! 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  -5.2160251974   1.3100672071   0.7142776259
F   -2.5562663006  -2.4443749241  -1.6184885753
F   -0.5797420070  -1.6219202657  -1.7925093500
F   -1.0431527590  -2.9856485311  -0.1953021918
O    2.0910117904   1.9010808338  -0.4428329622
N    2.5588155182  -0.7700227182   0.4501657198
N    0.3266759188  -0.6967943631   0.8571364832
N    4.0923111990  -2.0421732990   1.3944525347
C    1.2985244123  -0.2206376506   0.2091349187
C    1.2352420295   0.8669405449  -0.8309038878
C    2.2164970212   2.9052568813  -1.4328117659
C   -0.9647170775  -0.1928606934   0.7623067218
C    3.2704130293   3.9038476238  -1.0082915584
C   -1.9273600682  -0.8083691559  -0.0463198089
C   -1.3453816628   0.8872564872   1.5545722452
C   -3.2340200153  -0.3400528413  -0.0631428153
C    3.7326120275  -0.5555939222  -0.2465501682
C    4.6600236158   3.3024397127  -0.8598745025
C    2.8490510813  -1.6823942493   1.4296508776
C   -1.5316804937  -1.9669502621  -0.9090079393
C   -2.6469259283   1.3541671404   1.5427328397
C   -3.5844349274   0.7364755369   0.7319012705
C    4.6547717967  -1.3485513047   0.3495334937
H    0.2007487244   1.2126662140  -0.9347872194
H    1.5222713616   0.4406414330  -1.8035882521
H    1.2528600965   3.4093218468  -1.5837777163
H    2.4953089971   2.4529498006  -2.3955073548
H    3.2873399597   4.6898333114  -1.7675979964
H    2.9643336035   4.3871494961  -0.0763245226
H   -0.6134716305   1.3588109535   2.1968000264
H   -3.9814558592  -0.8049789897  -0.6905809518
H    3.8159770449   0.1119657032  -1.0846472301
H    4.9796652256   2.8100432275  -1.7810338690
H    5.3956640752   4.0751200299  -0.6329103148
H    4.7044923638   2.5662800268  -0.0568555132
H    2.1023329495  -2.0262130524   2.1263099933
H   -2.9213639382   2.1952903730   2.1646927893
H    5.6947521230  -1.4593492158   0.0861525946
*