! 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   3.9106207388   3.7368525058   1.2180984476
O   -0.6598725104  -0.5100324357   1.0775456391
N   -1.3926852794  -2.9378496881  -0.4213483379
N   -0.3064022380  -3.2457919199   0.2939976745
N   -0.4133807153  -4.5230604978  -1.5346912344
C   -1.6541819095  -0.5115772677   0.0789722636
C   -2.7157306391   0.5470464647   0.5266255951
C   -1.0736892002  -0.1658108362  -1.3213932740
C   -2.3088267090  -1.9093608635   0.0235451753
C   -3.3606795901   0.1575720063   1.8631481411
C   -2.0386134162   1.9088343316   0.7259292561
C   -3.8278254390   0.7017303297  -0.5152577074
C    0.4337819970  -0.3633468594  -1.5153775634
C    1.2993062934   0.6547219057  -0.8213606643
C   -1.4422042296  -3.7063034982  -1.5088943670
C    2.2317108457   0.2819009159   0.1410270450
C    1.2066846112   2.0051338142  -1.1488432908
C    0.2522421680  -4.1989607869  -0.4129462050
C    3.0397912745   1.2169557993   0.7703704370
C    2.0006760064   2.9584212947  -0.5297979515
C    2.9119991067   2.5540814794   0.4323026369
H   -1.3008258672   0.8690195371  -1.5793160687
H   -1.5910238642  -0.7539817757  -2.0845742286
H   -2.6775933228  -2.2051705952   1.0051167086
H   -3.1497473232  -1.9233577382  -0.6663989069
H   -4.0147986027   0.9626942771   2.2034973842
H   -2.6181718505  -0.0091040717   2.6436991565
H   -3.9840213109  -0.7354508749   1.7936158590
H   -2.7815128374   2.6423469603   1.0464724963
H   -1.5841900633   2.2981188433  -0.1858739334
H   -1.2622377437   1.8731252657   1.4888858938
H   -4.4157767702  -0.2087571157  -0.6467321180
H   -4.5261955895   1.4781494582  -0.1959632569
H   -3.4538061468   0.9978056443  -1.4963790119
H    0.6227829506  -0.2953815067  -2.5906255716
H    0.7521413740  -1.3675300072  -1.2309796461
H   -0.1678304819  -1.3423397679   1.0437970956
H   -2.2356484009  -3.6438577715  -2.2372031511
H    2.3380406074  -0.7618518020   0.4119637924
H    0.5046522758   2.3318976937  -1.9073999892
H    1.1680702669  -4.6774196978  -0.1029680182
H    3.7555100731   0.9029915713   1.5184480672
H    1.9098086745   4.0021793958  -0.7998073868
*