! 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  -6.2879719758   1.6597902156  -1.3081743012
O    2.4165230192   1.7018250039   0.0409443742
O    2.4212918170  -1.7352983965   2.3287263114
N    2.2610413536  -0.5113874249   0.4213226377
N    1.9082153197  -2.8314782919   0.4117020345
N    0.6778587542  -4.3941698269  -0.5312112619
C    2.4057400182   0.8005035881   1.1182981163
C    2.4803092988  -0.3533640713  -1.0424713278
C    3.0587924991   1.0653060702  -1.0336596247
C    1.2191963605   1.1209638460   2.0248633487
C    3.7196306603   0.9102918381   1.8925944240
C    3.4970367746  -1.3215623065  -1.6304136615
C    1.1873364982  -0.3673291747  -1.8506910541
C   -0.1767498632   1.0452231021   1.4097983537
C    2.2282415530  -1.6430435196   1.1349894899
C   -0.6083561101   2.2769954542   0.6076403457
C   -2.0248562158   2.1550471137   0.1201852625
C    2.6688973941  -3.9754403925   0.4094445114
C    0.7096502818  -3.1518439043  -0.1484624803
C   -3.0982242049   2.3021883010   0.9972969371
C   -2.3059254152   1.8549265839  -1.2094021029
C    1.8999719727  -4.9158344095  -0.2012882327
C   -4.4081007809   2.1525148764   0.5696124046
C   -3.6099135749   1.7008711620  -1.6591620168
C   -4.6529748294   1.8494194761  -0.7610864682
H    4.1487497083   1.0475891207  -0.9060816589
H    2.8378048848   1.6079264119  -1.9526711203
H    1.3891704315   2.1215259815   2.4349386914
H    1.2654770382   0.4466826140   2.8803913980
H    4.5777337505   0.6019123426   1.2941039877
H    3.7158271395   0.3114478638   2.7989308041
H    3.8696692987   1.9511985817   2.1824589172
H    4.3750855246  -1.4274597141  -0.9919786070
H    3.8371517351  -0.9281934096  -2.5903931813
H    3.0854094938  -2.3100758704  -1.8254591567
H    1.4039035662  -0.0836240351  -2.8816371544
H    0.7246926613  -1.3505907874  -1.8870598804
H    0.4556221000   0.3402113386  -1.4606401573
H   -0.2781193638   0.1471795232   0.7935028803
H   -0.8861551486   0.9095931147   2.2302576539
H    0.0568310852   2.4335597355  -0.2408506598
H   -0.5124013641   3.1618750274   1.2438431889
H    3.6699786009  -4.0044683596   0.8055215063
H   -0.1065344883  -2.4490754810  -0.2072714729
H   -2.9151255420   2.5439145384   2.0378361414
H   -1.4961551342   1.7451853333  -1.9210153522
H    2.1603294863  -5.9396179527  -0.4197163146
H   -5.2260844959   2.2738765463   1.2671154790
H   -3.8033518162   1.4706835410  -2.6983441839
*