! 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  -4.7009580894   1.7600965989   1.0381051760
F   -0.2603154249  -1.0971651181  -2.0033645736
F   -1.1006068186  -2.6688738154  -0.8009112388
F   -2.3538524337  -1.5486292397  -2.1346886152
O    1.0928686070   1.9280587696   0.1452228704
N    2.7895934175  -1.2885243731   0.6394984321
N    0.5701483456  -0.8563838314   0.7195392560
N    3.8300380290  -3.2133394472   0.9115715462
C    1.7239174446  -0.3801951170   0.5636130100
C    2.1512510330   1.0490294205   0.2965010805
C    0.6146103231   2.1387823766  -1.1767825023
C   -0.6315176640  -0.1755935053   0.7681895784
C    1.0176694576   3.5043498175  -1.6984519832
C   -1.6214218158  -0.4595657359  -0.1809913682
C   -0.9469010328   0.6811828630   1.8227686301
C   -2.8703131841   0.1449698506  -0.1027129093
C    4.1380098073  -1.0360607192   0.4758979281
C    2.5185087536   3.6895553339  -1.8625098290
C    2.6747124206  -2.6266235180   0.9002570415
C   -1.3339785209  -1.4398729981  -1.2766371873
C   -2.1911379485   1.2715591955   1.9122205507
C   -3.1441872064   1.0097073322   0.9392417142
C    4.7526797946  -2.2319879118   0.6453782722
H    2.8156387105   1.0469026981  -0.5761676087
H    2.7562811956   1.3800184697   1.1478767980
H   -0.4754384302   2.0617652611  -1.1445126295
H    0.9731177229   1.3554967000  -1.8534255483
H    0.5218371640   3.6422657820  -2.6633190201
H    0.6145346961   4.2756264998  -1.0360004861
H   -0.2073799245   0.8815481279   2.5862282011
H   -3.6317230212  -0.0576175780  -0.8426449671
H    4.5419348970  -0.0625413646   0.2602620618
H    2.9416458894   2.9489603275  -2.5442721536
H    2.7466069875   4.6744853909  -2.2713587550
H    3.0480387663   3.6113276801  -0.9115534653
H    1.7181572697  -3.0924056339   1.0698107360
H   -2.4119008663   1.9368426859   2.7358537123
H    5.8092797681  -2.4414946794   0.5915142557
*