! 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  -4.8653782312   0.6903452475  -2.5570114520
O    2.5612957301   1.6389305163   0.1928108812
O    1.9730376186  -2.4945367727  -1.3054464014
N    2.3799483697  -0.5726960940  -0.1755688066
N    0.9214387922  -2.2103344302   0.6843660064
N   -0.9638816807  -2.8969909329   1.5860799346
C    2.0659106117   0.4909567118   0.8327341626
C    3.3220547354  -0.0510714770  -1.1963111514
C    3.7096158008   1.2662344775  -0.5277944763
C    0.5677977502   0.6958371865   1.0567539244
C    2.8158767907   0.2590205010   2.1413955489
C    4.5490855318  -0.9290761009  -1.3904508702
C    2.6126004769   0.2292853155  -2.5201306475
C    0.2014174463   2.0595060156   1.6359898895
C    1.8081339282  -1.7678236630  -0.3487587047
C   -1.2706939429   2.1086438660   2.0624429523
C   -2.2120059267   1.7687137192   0.9411878595
C    1.2405794470  -2.6797146918   1.9342511889
C   -0.4155744232  -2.3873869315   0.5210560157
C   -2.4667664343   2.6871116026  -0.0749886718
C   -2.8045346076   0.5120984354   0.8528402973
C    0.0595911629  -3.0918644919   2.4725971337
C   -3.2808613360   2.3668749918  -1.1502895581
C   -3.6214828424   0.1708251261  -0.2157942517
C   -3.8505309640   1.1043873504  -1.2126222177
H    4.5808453873   1.1447235191   0.1282208537
H    3.9419084128   2.0472791774  -1.2517712618
H    0.2009028195  -0.0714446992   1.7401948260
H    0.0444983714   0.5591126830   0.1073070539
H    2.3772898263  -0.5505173836   2.7196076938
H    2.7681374545   1.1571270333   2.7578128355
H    3.8675184838   0.0214561235   1.9799956084
H    4.9756854343  -1.2347480896  -0.4338026301
H    5.3126068886  -0.3598870263  -1.9242277711
H    4.3381870115  -1.8212854954  -1.9752018376
H    3.3111184895   0.6992116476  -3.2143799662
H    2.2439576427  -0.6788854056  -2.9914560439
H    1.7715424969   0.9107856063  -2.3832653561
H    0.8107976504   2.2886936459   2.5138501388
H    0.3943831824   2.8481008356   0.9060835780
H   -1.4907397743   3.1093513805   2.4420516915
H   -1.4273143580   1.4177867728   2.8947076430
H    2.2520403898  -2.7186459336   2.3004979957
H   -0.9247838585  -2.0966364742  -0.3848351226
H   -2.0234715381   3.6752474176  -0.0326642178
H   -2.6235348411  -0.2251857306   1.6259042015
H   -0.1027457540  -3.5297729012   3.4449801035
H   -3.4676666724   3.0948998782  -1.9283405566
H   -4.0702923152  -0.8123770561  -0.2654020050
*