! 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  -7.1146056793  -0.5492132840  -1.2699134919
F    3.5739836539  -2.3969421194  -0.7305434752
F    4.0051064901  -1.1865326986   1.0145387491
F    2.7410674108  -2.8889475217   1.1681953216
O    4.1590806949   0.1891335109  -1.2865320081
O   -1.7026935505  -1.5682817850   0.7190349817
N    2.6158902801   2.6470475227   0.8977794625
N    2.1336333809   3.7888537900   0.4016080192
N    1.0696496194   3.2517579956   2.2962189379
C    3.0866073616   1.0397821588  -0.9641007286
C    1.8390760500   0.2630415063  -0.5261532426
C    3.6274760664   1.8801035979   0.2180661649
C    2.8099426531   1.9434081349  -2.1683591403
C    1.8208906062  -1.0095706925   0.0791688084
C    0.6064084874   0.8955549880  -0.6810390648
C    0.6099283054  -1.5895760519   0.4447942902
C   -0.5977274481   0.3396641082  -0.2891240656
C   -0.5924127987  -0.9254932315   0.2672933634
C    3.0433612005  -1.8525863177   0.3693290177
C    1.9682637894   2.3372139983   2.0234767655
C    1.2082313878   4.1121598708   1.2694366148
C   -2.9400986534  -1.2827558097   0.2124146646
C   -3.1843139747  -1.2211639244  -1.1533709119
C   -3.9758013156  -1.1259636587   1.1207014197
C   -4.4720833703  -0.9882906875  -1.6087115241
C   -5.2666918546  -0.9077004555   0.6658724580
C   -5.5049150871  -0.8333169601  -0.6968732483
H    4.0876857561   1.2286831164   0.9576351042
H    4.3972710611   2.5638604294  -0.1408150191
H    2.3689566702   1.3762370431  -2.9908356127
H    2.1560252162   2.7843630871  -1.9516435829
H    3.7566061575   2.3624646618  -2.5131231940
H    0.5619892670   1.8793622160  -1.1237144746
H    0.5739612397  -2.5736258676   0.8896059827
H    4.0226862651  -0.1566974099  -2.1756051503
H   -1.5104079269   0.9047481204  -0.4235822235
H    2.1899172176   1.4566468678   2.6063051586
H    0.6188554970   5.0098590820   1.1636051497
H   -2.3859426117  -1.3570675292  -1.8717070644
H   -3.7789724864  -1.1825344154   2.1834884560
H   -4.6619383723  -0.9367439871  -2.6720972596
H   -6.0737183923  -0.7916295611   1.3763356168
*