! 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   0.7652186399   2.1457779806   1.0847399720
Cl   4.8013078384  -0.5484774963  -1.0794400540
O   -1.6026083945  -1.5909650796   0.2359569569
O   -1.4852764648   0.3447417320   1.3051512973
N   -1.5078458912   1.7264310438  -1.2768588635
N   -0.4968814985   2.0519255330  -2.0858176977
N   -1.3934205874   3.8888019708  -1.1730527436
C   -1.1256846948  -0.2835248247   0.1207767062
C   -1.5450377398  -1.9620397482   1.6147298451
C   -1.3081615194  -0.6185844067   2.3271518881
C   -2.8366172013  -2.6506207128   2.0088404250
C   -1.8814485915   0.3574636635  -1.0459773260
C    0.3877912889  -0.2966768297  -0.1161175331
C   -3.1529753057  -3.9165739324   1.2179454602
C    1.2710186691   0.7151747142   0.2546554927
C    0.9236039846  -1.3827645070  -0.8058487210
C   -2.1184732187  -5.0218523490   1.3771574531
C    2.6277124561   0.6385160301  -0.0327984052
C    2.2682658117  -1.4799776639  -1.1136210888
C   -2.0297842602   2.8308333746  -0.7361890805
C    3.1139720394  -0.4593300796  -0.7166074003
C   -0.4635070704   3.3557101330  -1.9905160542
H   -0.6914167320  -2.6281889007   1.7773645779
H   -2.0316178505  -0.4186236245   3.1184110628
H   -0.3038144531  -0.5615122229   2.7586451553
H   -3.6615139516  -1.9373077830   1.9117675469
H   -2.7654724164  -2.8970756697   3.0730123144
H   -2.9500710257   0.3193465919  -0.8325692550
H   -1.6992478437  -0.2049564353  -1.9605151684
H   -3.2736394109  -3.6731984997   0.1592982747
H   -4.1255357782  -4.2882752296   1.5501642419
H    0.2703992659  -2.1864486129  -1.1169004214
H   -1.9573360552  -5.2681503523   2.4288853715
H   -2.4414983272  -5.9344185507   0.8742951652
H   -1.1509719114  -4.7500645908   0.9518510164
H    3.2921014710   1.4344482645   0.2733868817
H    2.6436101428  -2.3390141424  -1.6517392398
H   -2.8600428441   2.8128335081  -0.0480496961
H    0.2542644937   3.9470001560  -2.5376207103
*