! 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  -0.6498816569   2.6199940129   2.1112243948
Cl   1.1709504657   4.8724068951   0.8801281619
F    5.3079437144  -3.1525846055   0.3689750465
F   -3.6766246377  -3.2889212322  -1.3068136486
F   -5.3437054179  -2.4585056259  -0.1621494761
O   -0.9879440115  -2.8473820104   0.2001058786
N    0.2795150805  -1.2845264128  -0.8488786343
N   -3.3130722040   0.9097914160  -0.5309703098
N   -4.1540091260  -0.1103210799  -0.3885906886
C    2.5078518931  -0.9028238426   0.0182312211
C    1.5503044538  -1.7834163756  -0.5027874724
C   -2.0358474645  -0.8582807937  -0.4828631206
C    2.1902320788   0.5218736533   0.2590408156
C   -3.3996941399  -1.1853053877  -0.3486024080
C   -0.8900112133  -1.7619278097  -0.3525951554
C   -2.0387639999   0.5190402741  -0.5989299382
C    3.7883511046  -1.3748930703   0.2909653637
C    1.8734213386  -3.1190258786  -0.7085977955
C    1.0842618293   0.8829678174   1.0254245768
C    2.9875818841   1.5268273779  -0.2814167837
C    4.0756823166  -2.7074396827   0.0843903813
C    3.1380065171  -3.5944637634  -0.4033340265
C   -3.9912760638  -2.5449308440  -0.2070621403
C   -3.8129956679   2.2646843394  -0.5806672266
C    0.7633241160   2.2166913822   1.2127783044
C    2.6802676254   2.8612032068  -0.0777014890
C    1.5613443566   3.2126846179   0.6602742771
H    0.2618654958  -0.3803746078  -1.2956981458
H   -1.2388744354   1.2319239484  -0.7192398520
H    4.5447971470  -0.7112373328   0.6897599964
H    1.1451322319  -3.7930953880  -1.1347837265
H    0.4699755515   0.1268379479   1.4961169121
H    3.8484531909   1.2720048339  -0.8847995041
H   -3.6480077906  -3.0796914431   0.6765850294
H    3.3903585919  -4.6340393655  -0.5626308601
H   -4.4529779982   2.4537616232   0.2769667492
H   -2.9731639887   2.9518409346  -0.5534958460
H   -4.3760026847   2.4310410443  -1.4959613634
H    3.3043882728   3.6318387255  -0.5082126055
*