! 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   -2.3948995165  -0.1578211726  -1.6608139142
F    0.3468664563   4.2812006102   0.9069264229
F    0.0637581845   3.1544611052  -0.9137005341
F    7.0978301095  -1.4660314716   0.3389785370
F    5.3541181793  -2.3878190294   1.2205296677
O   -2.6713401285  -0.6541283571  -2.9912714960
O   -2.6837084916   1.2254669309  -1.3336802768
O   -3.6093423065   1.2578041231   1.9438503709
O   -1.5473160680   0.5843104484   1.4020016956
O   -0.6494514573  -2.5297308706  -1.8431461884
O    1.8578265623   2.8322040599   0.3767142070
O    5.3039424183  -0.2796378899   0.5066133218
N   -0.7661903202  -0.3174093436  -1.3540376157
N    1.1944978382  -1.5260418651  -1.0237929103
N    1.4873528282   0.6750045050  -0.3171040475
N    3.2374921167  -0.9016932834  -0.2586963113
C   -3.2157266067  -1.2009590992  -0.4880012606
C   -3.4040727436  -0.7792359069   0.8305529164
C   -3.7698468167  -2.3849718456  -0.9466128128
C   -4.1604186640  -1.5719844732   1.6811856248
C   -4.5044650000  -3.1764543142  -0.0757446395
C   -4.6995928874  -2.7701499137   1.2326797476
C   -2.7437221875   0.4328094280   1.3974179146
C   -0.1189904846  -1.5184276416  -1.4360521166
C    1.9923774044  -0.5325284679  -0.5135732435
C    2.3134717862   1.5878682368   0.1663036684
C    4.0315701469   0.0319795229   0.2207082396
C    3.6365067195   1.3371475360   0.4624218276
C   -3.0837332279   2.4219068588   2.5947755201
C    0.4970493317   3.0715087735   0.3571282457
C    5.7665772160  -1.5572554683   0.2483380561
H   -3.6461525234  -2.6951298033  -1.9734335918
H   -0.2848120353   0.4677812781  -0.9084881026
H   -4.3167491587  -1.2671895056   2.7069186832
H   -4.9295985204  -4.1044857581  -0.4307990170
H   -5.2770986652  -3.3817361802   1.9116468820
H    1.6470243621  -2.4251705802  -1.1293085122
H    4.3018509717   2.0893870240   0.8582675672
H   -2.3912867652   2.1522187073   3.3904761486
H   -3.9405041094   2.9367576605   3.0172199592
H   -2.5872921835   3.0779832403   1.8799869820
H   -0.0845853272   2.3319044043   0.9053766214
H    5.4787220154  -1.9481046031  -0.7253150924
*