! 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  -6.4472405323   4.7411718933   0.4987777488
O    1.8225586727   1.0045415866   0.3884435881
O    1.0904640303  -3.0438992265   0.7719989689
N    2.2655766502  -1.1971196429   0.1779671482
N    3.1950337514  -3.3449350181  -0.0246237833
N    4.2582575941  -4.9879336058  -1.0288118923
C    1.2187615320  -0.2399938207   0.6454150198
C    3.3485459561  -0.4748214981  -0.5421166626
C    2.6287075234   0.8586941568  -0.7519743404
C   -0.0693190385  -0.3899224599  -0.1763570614
C    0.9872449087  -0.3264798958   2.1435261988
C    4.5810777914  -0.2575868704   0.3299173368
C    3.7278418714  -1.0673955896  -1.8908691443
C   -1.1188538150   0.6728931314   0.1295857907
C    2.0911468131  -2.5099220824   0.3411543623
C   -2.3136204263   0.5635111799  -0.8201204359
C   -3.3650163291   1.5924418104  -0.5187117821
C    4.3423920450  -3.5608371272   0.6977758248
C    3.1858211586  -4.2495149506  -1.0372509914
C   -3.2844164271   2.8748208005  -1.0564584671
C   -4.4209205648   1.3091888138   0.3435958863
C    4.9839121888  -4.5745897428   0.0539873589
C   -4.2237470008   3.8479445157  -0.7501042733
C   -5.3718852922   2.2676574036   0.6625331801
C   -5.2631842667   3.5336423629   0.1108049641
H    3.3222877374   1.6981192873  -0.8065950185
H    2.0350620089   0.8490449159  -1.6759093343
H   -0.4976027129  -1.3765369793   0.0006658877
H    0.1811925919  -0.3538205646  -1.2417978036
H    0.3935220666  -1.1949480043   2.4178477354
H    0.4540418496   0.5606573068   2.4864046337
H    1.9359889605  -0.3697967702   2.6798452169
H    5.1195891213  -1.1823383465   0.5240489905
H    4.3271875466   0.1991909837   1.2869788468
H    5.2744665144   0.4098909380  -0.1842886503
H    2.8520865162  -1.3761163641  -2.4624597233
H    4.2394233836  -0.2970343190  -2.4716925578
H    4.4155077006  -1.9074045147  -1.8148716638
H   -1.4755820835   0.5698972680   1.1582777910
H   -0.6878005270   1.6738923046   0.0471001138
H   -2.7456446706  -0.4383225030  -0.7490781043
H   -1.9668290157   0.6807598959  -1.8505173345
H    4.5713070015  -3.0207791554   1.6003755639
H    2.3792778628  -4.2978302663  -1.7525782609
H   -2.4762265236   3.1255586833  -1.7335830232
H   -4.5118649495   0.3198176173   0.7762051775
H    5.9239922030  -5.0308818305   0.3223419817
H   -4.1434457553   4.8364856273  -1.1819605792
H   -6.1864673668   2.0237824621   1.3312890109
*