! 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  -4.5787677543   1.9903797919   0.5121826190
F   -2.6202645778  -2.3376450194  -1.4963855095
F   -0.5224409876  -1.9140722927  -1.6807187219
F   -1.2541299984  -3.0309189365   0.0057003347
O    2.4223784428   1.5939834576  -0.1735135468
N    2.7580700846  -1.2628215180   0.4262375473
N    0.5441119177  -0.9154396539   0.8277139415
N    4.1197443546  -2.7620986104   1.3022873854
C    1.5791214176  -0.5570499412   0.1945359104
C    1.6705259113   0.5780743297  -0.7895252772
C    2.3966071541   2.8219130221  -0.8855719728
C   -0.6499565423  -0.2106123249   0.7052876286
C    1.1420108433   3.6394264582  -0.6246432719
C   -1.7153246490  -0.7230742991  -0.0427141114
C   -0.8246256742   0.9897512129   1.3886305790
C   -2.9226225052  -0.0418159129  -0.1043108935
C    3.9924969061  -1.0672571891  -0.1640038263
C    1.1747449203   4.9495256810  -1.3974431481
C    2.9079620542  -2.3026194762   1.3038476733
C   -1.5321531415  -2.0013494966  -0.8002896882
C   -2.0276950204   1.6697201971   1.3344652228
C   -3.0698143613   1.1474856968   0.5875337720
C    4.8060601079  -1.9977237497   0.3867571415
H    0.6604897535   0.9061669236  -1.0476677668
H    2.1362133887   0.2324949691  -1.7212460842
H    2.5177958548   2.6410732092  -1.9612474204
H    3.2744384683   3.3799769721  -0.5538012131
H    0.2488536534   3.0767838389  -0.9094083976
H    1.0601647847   3.8377914330   0.4468886490
H   -0.0094620566   1.3897580330   1.9765032441
H   -3.7463179953  -0.4252109883  -0.6894106852
H    4.1862479572  -0.3106568663  -0.9032269502
H    1.2014270961   4.7764766749  -2.4746739127
H    0.2921640326   5.5522027591  -1.1844672098
H    2.0504636688   5.5469154997  -1.1374081123
H    2.0937926902  -2.6683267429   1.9059730885
H   -2.1431238230   2.6016617387   1.8703571792
H    5.8504388765  -2.1620015486   0.1779525115
*