! 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   -2.5771738001   0.3550103998  -1.4952059639
F    0.5363708273   3.5592643908  -1.1724894213
F   -0.3106540812   2.9109435605   0.7108872904
F    6.7350422255  -1.7293993742   0.5264641947
F    4.8435988238  -2.5529463388   1.1717731396
O   -3.0167646044   0.2764221776  -2.8718917671
O   -2.8373792165   1.5568579255  -0.7241973945
O   -2.9808311171   0.4409427736   2.5173697263
O   -1.1001736880  -0.1383107417   1.4517755400
O   -0.8924315800  -1.9085259710  -2.2808812483
O    1.9225292435   3.0307562492   0.5128151894
O    5.0404365281  -0.3993855815   0.6427279819
N   -0.9195606269   0.1966289658  -1.4460197210
N    1.0071769636  -1.1107127436  -1.3668585081
N    1.4218122282   0.9805663390  -0.4346779029
N    3.0105414774  -0.7591699220  -0.3565131432
C   -3.2468501354  -1.0304470495  -0.6138506381
C   -3.1650906133  -1.0986554470   0.7781464798
C   -3.9792084386  -1.9597061709  -1.3345146363
C   -3.8395995808  -2.1187767596   1.4342491820
C   -4.6317172100  -2.9834064552  -0.6642703612
C   -4.5645152131  -3.0598430185   0.7162769915
C   -2.2945280238  -0.2009423975   1.5950153527
C   -0.3114789606  -0.9922485297  -1.7371682583
C    1.8344210405  -0.2494494525  -0.6881463815
C    2.2656955584   1.7641422446   0.2113811598
C    3.8304215509   0.0512222312   0.2778626696
C    3.5247693322   1.3611603494   0.6068140482
C   -2.2415178856   1.2620283232   3.4307472607
C    0.7124420483   3.5874579568   0.1591432834
C    5.4145970329  -1.6890848763   0.3139308057
H   -4.0536008777  -1.8937281447  -2.4097974138
H   -0.3987228588   0.8884151099  -0.8988512978
H   -3.7891936716  -2.1926780547   2.5121279632
H   -5.1965016001  -3.7132897241  -1.2267342323
H   -5.0784518617  -3.8518071711   1.2430176610
H    1.4080654912  -2.0170455435  -1.5718698424
H    4.2112478790   2.0110621326   1.1281481036
H   -1.5515236267   0.6642940341   4.0249224906
H   -2.9800679273   1.7179053906   4.0823309041
H   -1.6919302206   2.0407467645   2.9045739880
H    0.7138268456   4.6141357056   0.5149141012
H    5.1864128201  -1.9741965494  -0.7111093589
*