! 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  -6.0787467000   0.5597256588   0.6576146193
O    2.8989544781   1.5618264548   0.3598394628
O    0.2570686336  -1.5522391144   0.9879098437
N    2.1086048445  -0.5414354168   0.1462150943
N    1.5967074580  -2.7688097319  -0.3801592615
N    1.7291189678  -4.2309097733  -2.0190604527
C    1.7583294821   0.8061914217   0.6876223553
C    3.5249442638  -0.5658916226  -0.3076914276
C    4.0060523020   0.6990571061   0.4046509278
C    0.5669077603   1.3952615924  -0.0626113870
C    1.5660402240   0.7934376394   2.2035959482
C    4.3275901231  -1.7655812435   0.1737461890
C    3.6594202580  -0.3840686874  -1.8165960936
C    0.2528536456   2.8421842748   0.3003904561
C    1.2666772983  -1.5664497444   0.3158686767
C   -0.9050311244   3.4101168370  -0.5273978924
C   -2.2116297348   2.7174561396  -0.2593458342
C    1.7582999561  -3.9980118139   0.2100633099
C    1.5662289187  -2.9742072299  -1.7243149751
C   -2.7166909716   1.7531479759  -1.1266029236
C   -2.9344985499   2.9998566921   0.8982469754
C    1.8628464631  -4.8788782441  -0.8208558057
C   -3.9022814700   1.0844487661  -0.8548182089
C   -4.1208743630   2.3446329299   1.1881877433
C   -4.5952236440   1.3868222998   0.3051666901
H    4.3144108754   0.4803362772   1.4355591058
H    4.8458910500   1.1705884897  -0.1055743422
H   -0.3082170923   0.7726290819   0.1295673224
H    0.7736051183   1.3278007937  -1.1355059954
H    0.5986735262   0.3929327808   2.4935855016
H    1.6343907476   1.8128849894   2.5834451844
H    2.3355791891   0.2048080027   2.7047151663
H    5.3896593579  -1.5252466744   0.0944792811
H    4.1649193239  -2.6601357692  -0.4244843437
H    4.1239889072  -2.0007970101   1.2191364332
H    4.7074593160  -0.2204253134  -2.0719177850
H    3.3358640179  -1.2632336194  -2.3689699490
H    3.0904368725   0.4738715400  -2.1756575299
H    0.0015862743   2.9265127836   1.3612320807
H    1.1304842436   3.4712505186   0.1365288562
H   -0.6597983957   3.3421798547  -1.5904279335
H   -1.0039516644   4.4742990821  -0.3004158830
H    1.8114410430  -4.1229377411   1.2785004174
H    1.3777417607  -2.1756610368  -2.4240061151
H   -2.1796803587   1.5123134155  -2.0362682090
H   -2.5712112036   3.7500341374   1.5910773808
H    2.0269172881  -5.9435419088  -0.7639523308
H   -4.2758376288   0.3380515040  -1.5429283244
H   -4.6678019220   2.5820626427   2.0908055243
*