! 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    0.5801581083  -0.3110780733   0.9954181002
F    4.6689465995  -3.1339734166  -2.0467485428
F    2.9139759350  -3.8418177786  -1.0288418470
F    4.8347545131  -3.9613563089  -0.0668348717
O    0.8171189494  -1.6719698338   0.5615652507
O    0.3510037641  -0.0651642846   2.4089852449
O   -0.1522039434  -0.0174573864  -1.8650757790
O   -4.4981087234   1.2351775591   2.4908899790
N   -0.8139067183   0.2698505472   0.2855557182
N   -2.2788766763   0.6353274099  -1.4835421570
N   -4.5003406400   1.1489100097  -1.4647693588
N   -3.3308835388   0.9407716818   0.5624242458
N   -5.6266083129   1.4380357675   0.5827339406
C    2.8458189283   0.4462872179  -0.4919464551
C    3.0394240750  -0.8968557193  -1.1435651795
C    1.8459038147   0.7933304920   0.4232160960
C    3.8674703741  -1.8202850703  -0.2479349482
C    3.7787271567   1.4387114372  -0.7969263131
C    1.7765621427   2.0671207898   0.9878476766
C    4.0687558021  -3.1828446227  -0.8460764999
C    3.7219938902   2.7046799536  -0.2423711385
C    2.7117490269   3.0258619055   0.6525753611
C   -1.0156149678   0.2689900493  -1.0633965743
C   -3.4061329504   0.9172706874  -0.7612492825
C   -5.5892382976   1.4047714812  -0.7424747066
C   -4.4696602731   1.2004411839   1.1806301832
C   -6.8549366904   1.6371909908  -1.4825553435
C   -3.2894400942   0.9950662049   3.2154902320
H    2.0896349265  -1.3517351838  -1.4061028535
H    3.5749087463  -0.7267642988  -2.0779403274
H    4.8505461886  -1.3822221367  -0.0652848405
H    3.3913331122  -1.9494467481   0.7241297748
H    4.5691582817   1.2026332871  -1.4982687053
H    0.9925662824   2.3224343807   1.6878110543
H    4.4658918285   3.4419786305  -0.5123817312
H    2.6522038514   4.0121518705   1.0906868944
H   -1.6047614106   0.5233700477   0.8929506177
H   -2.3971549633   0.6364607174  -2.4888763917
H   -7.6019412291   2.1156362890  -0.8554867705
H   -6.6821109136   2.2402196209  -2.3717386690
H   -7.2557012983   0.6775036801  -1.8164636204
H   -2.5348242208   1.7475660221   2.9882781796
H   -2.8977369234  -0.0023297852   3.0176292974
H   -3.5578929576   1.0672332292   4.2649950193
*