! 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    1.1666651774   1.5027691287   1.5981388342
F    2.2423200032  -3.7419088799   0.5387859182
F    2.9750418602  -4.3179112438  -1.4010223242
F    1.0592970797  -3.3535756541  -1.2138218712
O    1.3238450845   0.3943047067   2.5236154303
O    0.9559058012   2.8297295034   2.1444274540
O    0.0023481117   2.8067999181  -0.7715219946
O   -6.0694884155  -0.1601125999  -1.0748631828
N   -0.1593244612   1.0695487517   0.6798342930
N   -1.8567080995   1.5311149646  -0.8443339922
N   -2.5186185414  -0.1357152977   0.6389326499
N   -3.9659558888   0.7056604643  -1.0137779717
N   -4.7133594856  -0.9472762212   0.4956568881
C    2.9550852036   0.4399240265  -0.2581063710
C    2.2737269182  -0.9028046582  -0.1593652852
C    2.5165932445   1.5695342050   0.4525897487
C    2.9938124950  -2.0185466243  -0.9068358912
C    4.0534030867   0.6286117598  -1.0922512839
C    3.1406175581   2.8051843541   0.3379491991
C    2.3172143145  -3.3508070829  -0.7437008284
C    4.6883914802   1.8565785121  -1.2107048372
C    4.2365186613   2.9499345305  -0.4942670914
C   -0.6241990112   1.8701108678  -0.3258997133
C   -2.8036296220   0.6600173336  -0.3775965039
C   -3.5172953224  -0.9230087411   1.0494854617
C   -4.8753737585  -0.1178612227  -0.5339363656
C   -3.2365493871  -1.8291877271   2.1907319910
C   -6.3670989949   0.7021145758  -2.1745779973
H    2.1792935591  -1.1778654368   0.8903886206
H    1.2565886814  -0.8042209060  -0.5467235978
H    3.0438863860  -1.8089909859  -1.9769423097
H    4.0195653936  -2.1252680261  -0.5474653482
H    4.4376433006  -0.1976144497  -1.6721925274
H    2.7813479951   3.6599069848   0.8908038405
H    5.5402255517   1.9516947414  -1.8703112231
H    4.7229351305   3.9112016242  -0.5807291214
H   -0.7823005216   0.3304241141   1.0383786170
H   -2.1529806670   2.1172360199  -1.6144936139
H   -2.7255850470  -1.2945415457   2.9900881656
H   -4.1484842695  -2.2740897560   2.5777781415
H   -2.5720691482  -2.6314672461   1.8644752507
H   -5.7336679484   0.4855796495  -3.0333831563
H   -6.2620802731   1.7501129191  -1.8984101639
H   -7.4027189545   0.4999139521  -2.4307504955
*