! 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   -2.5821507713   0.3282858160  -1.5080374679
F    0.5774047649   3.5455023444  -1.2359036675
F   -0.3313495228   2.9322003524   0.6302174970
F    5.6951333768  -1.9866033837  -0.6539829573
F    6.3443596344  -1.9827685902   1.4062923283
O   -3.0210796526   0.2133371228  -2.8822811099
O   -2.8454891646   1.5485739574  -0.7676141892
O   -2.9757276274   0.5150685895   2.4995532071
O   -1.0965085038  -0.1015031829   1.4527106875
O   -0.8935814310  -1.9459919995  -2.2493622101
O    1.9080402962   3.0283093445   0.4968523780
O    4.9834581575  -0.4321174525   0.7741559515
N   -0.9238896927   0.1741169249  -1.4540487633
N    0.9975756266  -1.1386950226  -1.3275148343
N    1.4126578300   0.9677557803  -0.4303673195
N    2.9814883188  -0.7853460836  -0.2808058566
C   -3.2481114538  -1.0364064340  -0.5917311155
C   -3.1643137897  -1.0695152085   0.8014355227
C   -3.9790606737  -1.9856962092  -1.2874686431
C   -3.8357806760  -2.0738470525   1.4841172363
C   -4.6277138961  -2.9940094654  -0.5905610337
C   -4.5588253227  -3.0350252415   0.7913337823
C   -2.2914985027  -0.1529703923   1.5946726260
C   -0.3159599182  -1.0222848904  -1.7152599453
C    1.8169060937  -0.2720106709  -0.6457634705
C    2.2451159289   1.7528041086   0.2284996689
C    3.7883968238   0.0249832108   0.3700095523
C    3.4849647298   1.3414765609   0.6733321451
C   -2.2330381480   1.3524333613   3.3951675048
C    0.7142105810   3.5909791414   0.0996935664
C    5.2908302206  -1.7698023520   0.6091505952
H   -4.0556616984  -1.9464882371  -2.3639645719
H   -0.4065712580   0.8749339622  -0.9154793750
H   -3.7824621205  -2.1208761710   2.5633476665
H   -5.1908499849  -3.7395984668  -1.1337764232
H   -5.0691121841  -3.8151767545   1.3388556258
H    1.3966641037  -2.0505389373  -1.5102388756
H    4.1590629187   1.9903589316   1.2117975501
H   -2.9698506771   1.8276615569   4.0346173940
H   -1.6778326817   2.1152031251   2.8524333775
H   -1.5478769516   0.7644172075   4.0040581693
H    0.7149976801   4.6224152713   0.4413568992
H    4.4795557030  -2.4486088341   0.8644221710
*