! 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    1.0628583317   1.0032567248  -1.5956305781
F    2.8230848295  -4.2938821825   0.3304602864
F    0.8848465780  -3.3665800545   0.4585370910
F    2.1838159158  -3.3795348666   2.1713031853
O    0.9920582396   2.0180236885  -2.6281881462
O    1.1115586957  -0.3935449899  -1.9919453724
O   -0.0939962382   3.2677865659  -0.0584362922
O   -3.4436782418  -1.9967138809  -0.7564322439
N   -0.3047333141   1.0839451481  -0.6426620964
N   -2.0470798295   2.2253910233   0.3928579627
N   -4.1823572292   1.5530030738   0.8266193696
N   -2.6766582591   0.0691603857  -0.1973527517
N   -4.8861380277  -0.6111799703   0.2213594416
C    2.7545433872   0.5531668624   0.5568543414
C    2.0484528283  -0.7179429841   0.9508871212
C    2.4048987475   1.3882983773  -0.5097761864
C    2.7760058035  -1.9397056225   0.3873625528
C    3.8675540672   0.9274206334   1.3058917704
C    3.1217977957   2.5430695812  -0.8062676152
C    2.1688025192  -3.2384188083   0.8360115920
C    4.6004750925   2.0653770159   1.0122585287
C    4.2265684639   2.8793133705  -0.0458286399
C   -0.7620437489   2.2590583170  -0.1124939569
C   -2.9970937951   1.2416350518   0.3352717611
C   -5.0975985414   0.5880637317   0.7447014234
C   -3.6586875256  -0.8139952130  -0.2329824925
C   -6.4484957513   0.8936454320   1.2795491210
C   -2.1500920040  -2.2940796662  -1.2836681578
H    2.0429182406  -0.7615716102   2.0407356971
H    1.0046697639  -0.7201419202   0.6457889949
H    2.7705798719  -1.9182104142  -0.7025241186
H    3.8211859517  -1.9349899481   0.7034499057
H    4.1632519245   0.3070249115   2.1430642780
H    2.8286196629   3.1815063139  -1.6261928329
H    5.4616826559   2.3184635827   1.6156188268
H    4.7859486093   3.7743888431  -0.2789148305
H   -0.9675192788   0.2969804924  -0.6925615627
H   -2.3524776500   3.0957281980   0.8100813811
H   -6.3848493423   1.1326948583   2.3417366267
H   -6.8592897796   1.7713627183   0.7798648671
H   -7.1295652885   0.0584147107   1.1458119707
H   -1.3901858280  -2.2702298148  -0.5035163168
H   -1.8811817776  -1.6137477030  -2.0910502133
H   -2.2191762764  -3.3023619357  -1.6797855800
*