! 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
Cl  -1.1902499082   0.0594880226   2.5595291404
F    5.4507614840   0.0086415869  -2.0194496860
F    5.3155608152  -1.2192765818  -0.2656845579
F    3.7587689057  -1.2832732386  -1.7499520538
F   -6.1716133901   1.0040885557   0.1532417800
F   -4.7453931218   2.4462534002  -0.5519707068
F   -5.5066097138   0.9424962977  -1.8904873545
O    2.6364355962  -1.8379714373   1.0454110405
N    0.9131936593  -1.1581366296  -0.2570047582
N   -2.7964300378  -1.7839014490  -0.5515636796
C   -0.9227557635  -2.4993467791   0.7654346981
C    0.1977145378  -2.4158148333  -0.2700851234
C   -2.0050074031  -1.5051560677   0.4813696062
C    2.6619507700   0.3987903619   0.2652768823
C    2.0715060087  -0.9775423174   0.3835387691
C    3.8714977566   0.6407334607  -0.3931413484
C   -2.1879906247  -0.3243525739   1.2008315316
C   -3.9877244731   0.2484222652  -0.2382887947
C   -3.1854172330   0.5641827765   0.8452654897
C    2.0232794580   1.4465465400   0.9143791479
C    4.4185435371   1.9164331715  -0.3882354054
C   -3.7547734475  -0.9449545573  -0.9038279596
C    4.5975649835  -0.4617949671  -1.1056826654
C    2.5807310861   2.7171684159   0.9301363673
C    3.7791248123   2.9513175006   0.2787318823
C   -5.1022108708   1.1606722084  -0.6375710199
H   -1.3523737100  -3.5004487166   0.7035561763
H   -0.5144085873  -2.3856946313   1.7677586719
H    0.9040476399  -3.2250235349  -0.0967352268
H   -0.2128592963  -2.5579012482  -1.2690917700
H    0.5371511772  -0.3912881165  -0.7928897246
H   -3.3210397531   1.4788328636   1.4067635737
H    1.0885112593   1.2688536942   1.4294060721
H    5.3465354988   2.1240560152  -0.9022804635
H   -4.3569801047  -1.2455625603  -1.7514825252
H    2.0762312946   3.5184949359   1.4522035134
H    4.2210317136   3.9378691683   0.2802303418
*