! 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  -1.0346513538   0.2605149948  -2.2952811811
Cl  -5.3572291156  -1.8352102939   0.0851453388
F    5.9652688940  -2.0636238973  -0.2095373709
O    0.9028002881  -2.3700338050   0.1599079415
N    0.3083872682  -0.1873446682   0.3184354105
N    1.8883338185   1.5498266767   0.2689290118
N   -0.3326783066   2.0847652343   0.4606723957
N   -0.3152767426   3.1676490896  -0.3319092650
N   -1.9693241889   3.3124791196   1.1721417441
C    2.6333787319  -0.7503783221   0.1237867271
C    0.6940331344   1.1322951292   0.3525819596
C    1.2560198744  -1.2136040691   0.2053084024
C   -1.0598382412  -0.5772091152   0.2663791471
C    2.8927561638   0.6236207105   0.1313943063
C    3.6713146256  -1.6756273121   0.0067326885
C    4.2129540481   1.0703115755   0.0122528546
C   -1.7878408928  -0.4193500132  -0.9066275273
C   -1.6614751226  -1.1523179770   1.3735028430
C    4.9516856150  -1.1973164645  -0.1010860337
C    5.2416430113   0.1640828962  -0.1050458240
C   -3.1182021625  -0.7979827159  -0.9688400887
C   -2.9867950250  -1.5445372042   1.3284363617
C   -1.3297709102   2.1971780561   1.3658179597
C   -3.7019565695  -1.3583128312   0.1554293923
C   -1.3152677332   3.8647717210   0.1222188498
H    3.4722776778  -2.7392440381   0.0013942335
H    4.4128876749   2.1332270352   0.0141279243
H   -1.0915883520  -1.2826090385   2.2839893180
H    6.2661175739   0.4998108094  -0.1981996576
H   -3.6826555791  -0.6637270054  -1.8807674203
H   -3.4517176022  -1.9869467000   2.1979433654
H   -1.5256543131   1.4711377951   2.1382395024
H   -1.5921045863   4.8111860036  -0.3144860100
*