! 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   -1.9070079928   1.3805884226   0.3969605929
F    0.7813216294  -3.9272687341  -0.9503371056
F    0.9522527587  -2.2779895672  -2.3230505618
F    1.5829802241  -2.0430586125  -0.2813077042
O   -1.9802757854   2.2261383799  -0.7764504428
O   -2.8163470440   1.5702937459   1.5048502770
O   -4.6433641685   0.6414386791  -0.4984804439
O   -5.3560407655  -1.0477117225   0.7921130377
O   -0.5606757018   0.0985574902   2.6840635309
O    2.7511729632   2.6763575194  -1.9601100754
O    5.8870308042   0.4629204377   0.6491715423
N   -0.8100553019  -0.8553975606  -0.4001977796
N   -0.3406045486   1.5206024720   0.9173723719
N    1.5183750569   0.5809869884   1.9557185807
N    2.1148027940   1.6561237578  -0.0159471389
N    3.6988299792   0.5180227865   1.3105678893
C   -1.9809113397  -0.3540986789  -0.1061044439
C   -3.1618979382  -1.0860899541  -0.1102034925
C   -0.7232738331  -2.1394301596  -0.6968214965
C   -3.0528954583  -2.4408075416  -0.3874662327
C   -1.8154683989  -2.9866070166  -0.6880951649
C   -4.5086640716  -0.5015146033   0.1344748516
C    0.6615447439  -2.6052709947  -1.0608636680
C    0.1523915036   0.6864265155   1.8999365121
C    2.4798402059   0.9376240638   1.0312006345
C    3.0677655060   1.9715256078  -0.8877741768
C    4.6406147085   0.8476682253   0.4367049910
C    4.3850948568   1.5870609661  -0.7122091449
C   -5.8601809114   1.3723254467  -0.3044736103
C    1.3915912495   3.0600048940  -2.1573184642
C    6.1890387545  -0.3052695800   1.8121041113
H   -3.9324441577  -3.0695986286  -0.3851325018
H   -1.7276623860  -4.0401558985  -0.9076665699
H    1.8551358123   0.0075181735   2.7182385463
H    5.1605717112   1.8446111607  -1.4183797160
H   -6.7177322091   0.8028677603  -0.6586217747
H   -5.9975479359   1.6318779339   0.7440603477
H   -5.7579084976   2.2777885359  -0.8932903956
H    1.3760222805   3.6160723031  -3.0901952555
H    1.0351589838   3.7064683115  -1.3553184945
H    0.7387652746   2.1921724744  -2.2548123233
H    5.6497956821  -1.2517409077   1.8210079819
H    7.2560329438  -0.5027908441   1.7617879814
H    5.9698062228   0.2448145559   2.7264474413
H    0.3541636674   1.8350541631   0.2201850687
*