! 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  -5.9560711786  -3.8419639008  -0.0598386722
F    0.9188190474  -2.1582044730   1.4544521820
F    2.2521455400  -2.3833837125  -0.1932982786
F    2.7810423375  -1.1353108095   1.4971158985
O    3.9757269070  -0.3714661557  -0.7909003574
O   -2.3779537183   0.7795638491  -0.4107840067
N    3.1343028470   2.7974922103   0.7694109672
N    3.2676163813   3.9516386272   0.1123242920
N    1.6963007238   4.1334078216   1.6957580129
C    3.3136246008   0.8687037158  -0.8184268654
C    1.7922296908   0.7181430817  -0.6868236751
C    3.8801821699   1.6193419187   0.4120384588
C    3.7153736513   1.6022607035  -2.1003021385
C    1.1156151443  -0.3083069022   0.0011402374
C    0.9988291200   1.7197183528  -1.2469094915
C   -0.2763261694  -0.3036816134   0.0825249896
C   -0.3799353766   1.7274581274  -1.1735896116
C   -1.0228242515   0.7033023073  -0.5058387736
C    1.7845149206  -1.4845542311   0.6792563413
C    2.1901121171   2.9193926347   1.7058173133
C    2.3882497758   4.7220275090   0.7014688947
C   -3.1549517119  -0.3417231932  -0.3298478938
C   -2.9328941204  -1.4632016171  -1.1185747282
C   -4.2395813153  -0.2923792140   0.5335573394
C   -3.7950794445  -2.5445428530  -1.0290438108
C   -5.1099837021  -1.3673702515   0.6123270823
C   -4.8776487592  -2.4907318567  -0.1650282463
H    3.8841254692   0.9647729174   1.2798768636
H    4.9130705750   1.9092914079   0.2181551823
H    4.8013759929   1.5612418433  -2.1963478522
H    3.2779364952   1.1280225219  -2.9811646375
H    3.4415572715   2.6541833146  -2.1127582242
H    1.4598660679   2.5374571279  -1.7798864189
H   -0.7909351704  -1.0864407169   0.6200339033
H    3.9172303408  -0.7731573717  -1.6648011315
H   -0.9474512056   2.5280113828  -1.6301520709
H    1.9085897173   2.1131242363   2.3655374048
H    2.2452491519   5.7504280978   0.4076833312
H   -2.1005395145  -1.5077208180  -1.8092535190
H   -4.4104570766   0.5882459961   1.1392484166
H   -3.6210348724  -3.4189854593  -1.6411824528
H   -5.9573037654  -1.3239846222   1.2829481931
*