! 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  -4.5105140029   2.0361806045  -3.0613461326
O    2.1647072673   1.4944020860   0.2973514550
O    1.6492394917  -2.6136021179  -1.2873567354
N    2.1480661323  -0.7210247691  -0.1367747252
N    1.2503673853  -2.6059183872   0.9447957250
N    1.3536559986  -3.7442519941   2.8257516793
C    1.8102486025   0.2850743859   0.9237844179
C    2.7915842991  -0.0539337737  -1.2930606358
C    3.2104702801   1.2401276468  -0.6065787698
C    0.3069827403   0.3380433408   1.1942550079
C    2.6393989088   0.1135754517   2.1932490604
C    4.0101191584  -0.8019773290  -1.8101031640
C    1.7937929008   0.2429424151  -2.4115841460
C   -0.1365496922   1.5384952174   2.0222469101
C    1.6920677747  -1.9740761396  -0.2585131161
C   -1.6557622085   1.5663837432   2.2220317902
C   -2.4089178957   1.6859093818   0.9267646495
C    0.0174575995  -3.1898881308   1.1137474164
C    2.0205880372  -2.9963754465   1.9970644156
C   -2.4394464015   2.8955339444   0.2356103233
C   -3.0493600664   0.5900355114   0.3561380487
C    0.0980645493  -3.8626004442   2.2920518468
C   -3.0820551040   3.0134278331  -0.9865072912
C   -3.6983127904   0.6861279219  -0.8668678976
C   -3.7065430461   1.9013077216  -1.5302329241
H    4.1753382453   1.1283476081  -0.0946163606
H    3.2890928147   2.0770097793  -1.3005522273
H   -0.0053866152  -0.5702432022   1.7118967334
H   -0.2071113964   0.3451705994   0.2291256989
H    3.6744060766  -0.1451647018   1.9712434944
H    2.2336475263  -0.6472995451   2.8553515431
H    2.6451848737   1.0502212642   2.7500209372
H    4.6711333297  -1.0975192298  -0.9942635570
H    4.5762903709  -0.1434873458  -2.4710996115
H    3.7476194318  -1.6891776337  -2.3816461484
H    0.9656938951   0.8584713876  -2.0573024156
H    2.2932557388   0.7906132870  -3.2121833951
H    1.3822018451  -0.6668305308  -2.8428974875
H    0.3333978394   1.5139929793   3.0083442456
H    0.1787929426   2.4695675906   1.5467478190
H   -1.9039729356   2.4093834750   2.8713949266
H   -1.9713872537   0.6640579768   2.7518521381
H   -0.7878975221  -3.0532065203   0.4115458334
H    3.0609478228  -2.7246558489   2.0811425944
H   -1.9539289983   3.7688796048   0.6554892179
H   -3.0443456639  -0.3639220842   0.8701873703
H   -0.6796725725  -4.4245717718   2.7848502043
H   -3.0955260787   3.9622786963  -1.5059786823
H   -4.1875439450  -0.1795118682  -1.2930367375
*