! 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    1.2850516139   1.5372336441  -1.6616792458
F   -0.4459934857  -1.6690525865   0.9727349345
F    0.9438374309  -0.4016373787   2.0144055945
F    0.5526367303  -2.3923516279   2.7347019638
O    1.2807898556   2.9432611137  -2.0123551848
O    1.2844921158   0.5562939343  -2.7334903833
O    0.2267883604   2.7341900086   0.8199312074
O   -3.1072638892  -1.8497658277  -1.8922643614
N   -0.0965953172   1.1765897395  -0.7979187640
N   -1.6440134270   1.4765066625   0.9136453899
N   -3.4645308576   0.2213703726   1.4575883988
N   -2.3616426352  -0.1453081506  -0.5847772759
N   -4.1985180410  -1.4838786837   0.0121583596
C    2.9295817948  -0.0513019412  -0.0719210574
C    2.1962201161  -1.3259080421  -0.4253289126
C    2.6120750207   1.2339679617  -0.5274876856
C    1.8460897853  -2.2097726140   0.7717275344
C    4.0476798281  -0.1535415561   0.7547103035
C    3.3488007080   2.3545333635  -0.1519339248
C    0.7331915562  -1.6687328525   1.6223451437
C    4.7928591414   0.9503542290   1.1300080579
C    4.4405635021   2.2140736253   0.6824454311
C   -0.4508260070   1.8556173737   0.3339708393
C   -2.5144496373   0.4766939092   0.5766354553
C   -4.2920348530  -0.7668132297   1.1229755100
C   -3.2108538161  -1.1340382326  -0.7981522096
C   -5.3656616074  -1.1044254801   2.0907939049
C   -2.0306708182  -1.5848001509  -2.7930478573
H    1.3027047242  -1.1531034295  -1.0177397835
H    2.8524284106  -1.9123933508  -1.0712422526
H    1.5364810451  -3.1903676360   0.4068776155
H    2.7133029688  -2.3809673358   1.4089884738
H    4.3528069078  -1.1276716501   1.1137862584
H    3.0788562299   3.3370680969  -0.5086902457
H    5.6513572076   0.8202257301   1.7748404507
H    5.0100565983   3.0847204010   0.9754807997
H   -0.7593719668   0.4930648117  -1.1842092788
H   -1.8456546488   1.9468838361   1.7871273468
H   -6.0989695330  -1.7779382106   1.6570370463
H   -4.9260517927  -1.5901800829   2.9643059604
H   -5.8629808143  -0.2025243781   2.4441221496
H   -2.1556230686  -2.2848054605  -3.6133574993
H   -1.0660920877  -1.7684607150  -2.3182241198
H   -2.0716149160  -0.5681420899  -3.1816532291
*