! 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   -1.2122437035  -1.3476375170  -0.9920471206
F   -2.5447234534  -2.8396114558   2.0038320233
F   -4.5511098477  -2.0837229157   1.9609826365
F   -3.5818556116  -2.6258119350   0.1270439401
O   -2.1367747813  -1.4593250681  -2.0967658385
O   -0.7181140814  -2.5297106184  -0.3147440848
O   -0.7704819856   0.9436626568  -2.9607824972
O    3.4793298584  -0.7410530954   1.3377655494
O    4.9889749091   3.3301699553  -0.3028408306
N    0.1444957758  -0.5419459188  -1.4718004939
N   -1.4547859985   0.9803833633   0.1737855168
N    1.2330849924   1.4249396815  -2.0548397781
N    2.3532666916   0.3080162234  -0.3524938120
N    3.1072383834   2.3804030059  -1.1880139263
C   -1.9208705611  -0.2433298535   0.2558486329
C   -2.8583118151  -0.6566629941   1.1992450543
C   -3.2963586676   0.3043987096   2.1017398296
C   -3.3832074092  -2.0595520156   1.3191098070
C   -2.8075425916   1.5956304138   2.0207655376
C    0.1190691378   0.6337935512  -2.2025901985
C   -1.8880104178   1.8931031816   1.0332397502
C    2.2742807105   1.3580990515  -1.1513934058
C    3.3653752835   0.2826005822   0.5095148908
C    4.1155414838   2.3387235477  -0.3273650669
C    4.3065869839   1.2943668039   0.5701041900
C    2.4941452946  -1.7714300469   1.3015518335
C    4.8139021450   4.4333495363  -1.1896075360
H    0.9533132808  -0.6233106326  -0.8284165685
H   -4.0154308737   0.0575985990   2.8698571022
H   -3.1360422011   2.3559049914   2.7134856157
H   -1.4806574947   2.8894836791   0.9275788244
H    1.2279766848   2.2527835364  -2.6361375367
H    5.1302607566   1.2750847598   1.2683186252
H    2.7898329299  -2.4884393696   2.0619914635
H    1.5038786005  -1.3876169845   1.5487594534
H    2.4703631369  -2.2734990504   0.3342887320
H    4.8754573095   4.1256765844  -2.2328788961
H    5.6300077162   5.1159708600  -0.9701049616
H    3.8657945957   4.9418885720  -1.0179006830
*