! 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   0.1464233797  -1.5593248831  -1.9658260445
Cl   4.8320937886   0.4648724278  -0.4334083589
O   -1.6605918411  -1.2020259125   0.3565078196
O   -1.4742694563   0.5979831603   1.6484407802
N   -1.2987199288   2.2182496973  -0.8359064170
N   -0.3846895036   2.4570277280  -1.7792379948
N   -0.6749586294   4.2669056079  -0.4955129962
C   -1.1494037777   0.0870100035   0.3837752044
C   -1.4684714498  -1.7396558380   1.6588763803
C   -1.5940871902  -0.4966918080   2.5483410751
C   -2.4945933173  -2.8145687661   1.9374694798
C   -1.8821649423   0.9118468277  -0.6807365490
C    0.3655125069   0.1238973414   0.1788744737
C   -2.3778045599  -4.0362865574   1.0343204521
C    1.0129906222  -0.5607394600  -0.8472669571
C    1.1507932307   0.9247107657   1.0020093142
C   -3.4294943232  -5.0868816733   1.3575509237
C    2.3828948822  -0.4677411049  -1.0390689361
C    2.5196294189   1.0422210694   0.8309389120
C   -1.4563627538   3.3035196045  -0.0720904357
C    3.1247955538   0.3385126074  -0.1938226135
C   -0.0415823767   3.6957060458  -1.5398826993
H   -0.4582728993  -2.1628532483   1.7366964399
H   -2.5684399728  -0.4384374587   3.0406983678
H   -0.8172995788  -0.4622678529   3.3153324343
H   -3.4970095183  -2.3805484499   1.8592341250
H   -2.3722136800  -3.1217367593   2.9810273337
H   -2.9297668444   1.0122672451  -0.3961889140
H   -1.8412165252   0.4135472996  -1.6465570113
H   -1.3796404782  -4.4720090909   1.1385860191
H   -2.4728306524  -3.7361286332  -0.0120991482
H    0.6861523314   1.4822452979   1.8026914900
H   -3.3244597184  -5.9658773252   0.7202491990
H   -3.3537679452  -5.4224766862   2.3939868433
H   -4.4388671785  -4.6964982954   1.2125130881
H    2.8602371219  -1.0140620624  -1.8407534204
H    3.0971247969   1.6756445402   1.4897435944
H   -2.1447438282   3.3478167035   0.7570116849
H    0.6900533077   4.2101315116  -2.1436013775
*