! 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 4
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Br   0.7224107551  -3.2926185474   0.3696751843
Cl   0.7445735956   1.4686068983   2.4785650922
Cl   3.7885221393   2.3917975507  -1.7913377903
O   -1.6392272924  -1.1160088997  -0.4244864657
N   -2.5405942560   1.5451400531  -0.1294654368
N   -3.5837955564   1.2033967936  -0.8886690217
N   -2.6133944451   3.0579589101  -1.6844938647
C   -1.0743144853  -0.3145824159   0.5937223330
C   -0.7948371335  -1.2821861028   1.7733867467
C   -0.9674856592  -2.6595206858   1.1609727842
C   -2.1301402856   0.7354901543   0.9903644519
C   -1.9919534645  -2.3802595089   0.0890113495
C    0.1753061214   0.3540969854   0.0347551086
C    1.0218451040   1.1676891423   0.7882599240
C    0.4973682134   0.2041847364  -1.3124466923
C    2.1324746878   1.7943006475   0.2420717373
C    1.5955841053   0.8188915647  -1.8871544869
C   -1.9707595344   2.6517130471  -0.6170456330
C    2.4095559316   1.6130490918  -1.1000768756
C   -3.5909725096   2.1373367942  -1.8038514000
H   -1.5547030966  -1.1600616901   2.5509488505
H    0.1681067798  -1.1396224474   2.2534728026
H   -1.2808327423  -3.4171376937   1.8767289026
H   -1.7715857297   1.3879720989   1.7834034447
H   -3.0191251362   0.2311215941   1.3688477448
H   -2.0214284139  -3.1002663869  -0.7278407538
H   -2.9870205338  -2.3638925434   0.5558814826
H   -0.1256938913  -0.4164366955  -1.9381536102
H    2.7670988882   2.4140450572   0.8601502908
H    1.8062906671   0.6756308044  -2.9377561341
H   -1.1130829972   3.1261893617  -0.1653000301
H   -4.3328603435   2.1599724389  -2.5870219078
*