! 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   -1.8356636156   1.4649792065  -0.4865298609
F    1.0216603680  -2.8490915154  -1.6900816462
F    1.5560112765  -2.0773440841   0.2437335748
F    0.7163371822  -4.0538963550   0.0675300626
O   -1.6939026155   1.8221517926  -1.8827115723
O   -2.8796973307   2.0550457459   0.3211676237
O   -5.1605517040  -0.4865481226   0.9457884502
O   -4.8099392802   0.3469223094  -1.1064452672
O   -0.9189801442   0.9481646251   2.2338742453
O    5.8108193251   1.0508659398   1.3812203592
O    3.2134301718   2.0823384255  -2.3256930763
N   -0.7828441599  -0.9191158884  -0.4376342137
N   -0.3529899731   1.7674781859   0.1887397194
N    1.2703752018   1.2091092813   1.7608360242
N    3.5340869583   1.1166690752   1.5749567155
N    2.2229575932   1.6576378330  -0.3101372408
C   -1.9443990973  -0.3263317109  -0.3420064434
C   -3.1405052319  -0.9810754514  -0.0904155777
C   -0.7261288312  -2.2267559367  -0.2632272434
C   -3.0658106129  -2.3522213355   0.1102251482
C   -1.8400478995  -2.9935365924   0.0260832634
C   -4.4584453836  -0.2857080422  -0.1443744399
C    0.6537402353  -2.8108201624  -0.4068732860
C   -0.0599774146   1.2809096514   1.4451286991
C    2.3877709787   1.3342040888   0.9601352832
C    4.6248650761   1.2436181133   0.8309852642
C    3.3245207109   1.7698936867  -1.0463420435
C    4.5883644385   1.5730522761  -0.5188086494
C   -6.4665271459   0.1046853780   1.0072549533
C    5.8880565688   0.7195603851   2.7663699012
C    1.9124501299   2.2705430179  -2.8792285753
H   -3.9573392766  -2.9252954150   0.3232771884
H   -1.7773412071  -4.0596086265   0.1859569318
H    1.4556391491   0.9120441556   2.7101008280
H    5.4839754026   1.6719138860  -1.1140627434
H   -6.4092049427   1.1877993218   0.9112782254
H   -7.1162057425  -0.3007564706   0.2334863855
H   -6.8597654668  -0.1521177386   1.9852981150
H    6.9476195722   0.6193981091   2.9837526238
H    5.3875788782  -0.2231928560   2.9839745399
H    5.4674086529   1.5053759656   3.3926514381
H    1.3959929421   3.1117702349  -2.4165048146
H    2.0699194770   2.4916363828  -3.9308032075
H    1.3060363117   1.3685018439  -2.7970406493
H    0.4514964048   1.8550167858  -0.4534651784
*