! 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   5.9586723187   0.0852457573  -0.2499279353
O   -2.6713795234   0.2634436277   1.6604932716
N   -2.1692407395  -1.8228117816  -0.3563539344
N   -2.1618146995  -2.4276227045   0.8358073994
N   -0.6985058038  -3.4083684272  -0.5379678879
C   -3.1374354065   1.8676429157  -0.0977879483
C   -2.4373080656   0.5446272476   0.3099185310
C   -2.4046345781   2.2240950232  -1.3982095657
C   -0.9803332253   0.8068952701  -0.0503662148
C   -0.9442425115   1.8001348297  -1.1799723142
C   -2.9451262084  -0.6258419816  -0.5674905511
C   -2.8614019359   2.9392888786   0.9598434306
C   -4.6438876896   1.7421016124  -0.2883394707
C    0.0272597609   0.2041686655   0.5870088098
C    1.4666481630   0.2472794109   0.3371417819
C   -1.2824652232  -2.4091305672  -1.1595495939
C    2.0978854375   1.0100213503  -0.6518212975
C    2.2817376748  -0.5617760501   1.1388545734
C   -1.2667166663  -3.3739277046   0.6792205058
C    3.4710964694   0.9648668151  -0.8308928948
C    3.6534297415  -0.6203753366   0.9708585525
C    4.2425337186   0.1482649754  -0.0201993060
H   -2.4955990869   3.2847745822  -1.6348849576
H   -2.8378840525   1.6838318660  -2.2434393324
H   -0.3257834628   2.6593058265  -0.9084035925
H   -0.5044369820   1.3811221675  -2.0891995986
H   -2.8852713783  -0.3878050018  -1.6276205365
H   -3.9865001024  -0.8486489329  -0.3345378056
H   -1.7981652862   3.0582672787   1.1779912822
H   -3.2297194521   3.9042569803   0.6067573262
H   -3.3679727539   2.7225215092   1.9000021761
H   -4.9144672241   1.0777973446  -1.1104870442
H   -5.1321808983   1.3753395490   0.6168267107
H   -5.0764059419   2.7179008229  -0.5167642889
H   -2.5322780510  -0.6814501971   1.8253562592
H   -0.2359011467  -0.4448754382   1.4172222929
H   -1.1056999659  -2.0851369506  -2.1727872293
H    1.5326451463   1.6542379050  -1.3068985224
H    1.8303846755  -1.1686045935   1.9143578110
H   -1.0222140354  -4.0626470562   1.4724816366
H    3.9315115882   1.5644941797  -1.6045207341
H    4.2513284500  -1.2608286297   1.6050138926
*