! 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   4.2886333651   0.5399366620  -3.6282773489
F   -1.7919019326   0.6281340731   2.5662362592
F   -4.4655654859  -0.3451790164  -2.4243796149
F   -2.8771379674  -1.8077428475  -2.0678551847
O   -0.2419510882  -0.3321010784  -1.3474563851
N    0.2123618380  -1.1658250918   0.6966147022
N   -3.6819074606   0.7446722915   1.2817984236
N   -4.1107669839   0.4716380506   0.0474881996
C   -0.2620857021  -1.8160942779   1.8847760988
C   -1.4942908731  -2.6616082167   1.8527519341
C   -0.1550309795  -3.3097761508   1.9725722750
C    1.5933185091  -1.4395554919   0.3079469037
C   -0.5931788665  -0.5459630053  -0.1951266408
C    2.3812331188  -0.2547837703  -0.2006065695
C    2.6730326231   0.8648562751   0.5858562533
C   -1.9300543665  -0.1037436961   0.2391468938
C    2.1666086384   1.0374705093   2.0014094845
C    2.8835403781  -0.3359490063  -1.4977571650
C   -3.0745934777  -0.0255527383  -0.5845688778
C    3.4597035552   1.8745360050   0.0296038130
C   -2.3993322092   0.4115782701   1.4224843574
C    3.6707881093   0.6747399091  -2.0122556562
C    3.3098545551   1.2348193712   2.9954871707
C    1.1696022759   2.1933189823   2.0784283419
C    3.9651569696   1.7965213458  -1.2557969323
C   -3.1853317887  -0.4803847535  -1.9999356402
C   -4.5498467031   1.3422341169   2.2715078719
H   -0.0606644431  -1.2845931461   2.8089717766
H   -2.0156803706  -2.7754179848   0.9111649156
H   -2.1433182691  -2.6268523014   2.7181882927
H    0.1478438279  -3.7299224170   2.9226933473
H    0.2146183012  -3.8441889101   1.1064608338
H    1.6211193670  -2.2305388515  -0.4461042705
H    2.0859468671  -1.8472004761   1.1916323177
H    1.6428281475   0.1308442056   2.3036741776
H    2.6521960435  -1.2014373636  -2.1050240627
H    3.6980081981   2.7540531904   0.6155967768
H    4.0193737501   0.4067705829   2.9598290022
H    3.8643249784   2.1564463532   2.8089286100
H    2.9207252073   1.2913298071   4.0138004930
H    0.3543934798   2.0725385009   1.3641549207
H    0.7358256620   2.2669214209   3.0768823342
H    1.6518038514   3.1484885030   1.8607088881
H    4.5761158908   2.5949873313  -1.6545691702
H   -2.5339911640   0.0578112153  -2.6861208917
H   -4.1951466411   2.3319675197   2.5520183773
H   -5.5373566072   1.4322743750   1.8308871184
H   -4.6153461385   0.7135054116   3.1568194540
*