! 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  -4.7147757274   1.6923820805   0.8606675910
F   -0.0112570925  -0.8628716769  -1.9452793611
F   -0.8383691291  -2.5866577937  -0.9633314522
F   -2.0590495979  -1.4143607146  -2.2832842417
O    0.9476357971   1.6124955699   0.0041035328
N    2.7523526348  -1.4395343169   0.7666331521
N    0.5423374940  -0.9752396522   0.9564862323
N    3.8481570647  -3.2603695104   1.3509263162
C    1.6737083205  -0.5641209284   0.5946188526
C    2.0415393318   0.7597641413  -0.0311798443
C    0.8080708129   2.4733890543  -1.1089859169
C   -0.6599761676  -0.2921103665   0.8880124807
C    1.8210824959   3.6046519927  -1.1338001982
C   -1.5349618797  -0.4756480414  -0.1883948676
C   -1.0859844787   0.4759412322   1.9705416163
C   -2.7808667931   0.1399185279  -0.1968244144
C    4.0620556116  -1.2575562477   0.3675103200
C    1.5569309194   4.5542145819  -2.2928657838
C    2.6927560320  -2.6741324516   1.3534543237
C   -1.1160585789  -1.3326710754  -1.3402783966
C   -2.3231167202   1.0871310519   1.9658811429
C   -3.1637617535   0.9220793986   0.8752996365
C    4.7124011544  -2.3875811322   0.7366633211
H    2.3861086384   0.5597370375  -1.0557151165
H    2.8987255776   1.1769465702   0.5125064327
H   -0.2039534779   2.8789639615  -1.0390358969
H    0.8616794228   1.9004084347  -2.0441466303
H    1.7764510262   4.1500300760  -0.1871202604
H    2.8347147216   3.2008332452  -1.2188418164
H   -0.4296666605   0.6000080621   2.8214869945
H   -3.4548625816   0.0121040431  -1.0323257795
H    4.4145083388  -0.3732333774  -0.1340132661
H    0.5712436399   5.0170529015  -2.2140594009
H    2.2940187319   5.3570061236  -2.3191706269
H    1.6027003233   4.0377272814  -3.2538275627
H    1.7757765794  -3.0692538396   1.7584706239
H   -2.6274951799   1.6914089570   2.8099098703
H    5.7550085106  -2.6233780735   0.5930245250
*