! 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  -0.7358361136   1.5400156998   2.9407887664
F    5.5716214365  -0.5653930767  -0.1741026780
O   -0.5053981168   0.8842326884  -1.3669190234
N   -0.4590547880  -2.1889692695  -1.1406688325
N   -1.1623655821  -2.1972143405  -2.2758119760
N    0.5298626287  -3.6673162730  -2.3881949677
C    0.0221635054   0.0597354568  -0.3457118030
C   -0.6061015338   1.3517397285  -0.0362752158
C   -0.7264478845  -1.2307444835  -0.0952201456
C    1.5078328454  -0.0670714945  -0.3123111832
C   -1.9697867115   1.4535071863   0.5425324237
C    2.2543679461  -0.0591524568  -1.4842039649
C    2.1526457878  -0.2534913559   0.9065893588
C   -2.1375208451   1.5669687569   1.9184153966
C   -3.1059088893   1.4497310778  -0.2588990543
C    3.6312575993  -0.2267862319  -1.4449793421
C    3.5267327009  -0.4215136215   0.9637471190
C    0.5484335176  -3.0572254562  -1.2287770980
C   -3.3906826485   1.6839500312   2.4948964333
C   -4.3689589942   1.5641016349   0.3022007231
C    4.2404898702  -0.4045318440  -0.2193644430
C   -4.5109757264   1.6836569228   1.6767237045
C   -0.5361659162  -3.1008952564  -2.9823389723
H    0.0657671447   2.1738863887   0.2062746210
H   -1.8024856963  -1.0781893731  -0.0459810640
H   -0.4132405601  -1.6616413636   0.8550182759
H    1.7713839838   0.0794582825  -2.4423569877
H    1.5839605459  -0.2626435155   1.8282189083
H   -3.0012844500   1.3577438385  -1.3313798168
H    4.2169190769  -0.2205571677  -2.3545123651
H    4.0313541356  -0.5598317544   1.9104843611
H    1.2516595659  -3.2248155984  -0.4284793868
H   -3.4936681476   1.7681289229   3.5678985242
H   -5.2418270970   1.5605286655  -0.3360158993
H   -5.4933233858   1.7736282303   2.1198088207
H   -0.8672061185  -3.3675054265  -3.9734984486
*