! 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  -5.2675273361   1.0977133994   0.7152999091
F    0.0231311293  -0.2062694312  -1.8965259885
F   -0.7979960271  -2.1836758508  -1.6944595647
F   -1.8901873255  -0.6699274117  -2.7551238164
O    2.2234632268   1.3027623098  -0.1821363565
N    2.4213688461  -1.2572629935   0.9063916764
N    0.1519927595  -1.2255951791   0.8557033886
N    4.5587917400  -1.7134347132   1.2088334224
C    1.2205841918  -0.5495293159   0.8669208386
C    1.3358188442   0.9504064822   0.8398798233
C    2.3936767252   2.7019382073  -0.2993814862
C   -1.1005613645  -0.6231121990   0.8010483354
C    3.3988188751   2.9885954444  -1.3935781401
C   -1.7827049844  -0.4731793922  -0.4118291104
C   -1.7345616351  -0.2383064178   1.9792415214
C   -3.0643247490   0.0600177561  -0.4358860647
C    2.5716367738  -2.6091960651   0.6672286432
C    3.5955884107   4.4845357130  -1.5848302211
C    3.6622874813  -0.7771909800   1.2272750267
C   -1.1162339970  -0.8837107679  -1.6886903720
C   -3.0118529485   0.2910443383   1.9602148191
C   -3.6685894664   0.4372517596   0.7498230797
C    3.8884445551  -2.8612921230   0.8500504570
H    1.6769736751   1.2996584014   1.8258599455
H    0.3428003249   1.3860678166   0.6851089860
H    2.7404525931   3.1243261972   0.6538068964
H    1.4326667778   3.1812750606  -0.5313110118
H    4.3529998649   2.5180696081  -1.1428111014
H    3.0564237927   2.5385619362  -2.3288937923
H   -1.2205253896  -0.3636741815   2.9226348689
H   -3.5943215050   0.1867934494  -1.3690929222
H    1.7481356849  -3.2379129008   0.3794446324
H    4.3274256280   4.6854143700  -2.3668651063
H    2.6647230810   4.9762896886  -1.8724782567
H    3.9529288728   4.9615640710  -0.6706692405
H    3.8490801481   0.2510610564   1.4867554722
H   -3.4859680901   0.5865258147   2.8858830731
H    4.3985877653  -3.8047114600   0.7429858518
*