! 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  -5.3735785519  -0.5690557686   0.9147999237
O    3.5529571467   0.6172603312  -0.3300385375
O    0.2887104894  -0.6511772089  -0.5803966279
N    1.1501201072   1.5040416330  -0.6994452217
N    1.0609086979   2.6227453077   0.0226067118
N    1.1500974122   3.1012970211  -2.1610648001
C    3.0175028604  -1.5467532884   0.6848905121
C    2.6279090572  -0.4407572005  -0.3298634572
C    1.2570126775   0.2087877378  -0.0616269981
C    3.1868366129  -0.9800409564   2.0951282305
C    1.9875580675  -2.6782379684   0.7114065598
C    4.3557292671  -2.1401994366   0.2276110813
C    1.2117419418   1.8031354529  -2.0002509152
C   -1.0080470228  -0.5520417572  -0.1859325454
C    1.0598076728   3.5547411657  -0.8934559229
C   -1.5127774874   0.4304971766   0.6570239437
C   -1.8547963245  -1.5360365142  -0.6898757533
C   -2.8603875229   0.4179281688   0.9957144404
C   -3.1952650441  -1.5438467611  -0.3550229334
C   -3.6932751234  -0.5634065506   0.4915864398
H    2.5714905310  -0.9055815611  -1.3267440867
H    1.1163155973   0.3978917257   1.0065378921
H    3.9208044602  -0.1742997611   2.1298727940
H    2.2526259597  -0.5975914469   2.5122366708
H    3.5314644243  -1.7629849845   2.7736456333
H    1.7700669045  -3.0619346066  -0.2873924650
H    1.0430356397  -2.3859257474   1.1709893488
H    2.3764980899  -3.5118971357   1.2996575551
H    5.1767017432  -1.4213217427   0.2719766747
H    4.2999259780  -2.5261101771  -0.7934620240
H    4.6412343863  -2.9724957168   0.8734764024
H    4.3819976106   0.2999956823  -0.7003064280
H    1.2952192554   1.0630237459  -2.7808191965
H    0.9878659620   4.6014951244  -0.6427139696
H   -0.8982696790   1.2245528811   1.0586304637
H   -1.4574668532  -2.2994328898  -1.3465766460
H   -3.2475749737   1.1854083273   1.6520499330
H   -3.8430700779  -2.3137968566  -0.7514830130
*