! 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   1.7470389851   2.3574126902   0.9700468800
Cl   5.4910261476  -1.0920951757  -0.5919870674
O   -1.1376888409  -0.9697658520  -0.0393086577
O   -0.6858472278   0.7104537845   1.3437666394
N   -2.2248199793   1.4553621688  -0.9611216829
N   -3.0572062193   0.8976511627  -1.8434621702
N   -4.1924979157   2.1763288519  -0.4000963096
C   -0.3832196577   0.1950202123   0.0875218507
C   -1.4474973198  -1.4787896104   1.2603703001
C   -0.8582942460  -0.4090419661   2.1901225240
C   -2.9435233708  -1.6721903536   1.4366152288
C   -0.8115392708   1.1889764643  -0.9945212549
C    1.1116806218  -0.1043042313  -0.0536952025
C   -3.5684583890  -2.8255164607   0.6571822968
C    2.1116103613   0.7983537392   0.3076397916
C    1.5193679177  -1.3191068745  -0.5966271923
C   -3.5801093778  -2.6810330672  -0.8578881094
C    3.4570977685   0.5027345139   0.1468089447
C    2.8550581846  -1.6416862396  -0.7664389240
C   -2.9156382501   2.2123336365  -0.1037113622
C    3.8162340426  -0.7212224076  -0.3892466161
C   -4.2231530968   1.3597495722  -1.4732076497
H   -0.9342632949  -2.4360535011   1.4035333994
H   -1.5255075877  -0.1276363012   3.0045770867
H    0.0959377570  -0.7289630291   2.6223849308
H   -3.4595517321  -0.7326642782   1.2108443884
H   -3.1083815912  -1.8630186738   2.5014375125
H   -0.5728081462   0.7884262788  -1.9777895350
H   -0.2657826692   2.1245979953  -0.8810524054
H   -4.5988709379  -2.9350535856   1.0062699660
H   -3.0637873644  -3.7570712998   0.9333198357
H    0.7727294346  -2.0400787488  -0.8985056618
H   -2.5824483399  -2.7413943946  -1.2903463108
H   -4.1798160729  -3.4728582385  -1.3101784268
H   -4.0083289616  -1.7261226896  -1.1648495873
H    4.2110563145   1.2212328379   0.4372921485
H    3.1345961385  -2.5975954169  -1.1869155120
H   -2.4581724261   2.7703420675   0.6973322347
H   -5.1299275694   1.1017106857  -1.9981791452
*