! 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   -2.3038664889  -0.2035632879  -1.6199036508
F   -0.2535620331   3.1026398258  -0.1036132768
F    0.9850657449   4.5914442407  -1.0561064452
F    5.8897814808  -1.9695734553   0.0717904298
F    6.7245724563  -1.4236350659   1.9887476704
O   -2.2024141605  -0.7113032436  -2.9721750070
O   -2.6562736755   1.1866448126  -1.4020385891
O   -2.4942055729   0.5760236473   1.4587738806
O   -4.6015858087   1.3237754878   1.4203521904
O   -0.6542899912  -2.6021510154  -1.2003991827
O    1.9754628142   2.9971932930   0.0096380654
O    5.2083128642  -0.1415791678   1.1458412265
N   -0.8223128611  -0.3685848809  -0.8708737110
N    1.1249820885  -1.5314956560  -0.3286339579
N    1.5064537269   0.7574259781  -0.1414342015
N    3.1535343561  -0.8357344559   0.4112932731
C   -3.4430726852  -1.2310509024  -0.7308713431
C   -4.0876722062  -0.7653142261   0.4168525867
C   -3.7960694327  -2.4419436025  -1.3072035039
C   -5.1029615749  -1.5362092088   0.9664075213
C   -4.7888989581  -3.2137626228  -0.7239560465
C   -5.4450410906  -2.7583357545   0.4067053330
C   -3.7645624039   0.5078189873   1.1259253458
C   -0.1535967085  -1.5593847845  -0.8369045668
C    1.9489543290  -0.4828160689  -0.0085721812
C    2.3636292081   1.7203420092   0.1546886826
C    3.9712594303   0.1484262766   0.7184977155
C    3.6429644719   1.4902570548   0.6124562532
C   -2.0665480278   1.7307078978   2.1891126022
C    0.8889323958   3.2859566446  -0.7924514640
C    5.5906010021  -1.4642195167   1.2807870489
H   -3.3156584582  -2.7878899273  -2.2098485727
H   -0.3587641157   0.4817300777  -0.5463848182
H   -5.6222625031  -1.1870473832   1.8484113896
H   -5.0561605494  -4.1616532337  -1.1690026933
H   -6.2318683828  -3.3486651988   0.8550612337
H    1.5487299153  -2.4469469535  -0.2467445070
H    4.3343335429   2.2849646701   0.8483797620
H   -2.2876481180   2.6498644316   1.6504110275
H   -0.9940998031   1.6228394528   2.3139436894
H   -2.5399962321   1.7625682971   3.1693286786
H    0.8589823097   2.7117025486  -1.7177348489
H    4.8555645323  -2.0934253107   1.7781134622
*