! 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   -1.3615561537  -0.7971390906  -1.8933070777
F   -0.7146600360  -1.9833789714   0.8546168213
F   -0.8644903104  -0.0124914424   1.7155044783
F   -1.8948152093  -1.6652643515   2.6102549190
O   -1.7199720541  -0.1497049415  -3.1330435086
O   -0.8939710695  -2.1684546850  -1.9205669652
O   -1.3427193509   1.9912776105  -1.0227964441
O    3.7701048925  -1.5223554798  -0.1115057098
O    4.8995661690   2.6470274647   1.5861361487
N   -0.1635850465   0.0579557474  -1.1358377872
N   -3.8718849902  -0.4055400714  -1.4717882008
N    0.7797770128   1.9843339761  -0.2500571978
N    2.2627103304   0.1954482663  -0.1856886141
N    2.8289237958   2.3178323185   0.6755761336
C   -2.7845508538  -0.6531707498  -0.7819820334
C   -2.7663913987  -0.8338847118   0.6018865373
C   -3.9825302733  -0.6812187938   1.2582193296
C   -1.5522120000  -1.1285551307   1.4402046472
C   -5.1278971269  -0.4005076997   0.5374176340
C   -0.3101922763   1.3840910103  -0.8225403358
C   -5.0284180095  -0.2854452664  -0.8352025468
C    2.0104304418   1.4625133051   0.0939397103
C    3.4665198088  -0.2620963684   0.1464206811
C    4.0257104601   1.8473567394   1.0000395327
C    4.4184304843   0.5370876837   0.7537347935
C    2.7860334924  -2.3626855429  -0.7101301504
C    4.5245056225   3.9925832486   1.8736792601
H    0.7409476171  -0.3902756780  -0.9183877281
H   -4.0476827366  -0.7808655182   2.3319308114
H   -6.0789702240  -0.2797719209   1.0342186356
H   -5.8987563299  -0.0856112581  -1.4454775324
H    0.6397631469   2.9558283418  -0.0045701366
H    5.3963161012   0.1661530839   1.0229967418
H    2.4818604959  -1.9947419086  -1.6902740761
H    3.2613823585  -3.3315077294  -0.8333161642
H    1.9146541132  -2.4794939683  -0.0656483098
H    5.3949669023   4.4447693747   2.3403765882
H    3.6842489268   4.0363238382   2.5657198526
H    4.2764268145   4.5449936519   0.9682646066
*