! 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   2.4885094168   0.2463755896  -2.9273822585
Cl  -6.8902288545   0.4440586956   1.3126925270
O    3.3866988940  -0.5379275842   1.4277869735
O    4.2025618259  -0.6244234557  -0.6503969804
O   -2.0963183520  -1.2260444616  -1.6104163660
N    2.3161241075   2.1406295186   0.7884094266
N    1.3012943518   2.6543572622   0.0895839695
N    0.9203970654   2.8574032572   2.2859517481
C    3.1960855402  -0.0549043575   0.1253164908
C    4.2148749916  -1.7042927394   1.3863334059
C    3.4056319048   1.4651028002   0.1313383227
C    4.4255909861  -1.9123170435  -0.1103611501
C    1.7960838995  -0.4197577563  -0.3654060554
C    3.5675761307  -2.8727819491   2.0899937622
C    1.3949387262  -0.2876438980  -1.6926598223
C    0.8266132134  -0.8294314220   0.5459372386
C    0.0948241119  -0.5459846450  -2.0962342668
C   -0.4769257372  -1.1009560154   0.1718093294
C   -0.8398362566  -0.9492453783  -1.1575240821
C    2.0724174704   2.2602630660   2.0968188434
C    0.4912091001   3.0741870152   1.0264324098
C   -3.1808241349  -0.8097746452  -0.8907660493
C   -4.2945518784  -1.6367579238  -0.8884972344
C   -3.2105606596   0.4109039870  -0.2281916861
C   -5.4428991882  -1.2469969864  -0.2179894721
C   -4.3543506382   0.7950723951   0.4528656491
C   -5.4628868860  -0.0366633913   0.4565400825
H    5.1637203676  -1.4601606503   1.8747938725
H    3.4710116793   1.8533457342  -0.8824267196
H    4.3401073902   1.6976866241   0.6428052043
H    5.4364683769  -2.2301765325  -0.3622599796
H    3.7188577842  -2.6437438697  -0.5220995107
H    4.2243755702  -3.7427320657   2.0375088631
H    2.6151795097  -3.1427841206   1.6312705348
H    3.3952791069  -2.6567664113   3.1447491598
H    1.0915918198  -0.9403084592   1.5873718305
H   -0.1945116981  -0.4314152419  -3.1326049279
H   -1.1918048784  -1.4252756545   0.9167790702
H    2.7525647905   1.9130519717   2.8584634501
H   -0.4419655777   3.5640992518   0.7938446509
H   -4.2695772716  -2.5835197781  -1.4124740240
H   -2.3548594332   1.0734570740  -0.2370310447
H   -6.3098953958  -1.8934252555  -0.2192126371
H   -4.3732955134   1.7444036873   0.9706785887
*