! 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  -5.3604302236   0.9713088492   0.8186429905
F   -0.2636904374  -0.6061875487  -2.0273199776
F   -0.8421095733  -2.4964752821  -1.1796405654
F   -2.1978487928  -1.4318445816  -2.4565810276
O    2.2523362495   2.1129543482   0.1778280712
N    2.5334877592  -0.6018734563   0.9153716033
N    0.2746993014  -0.7591595469   0.8206928069
N    4.0326452219  -2.2053986227   0.6890106417
C    1.2770542400   0.0102382645   0.8965707083
C    1.2658244770   1.5225402779   0.9699377793
C    1.9969256139   2.0209571473  -1.2145268748
C   -1.0320988086  -0.2917300806   0.8024626777
C    3.1763207078   2.5839326186  -1.9745910115
C   -1.8576390229  -0.5628021178  -0.2960730251
C   -1.5809168273   0.3553913794   1.9070875226
C   -3.1861830336  -0.1643397450  -0.2921765858
C    3.7286174512  -0.0903408026   1.3809850827
C    4.4591095777   1.7892916778  -1.7791481911
C    2.7888761952  -1.8842465943   0.5127297959
C   -1.2923795994  -1.2749183414  -1.4869408562
C   -2.9077840008   0.7457282153   1.9200721779
C   -3.7011250806   0.4860931268   0.8160901231
C    4.6270712160  -1.0935438846   1.2407437697
H    1.4444651534   1.8245489017   2.0058426966
H    0.2648192201   1.8808454125   0.7036251876
H    1.0796363446   2.5700927435  -1.4614077216
H    1.8396746492   0.9772459943  -1.5161786843
H    2.9023798820   2.5881011142  -3.0321090159
H    3.3282317550   3.6297723103  -1.6945489537
H   -0.9641425153   0.5422596650   2.7764662110
H   -3.8262578905  -0.3567646986  -1.1414275494
H    3.8366630289   0.9005803728   1.7824332013
H    4.3181180693   0.7414506238  -2.0513491285
H    5.2608649965   2.1864714693  -2.4024121645
H    4.8035411286   1.8147739198  -0.7457188729
H    2.0238206089  -2.5119519887   0.0865782068
H   -3.3118481568   1.2485806039   2.7877806872
H    5.6715109356  -1.0796258096   1.5066793908
*