! 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   -1.5240856864   1.1896712380  -0.7542006019
F   -4.9750837264   0.2487277045   2.0057745230
F   -3.2632177520   1.4812319376   2.3945339862
F   -4.1684971729   1.4696985553   0.4388477396
O   -1.3901455769   2.2547211635   0.2197714539
O   -2.4262109891   1.3188985552  -1.8749062187
O   -0.4245095633  -0.3203520293  -3.1722408402
O    5.6771026957  -1.7720493663  -0.6149525687
O    3.1110034359   1.2787257091   1.7638373085
N    0.0108487602   0.9216652114  -1.2940731624
N   -1.1247412637  -1.3324369306  -0.1917619626
N    1.6125228663  -0.4767347957  -2.2270621942
N    3.6431954038  -1.1228088981  -1.4312142589
N    2.3479752291   0.4301007699  -0.2171463478
C   -1.9131465949  -0.3370845637   0.1387212839
C   -2.9380428993  -0.4352345505   1.0767026184
C   -3.0995979768  -1.6698882438   1.6928165661
C   -3.8372450626   0.7000304377   1.4775182289
C   -2.2695883263  -2.7218692409   1.3507652228
C    0.3274388523   0.0063391880  -2.2834642601
C   -1.2948123533  -2.5101414194   0.3945588095
C    2.5710508891  -0.3787805587  -1.2387498527
C    4.5778376534  -1.0482555616  -0.4932615954
C    3.2918145694   0.4916176363   0.7175984722
C    4.4615778554  -0.2420576168   0.6332001903
C    5.8227764023  -2.6286413189  -1.7462395914
C    1.8923123521   2.0110249799   1.8748712385
H    0.7545141916   1.0538225895  -0.5844692287
H   -3.8658694563  -1.8210582801   2.4398254184
H   -2.3803136779  -3.6886940659   1.8186300825
H   -0.6256052748  -3.3033965486   0.0899813576
H    1.8485106664  -1.1021532944  -2.9863401542
H    5.2291789074  -0.1938197854   1.3913555506
H    5.0287112642  -3.3729323034  -1.7932487299
H    5.8455515792  -2.0645207963  -2.6779614678
H    6.7758153024  -3.1320771168  -1.6102224075
H    1.7582053410   2.7018847506   1.0426271869
H    1.9745873784   2.5816096677   2.7954605862
H    1.0317522373   1.3458143714   1.9517154617
*