! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -0.8841883003   0.9540190151  -2.8649762662
Cl  -3.2107127952   3.5861053776   1.1589330006
F    4.0339034797  -1.2990684559   0.1927682252
F    3.1058208587  -0.3383591659  -1.5023579097
F    4.0414123211   1.0799220707   1.5674911090
F    3.0775376575   2.0608910746  -0.1307702295
O    2.0180998377  -0.3779823572   0.4526904054
N   -1.6173758552  -2.7848602083   0.0246206475
N   -1.0661629024  -3.6053364340   0.9230212040
N   -3.1929240626  -3.1702736494   1.4660628400
C    0.0587623197  -1.1046949461  -0.7715800755
C   -0.8627767731  -2.2877245143  -1.1000607959
C    1.1816983040  -1.5114896275   0.1738959546
C   -0.7347670369   0.0832946697  -0.2897862910
C   -1.2120684022   1.0581668545  -1.1644223478
C   -1.0742982273   0.2300860061   1.0534055911
C    3.2009348603  -0.2797758065  -0.1466818991
C   -1.9680363090   2.1382639726  -0.7357173866
C   -1.8342935076   1.2913585530   1.5141730805
C   -2.8832736248  -2.5296062536   0.3642796671
C   -2.2714807404   2.2434354736   0.6097267356
C    3.8817876149   1.0361708166   0.2261291076
C   -2.0465686078  -3.8101399305   1.7661278498
H    0.5233756860  -0.8571445568  -1.7272560544
H   -1.5741893491  -1.9872170888  -1.8680039079
H   -0.2810601917  -3.1142013808  -1.5081173695
H    0.8204694615  -1.8570933523   1.1403801227
H    1.7463778692  -2.3370340751  -0.2640674493
H   -0.7362392045  -0.4976340167   1.7797563203
H   -2.3113062670   2.8816338439  -1.4416243094
H   -2.0754267252   1.3700263568   2.5650385495
H   -3.5315167956  -1.8918929087  -0.2160260950
H    4.8523088393   1.1459812172  -0.2605135995
H   -1.9317373851  -4.4492833430   2.6279055430
*