! 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  -4.3998884405   2.0822203985   0.7009772595
F   -0.8348302792  -2.7437950938  -0.0563474454
F   -2.3434415835  -2.1113782047  -1.4467650967
F   -0.2909992922  -1.5852328038  -1.7818303297
O    1.0320769908   1.1323270176  -1.3863478568
N    2.9281059190  -1.3839129768   0.4970567377
N    0.8324178722  -0.6292623871   0.8778630257
N    4.8840961205  -2.4002910125   0.4223239866
C    1.8479881972  -0.5653689204   0.1404665761
C    2.0690610100   0.2535290426  -1.1159009915
C    1.2126830505   2.4333323781  -0.8543090176
C   -0.3727194812   0.0366506784   0.7456947395
C    0.0238360159   3.2889890213  -1.2304325354
C   -1.4222559206  -0.4684059529  -0.0340944803
C   -0.6220018855   1.1452249794   1.5545569540
C   -2.6564430862   0.1673672956  -0.0473142944
C    2.9676781744  -2.2397815215   1.5785021480
C    0.1165643249   4.6702672124  -0.6012677260
C    4.1200057582  -1.5307254664  -0.1596735784
C   -1.2254175833  -1.7218089018  -0.8285254383
C   -1.8489932674   1.7804681611   1.5420560111
C   -2.8591964958   1.2931609931   0.7294364078
C    4.1770983269  -2.8463438857   1.5126213606
H    2.1709702992  -0.4393001403  -1.9569338937
H    3.0297833517   0.7755799629  -1.0269154479
H    2.1376924625   2.8732782543  -1.2508889904
H    1.3229103839   2.3993422349   0.2372473029
H   -0.0326775989   3.3766508695  -2.3187120057
H   -0.8951774428   2.7971450386  -0.9027085873
H    0.1604607804   1.5085175649   2.2075391658
H   -3.4659220641  -0.2109656731  -0.6557539212
H    2.1499815525  -2.3289199601   2.2713101320
H    0.1331781672   4.6122349517   0.4889803249
H    1.0181650853   5.1989646978  -0.9168755036
H   -0.7375791685   5.2867510868  -0.8819412493
H    4.3702567160  -0.9832096693  -1.0540730319
H   -2.0120331273   2.6464625114   2.1693398662
H    4.5813360988  -3.5847190001   2.1871403883
*