! 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  -0.4968544227   0.4297781822  -2.2364739169
F    5.1834293979  -0.7283956800  -0.2735456345
O   -0.3180705279   0.0194001772   2.3110213322
N   -1.7832055176  -3.4276025873   0.5340483918
N   -3.3298486958  -1.8804607033  -0.3450592006
C   -0.2849389179   0.0005000093   0.8998263868
C    1.1828309530  -0.2469801860   0.5481796601
C   -0.6685746690   1.3748540068   0.3289270953
C   -1.2289500925  -1.1100257050   0.4682649414
C    2.1469875248   0.5094834444   1.2150254607
C    1.6070199973  -1.1631521261  -0.4059826795
C   -0.7520898572   1.6567245756  -1.0367410322
C   -0.8858974832   2.4400258470   1.2010822658
C   -0.9476008733  -2.4336094422   0.7924836945
C   -2.4795778739  -0.8938503237  -0.0892223201
C    3.4958840591   0.3539882390   0.9458474452
C    2.9558802629  -1.3333382751  -0.6898994397
C   -1.0493084005   2.9268683610  -1.5080252501
C   -1.1799436052   3.7157012385   0.7447964547
C    3.8780811107  -0.5710629742  -0.0065786429
C   -1.2637790142   3.9627058232  -0.6147240464
C   -2.9338389727  -3.1018494201  -0.0348773251
H    1.8562062857   1.2412703476   1.9568967897
H    0.8979251812  -1.7675370158  -0.9533312053
H   -0.8131493801   2.2801812059   2.2672242325
H   -1.2348402104   0.0772035961   2.6078004751
H   -0.0181089091  -2.7037778904   1.2821947404
H   -2.8284026512   0.1052106992  -0.3252406269
H    4.2358135364   0.9445658834   1.4698916129
H    3.2746390347  -2.0513685433  -1.4339026149
H   -1.1094163129   3.1041648150  -2.5733666840
H   -1.3399324879   4.5133051607   1.4578717147
H   -1.4926054655   4.9524758639  -0.9864734828
H   -3.6181188745  -3.9122359883  -0.2566769828
*