.1410978409  -2.3179741891  -3.5403219883
H   -1.1132686402  -1.8641441585  -2.1722367652
*