! 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  -4.4840784307   2.0402958013  -0.4672219416
F   -2.2267735645  -1.9947227982   1.7973714258
F   -1.0363320853  -2.7785891286   0.1932847101
F   -0.1154337060  -1.6228262521   1.7551522790
O    1.4719593611   1.9414799222   0.3096297589
N    2.9240522261  -1.1650916325  -0.9932887688
N    0.7338401457  -0.6751230472  -0.7668340889
N    4.9102718028  -2.0092927561  -1.4523707804
C    1.9127690344  -0.2403230928  -0.6925592811
C    2.4080149967   1.1497591525  -0.3367472329
C    1.3917407271   1.7373173954   1.7110659196
C   -0.4459615324   0.0330928819  -0.6525826929
C    0.6297599028   2.8813336978   2.3436679590
C   -1.4536874813  -0.4641863166   0.1846791262
C   -0.7370018587   1.1303423768  -1.4632929536
C   -2.6923249605   0.1601497343   0.2479959688
C    2.7253246699  -2.4962688030  -1.2975579721
C   -0.8214242239   2.9864284598   1.9024732276
C    4.2690808579  -0.9376522180  -1.1058722092
C   -1.2058500276  -1.7093027124   0.9813878862
C   -1.9747143533   1.7401671062  -1.4197359911
C   -2.9418332637   1.2601047144  -0.5507945966
C    3.9569588836  -2.9915909427  -1.5685083762
H    2.6983818085   1.6506928316  -1.2665479096
H    3.3188309541   1.0549149818   0.2667752917
H    2.4026740101   1.6885856035   2.1367218863
H    0.9019073702   0.7829784936   1.9396676978
H    0.6746066895   2.7334729333   3.4258065512
H    1.1565024656   3.8184191298   2.1422360740
H    0.0090776593   1.4998865423  -2.1537299524
H   -3.4674287650  -0.2079730991   0.9049682796
H    1.7499766675  -2.9488185429  -1.2792394749
H   -1.3247916745   3.8051834387   2.4184404761
H   -0.9112381024   3.1703493141   0.8324808062
H   -1.3710288709   2.0710626507   2.1278377405
H    4.7194355835   0.0268229170  -0.9369253429
H   -2.1775035134   2.5904235635  -2.0567312861
H    4.2150310377  -4.0031292348  -1.8399364237
*