! 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  -5.3414134738   0.6701006549   0.9678145529
F   -0.1100026673   0.1532637867  -2.0140047783
F   -0.6749420176  -1.9169191996  -1.8615432326
F   -2.0057465770  -0.5038237825  -2.7760454936
O    2.3506270618   1.9660077639   0.9310509576
N    2.5669761643  -0.8837911982   0.9294025182
N    0.3188292858  -0.9534267752   0.6611375678
N    4.0702154906  -2.3978201736   0.3756238686
C    1.3205143738  -0.2564968331   0.9876319480
C    1.3026232901   1.1941039085   1.4290190338
C    2.2454731223   2.3810508194  -0.4230506664
C   -0.9883013666  -0.4936353749   0.7232663030
C    2.9406536084   1.4604781771  -1.4124333792
C   -1.7662405914  -0.3916206185  -0.4372694507
C   -1.5921324815  -0.2407260122   1.9536727033
C   -3.1016387323  -0.0236833277  -0.3589686514
C    3.7396745469  -0.5216435185   1.5612111804
C    2.9085959925   2.0489707134  -2.8151976791
C    2.8371696985  -2.0291876217   0.2299932341
C   -1.1426577756  -0.6676077793  -1.7706491359
C   -2.9255250282   0.1161456689   2.0368911670
C   -3.6725834963   0.2252605833   0.8768909637
C    4.6427914850  -1.4701095986   1.2119829707
H    1.3676307055   1.2249241198   2.5209397336
H    0.3282585885   1.6200305014   1.1629668898
H    2.7123943313   3.3683698954  -0.4682554073
H    1.1923080048   2.5176364655  -0.6998730576
H    3.9757071335   1.3081639372  -1.0966777705
H    2.4716824985   0.4756377623  -1.4318379322
H   -1.0149779084  -0.3487195658   2.8626425980
H   -3.7043709406   0.0683679007  -1.2511792381
H    3.8311031375   0.3388628166   2.1987803354
H    3.4109001257   3.0171971437  -2.8566672652
H    3.4088101543   1.3899979902  -3.5249581003
H    1.8861839993   2.1927349621  -3.1694098494
H    2.0875584624  -2.5168090744  -0.3718433221
H   -3.3721744265   0.3040813786   3.0034992888
H    5.6749012073  -1.5386782491   1.5174049224
*