! 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   5.9633858418   1.7838341852  -0.2539315827
O   -2.4208920706  -0.7788309028  -1.5326570255
N   -2.6256014415   1.4038441183   0.3074625705
N   -1.7672561173   2.3072770170   0.7890110701
N   -3.1038582324   3.2457774851  -0.7390929661
C   -1.8390269033  -0.8818315885  -0.2462462375
C   -1.7405367720  -2.3574765077   0.2194215469
C   -0.3638155855  -0.4757517238  -0.4436564399
C   -0.4674423727  -2.8904371141  -0.4898279326
C    0.1967548804  -1.6915300089  -1.1796667565
C   -2.9464977363  -3.2822426071  -0.0213089744
C   -2.6059715531   0.0195127509   0.7308996086
C    0.3978084744  -0.2275694279   0.8694629216
C   -2.6594426037  -4.6514217930   0.5939130697
C   -4.2774930031  -2.7725198082   0.5274425850
C    1.7947320920   0.2643293846   0.6159515281
C   -3.4135993647   1.9773083528  -0.6035381160
C    2.0062621118   1.5729995280   0.1846096964
C    2.9043854024  -0.5587677261   0.7785698853
C    3.2793541100   2.0484819464  -0.0843310778
C    4.1889272373  -0.1018232719   0.5159244676
C   -2.0905463684   3.3942106813   0.1349275152
C    4.3643763288   1.2010366012   0.0822376137
H   -1.5667688841  -2.3394072171   1.3026799795
H   -0.3072610573   0.4335614915  -1.0504208148
H   -0.7162968620  -3.6659502168  -1.2166162668
H    0.2062196127  -3.3560558524   0.2311117194
H    1.2862444420  -1.7377021075  -1.1453474376
H   -0.0765387947  -1.6542156105  -2.2343672683
H   -3.0568962020  -3.4260219894  -1.1032756214
H   -2.1818869334  -0.0168530214   1.7319330812
H   -3.6414024094  -0.3018540816   0.8272038748
H    0.4377873498  -1.1395964382   1.4711743869
H   -0.1182277487   0.5216641848   1.4700009882
H   -3.2807954523  -1.2094847809  -1.5382671341
H   -1.7431294070  -5.1003137048   0.2095276658
H   -2.5593380290  -4.5772010926   1.6799616193
H   -3.4719919874  -5.3502101032   0.3868376575
H   -4.6654018378  -1.9010322082  -0.0029394806
H   -4.2072293637  -2.5154742435   1.5869263848
H   -5.0440055991  -3.5438134769   0.4331909740
H   -4.1961972657   1.4496992375  -1.1252304807
H    1.1605163397   2.2396995342   0.0615793516
H    2.7736803077  -1.5786078722   1.1206241308
H    3.4207669310   3.0681905260  -0.4168127779
H    5.0378956719  -0.7587862156   0.6496719916
H   -1.5795031696   4.3301080458   0.3011179769
*