! 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   -1.4642754668   1.2324725176  -0.6972921804
F   -4.1366028650   1.5916448173   0.4061035364
F   -5.0671440180   0.3407403708   1.8775060976
F   -3.3123567873   1.4621558244   2.3923472234
O   -1.3060692439   2.2459690509   0.3266329227
O   -2.3255924463   1.4589863308  -1.8348852950
O   -0.3889959437  -0.2700316518  -3.1220565033
O    5.7346702886  -1.8099940133  -0.6512671372
O    3.1803648547   1.1578423608   1.8404558226
N    0.0699725001   0.9107248625  -1.2103459455
N   -1.1932682403  -1.3254022994  -0.2209908631
N    1.6429436608  -0.4941239586  -2.1791600077
N    3.6865453264  -1.1523644736  -1.4263047708
N    2.3983617074   0.3585849722  -0.1534466132
C   -1.9554247360  -0.3113088870   0.1136561018
C   -3.0283950783  -0.4027593272   0.9969116145
C   -3.2766009190  -1.6551039693   1.5446525544
C   -3.8873176957   0.7566488720   1.4164289975
C   -2.4792174133  -2.7287149156   1.1926062241
C    0.3687744910   0.0200694760  -2.2251358878
C   -1.4452930261  -2.5188293455   0.3003176570
C    2.6130856678  -0.4189977333  -1.2008271111
C    4.6311746373  -1.0988963100  -0.4970773217
C    3.3523850279   0.3993216698   0.7719669211
C    4.5240709601  -0.3260538363   0.6535043406
C    5.8789128403  -2.6287922273  -1.8098307050
C    1.9665223826   1.8943567240   1.9762571426
H    0.8103202047   1.0040756192  -0.4912461486
H   -4.0857870385  -1.8035854871   2.2453516506
H   -2.6586340180  -3.7103666523   1.6049963489
H   -0.7957056919  -3.3275062776  -0.0060364292
H    1.8690843561  -1.1004114895  -2.9567713800
H    5.3013672150  -0.2942755661   1.4025023756
H    5.8948675246  -2.0348194238  -2.7229720119
H    6.8350137795  -3.1311357812  -1.6939886240
H    5.0887471623  -3.3751899424  -1.8777857905
H    1.1012980154   1.2336356164   2.0356151722
H    1.8358064064   2.6100258920   1.1646283316
H    2.0555089529   2.4371369286   2.9129123774
*