! 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   -1.8602502623   1.5494036250  -0.2305968869
F    1.0464946148  -2.4787287945  -2.0166911588
F    1.5686949765  -2.0566821247   0.0250041885
F    0.7444194233  -3.9768900999  -0.5003777829
O   -1.7565743728   2.0868793742  -1.5708700353
O   -2.8919173805   2.0108342035   0.6711470509
O   -5.1514038627  -0.6198638177   0.9571420706
O   -4.8260012108   0.4878839914  -0.9662955837
O   -0.8764551489   0.7596564239   2.4116829224
O    5.7753565217   0.4600249266   1.1677672741
O    3.1200867362   2.3212608365  -2.1529376101
N   -0.7820503014  -0.8104971701  -0.5041828352
N   -0.3648161280   1.7830096224   0.4441107885
N    1.2992296057   0.9817510779   1.8640851509
N    3.5314160498   0.7160492698   1.5224706813
N    2.1902038396   1.6665172701  -0.1696557754
C   -1.9477089579  -0.2477704611  -0.3209021279
C   -3.1345580910  -0.9448703167  -0.1492156868
C   -0.7103327534  -2.1291468516  -0.5107347259
C   -3.0436487220  -2.3294074102  -0.1330096099
C   -1.8125805562  -2.9403134011  -0.3148655988
C   -4.4600311795  -0.2639012305  -0.0997846721
C    0.6736728678  -2.6705772736  -0.7490731145
C   -0.0390358082   1.1461712023   1.6251685640
C    2.3835782744   1.1296160656   1.0219063962
C    4.5907100894   0.8561287972   0.7366481127
C    3.2603886717   1.7969482790  -0.9479771965
C    4.5221028737   1.4031748936  -0.5392692563
C   -6.4678070110  -0.0673779559   1.1012118707
C    5.8827107760  -0.1277763525   2.4627128741
C    1.8185806149   2.7058614634  -2.5919719946
H   -3.9269453386  -2.9359661794   0.0102134089
H   -1.7379676124  -4.0174536202  -0.3016516051
H    1.5079065764   0.5534980733   2.7564063880
H    5.3925819350   1.5116163340  -1.1691621777
H   -6.4306447472   1.0202950653   1.1512437885
H   -7.1139502641  -0.3792223280   0.2812477483
H   -6.8508032865  -0.4603841450   2.0383440696
H    5.5788914761   0.5640248388   3.2472946994
H    6.9345110136  -0.3687812523   2.5873773393
H    5.2947552652  -1.0418542527   2.5391579882
H    1.1519725412   1.8466166792  -2.6675266928
H    1.3797481121   3.4630429552  -1.9431205992
H    1.9559201562   3.1303420670  -3.5819947618
H    0.4231300010   1.9256823374  -0.2089803078
*