! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -0.7473589761   1.0655596597  -2.7444808536
Cl  -3.6995214664   3.3843724169   1.0591001960
F    4.0546714238  -1.1145880667   0.9191668467
F    3.4270927189  -0.5116976110  -1.0533185050
F    3.3477810576   2.1065341059  -0.2723253589
F    5.2689641604   1.1290073052   0.0882668065
O    2.0650005925  -0.1329399232   0.6788083198
N   -1.5443766565  -2.6593501796  -0.0436964164
N   -1.1266319077  -3.2559082706   1.0743761582
N   -3.3581745929  -3.0807550063   1.0691412524
C    0.1792908289  -0.9380819437  -0.5901529385
C   -0.6149641213  -2.1749005577  -1.0332466245
C    1.2327509763  -1.2832151757   0.4540583576
C   -0.7530631508   0.1729044508  -0.1735308690
C   -1.2426836456   1.1096737661  -1.0825397394
C   -1.2300657261   0.2642845042   1.1325987185
C    3.3291217926  -0.1745904216   0.2579370877
C   -2.1405743073   2.1021554845  -0.7191547840
C   -2.1325666366   1.2369138635   1.5269593375
C   -2.8743811635  -2.5536005239  -0.0302165587
C   -2.5777349011   2.1552755186   0.5922022643
C    3.9795121763   1.1880453072   0.4911799311
C   -2.2479316934  -3.4923140176   1.7090330807
H    0.7229036263  -0.6326250216  -1.4865664074
H   -1.1900473840  -1.9336452129  -1.9261848283
H    0.0662944105  -2.9836211039  -1.2995745771
H    0.8124391796  -1.5535250697   1.4197223319
H    1.8119098068  -2.1438631638   0.1145780753
H   -0.8959151711  -0.4411836053   1.8818923972
H   -2.4915888847   2.8178550611  -1.4494591582
H   -2.4793884137   1.2716242099   2.5503226856
H   -3.4360571045  -2.1029056766  -0.8337292019
H    3.9384647999   1.4910865663   1.5382945997
H   -2.2652359685  -3.9847561518   2.6690162768
*