! 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  -4.7145093833   1.8417447999  -0.2877918049
F   -0.8512351563  -2.7979178404   0.0115820075
F   -0.1269853989  -1.5928394454   1.6354708843
F   -2.1793368555  -2.2168272434   1.5945170701
O    0.8999988182   1.3195524754   1.0403093491
N    2.7792942826  -1.1783556771  -0.8721372268
N    0.6055511623  -0.5777626774  -1.0827323049
N    4.8105039782  -2.0423987820  -0.9383939761
C    1.6830791116  -0.4152641082  -0.4495042143
C    1.9679633047   0.4851302281   0.7343640228
C    0.9893905072   2.6200333442   0.4721804486
C   -0.6146035324   0.0248524790  -0.8199753704
C    1.8689001071   3.5541870701   1.2830841654
C   -1.5413285529  -0.5486898044   0.0607642016
C   -1.0091088806   1.1311148687  -1.5703024124
C   -2.7995786782   0.0154716374   0.2239632679
C    2.7856263273  -2.0890017838  -1.9098450340
C    1.3638603443   3.7794806023   2.6995171517
C    4.0340859845  -1.2022490434  -0.3275117186
C   -1.1785605908  -1.7841455177   0.8228734582
C   -2.2585398493   1.6975320255  -1.4068687846
C   -3.1463140940   1.1396950470  -0.5017379422
C    4.0386054751  -2.6004033788  -1.9312121706
H    2.8852014268   1.0476107974   0.5262242771
H    2.1884560478  -0.1485596095   1.5985996189
H   -0.0315340696   3.0058751259   0.4382114007
H    1.3476446676   2.5668254456  -0.5627604679
H    2.8979417139   3.1821224378   1.3039312754
H    1.9066460751   4.5054679222   0.7458947918
H   -0.3205111164   1.5581986257  -2.2865003317
H   -3.5141094930  -0.4159131038   0.9104442935
H    1.9203576107  -2.2777105501  -2.5189473063
H    1.3476983642   2.8547762881   3.2770842414
H    1.9996307884   4.4855900038   3.2341458635
H    0.3506703831   4.1867475701   2.6968905281
H    4.3253521202  -0.5917508175   0.5111762089
H   -2.5335721571   2.5672187729  -1.9877212513
H    4.4337861828  -3.3413228630  -2.6070285010
*