! 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   -1.5545520124  -2.3849633163   0.7741964719
F    3.5626664506   5.8257027608   2.3367036804
F    1.6091378552   5.5123785896   1.4676653562
F    3.2867026721  -1.6649292157  -2.4197007783
F    2.4479478664  -2.1468434323  -0.4886967134
O   -1.9678897172  -2.9674119028   2.0318854500
O   -0.7771762848  -3.1727981574  -0.1639828804
O   -1.6971374416  -2.3052033733  -3.2115984830
O   -0.7436891156  -0.7217536386  -1.9512748741
O   -2.0929342327  -0.0023914159   2.4145017916
O    3.2381017204   4.0139613129   1.2121479742
O    3.2822515733  -0.1164506476  -0.9144925106
N   -0.5957331628  -1.0551559689   1.0761432060
N   -0.2002219048   1.0955790842   1.8787080216
N    1.5147788718   2.5431013593   1.5454490156
N    1.5309862885   0.4525572931   0.4574896679
C   -2.9864162093  -1.7597959370  -0.0606342206
C   -2.9346985698  -1.4665626141  -1.4248525141
C   -4.1734649198  -1.6671975344   0.6480411373
C   -4.1000700022  -1.0754431064  -2.0678252926
C   -5.3249158339  -1.2532423006  -0.0054639908
C   -5.2875548958  -0.9592566807  -1.3581351573
C   -1.6613588176  -1.4619320559  -2.2042309700
C   -1.0336287175   0.0017859381   1.8242168083
C    0.9967879455   1.3587151676   1.2608709874
C    2.6662344370   2.8247057154   0.9736506278
C    2.6886824678   0.7691493338  -0.0989898598
C    3.3380097283   1.9656762392   0.1196218915
C   -0.5473343741  -2.3578324850  -4.0660225941
C    2.6322228574   4.8977022680   2.0868319542
C    2.5510163372  -1.1762422329  -1.4163691404
H   -4.2150462927  -1.9203700675   1.6972241836
H    0.2649671243  -0.9514497432   0.5327242335
H   -4.0825598852  -0.8438348937  -3.1245503578
H   -6.2501132896  -1.1710837764   0.5471120418
H   -6.1852465622  -0.6420941259  -1.8708577282
H   -0.5496420199   1.8432409162   2.4646330706
H    4.2803655686   2.2154280799  -0.3442122068
H    0.3327364355  -2.6929781340  -3.5164674237
H   -0.3492107555  -1.3900713663  -4.5246940016
H   -0.7852617164  -3.0843814703  -4.8363029826
H    2.2903892322   4.4436271467   3.0147609849
H    1.5615563690  -0.8933012010  -1.7745351683
*