! 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    1.1437995977   1.5181368329   1.5869654357
F    0.5204094672  -2.8195757083  -2.5546640053
F    0.0289857913  -2.6249865705  -0.4698825116
F    1.8341332250  -3.6351854253  -1.0569190334
O    1.1739654056   0.4711127754   2.5937002070
O    0.8778492410   2.8778669912   2.0119670940
O    0.2168788205   2.7021713520  -0.9574144677
O   -3.2679921450  -1.7461536718   1.7761882758
N   -0.0567601463   1.0156909034   0.5375445986
N   -1.6433815737   1.4312179341  -1.1159525898
N   -3.7516676269   0.6024660916  -1.3701710392
N   -2.3876641606  -0.1891733384   0.3715861019
N   -4.5766974974  -1.0087485852   0.1342688657
C    3.1266104410   0.3283016107   0.0477468302
C    2.4448773664  -1.0146418254   0.0562657446
C    2.6234400592   1.5034119069   0.6150266360
C    1.7897280886  -1.2812758062  -1.3011318953
C    4.3375404482   0.4304116067  -0.6328076932
C    3.2887453646   2.7198536162   0.5014091879
C    1.0485647668  -2.5874530251  -1.3452502104
C    5.0134159862   1.6332741910  -0.7499740740
C    4.4870486543   2.7844957491  -0.1848691108
C   -0.4475306895   1.7862656835  -0.5255082452
C   -2.6253172233   0.5803239961  -0.6819333579
C   -4.7030326245  -0.2127308617  -0.9179911311
C   -3.3989844158  -0.9575665973   0.7372305808
C   -6.0038966994  -0.1955169400  -1.6323394262
C   -2.0297687895  -1.7562404550   2.4891632539
H    3.2032761947  -1.7736182164   0.2515455218
H    1.7194445677  -1.1018770506   0.8595999099
H    1.0863730860  -0.4868498624  -1.5560266771
H    2.5436015813  -1.2936806081  -2.0903018535
H    4.7605239814  -0.4611876604  -1.0790697790
H    2.8810150433   3.6169432751   0.9425505324
H    5.9531802484   1.6703842123  -1.2836764713
H    5.0032949868   3.7297888968  -0.2741089955
H   -0.7172506012   0.3007570943   0.8748146072
H   -1.8889748944   1.9929471850  -1.9215477978
H   -6.5339475229   0.7277787244  -1.3895075818
H   -5.8548447391  -0.2043896870  -2.7106521294
H   -6.6301391949  -1.0344776502  -1.3433922396
H   -1.2100706795  -2.0948235263   1.8567459387
H   -2.1650022072  -2.4644492262   3.3006512208
H   -1.8009195535  -0.7767397232   2.9078572701
*