! 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   -1.7014051170   1.2978235776  -0.2929292180
F    0.1424179970  -2.9584481368  -2.8700451085
F    1.1847055146  -2.7505666459  -1.0025251007
F   -0.0228263955  -4.4939304680  -1.3707129664
O   -1.5884654524   1.8665009612  -1.6204198370
O   -2.6441598978   1.8467275402   0.6595224995
O   -4.6752317600  -0.3312228757   1.6757790561
O   -5.0686891522   0.4277104148  -0.3978756652
O   -0.6670801179   0.1248985152   2.1635773718
O    3.2952268706   2.9309503988  -1.7992900883
O    6.0251827107   1.1407813609   1.5020134014
N   -1.0156660900  -1.1520903178  -0.8953621454
N   -0.1677427892   1.3443355621   0.3187694362
N    1.5001339155   0.6275517176   1.7666070569
N    2.3794628088   1.7806719972  -0.0488977937
N    3.7577254047   0.8784573288   1.6403013011
C   -2.0219882073  -0.4627117151  -0.4187187619
C   -3.2279842171  -1.0092203008  -0.0095383621
C   -1.1417360573  -2.4640117287  -0.9773361421
C   -3.3406698386  -2.3906958871  -0.0885543899
C   -2.2820187516  -3.1376119577  -0.5752818456
C   -4.4170273255  -0.1981269042   0.3964915120
C    0.0513932676  -3.1769167087  -1.5555228686
C    0.1642739535   0.6669345051   1.4652442330
C    2.5899363635   1.1228816188   1.0778263907
C    3.4528783998   2.2567751080  -0.6735985290
C    4.8200097200   1.3517264578   1.0015333541
C    4.7339525498   2.0712832102  -0.1848156512
C   -5.8244703552   0.3574074056   2.1901405243
C    1.9783458253   3.1211006443  -2.3138979410
C    6.1546310018   0.3921159979   2.7094218512
H   -4.2466020667  -2.8899194733   0.2266306154
H   -2.3632040459  -4.2125334776  -0.6321674791
H    1.7197192795   0.1301635089   2.6196465072
H    5.6060160292   2.4575880477  -0.6909188397
H   -5.7372572665   1.4328584793   2.0379908651
H   -6.7397153092  -0.0080082058   1.7254500482
H   -5.8452288229   0.1409470088   3.2536265158
H    1.5096908946   2.1720839935  -2.5776706776
H    2.0991390386   3.7141650215  -3.2162591801
H    1.3463893562   3.6691208980  -1.6143646775
H    5.6526061529   0.8818398541   3.5434540598
H    5.7679456114  -0.6206501297   2.5988867221
H    7.2211679952   0.3470006441   2.9118591999
H    0.6048214232   1.6974127484  -0.2673825656
*