! 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   4.4737406144   0.1914947262  -1.6271476440
Cl   4.6919451112   1.5733214844   0.8839892620
Cl   4.1949937731  -1.2634427476   0.8421293990
Cl  -3.3218512583  -1.0204738978   1.7752319195
Cl  -2.6082820789   1.6035004291   0.8395793926
Cl  -5.0583765164   0.3682931688  -0.0374858843
O    1.0237316096   2.8457032283   1.0880627093
O   -4.1670631607  -1.3482518742  -3.1318310274
N    1.6467405970  -0.3968125686  -0.8211135507
N   -1.2112242637  -0.5421709011  -0.8681224599
N    1.8510501899   0.7374962520   1.3324183135
N   -3.2059456823  -1.8267726060  -1.1228270964
C   -0.5206343966   0.5789732385  -1.4842303830
C    0.8664781614   0.1412380141  -1.9224523842
C   -0.4908093042  -1.1670564479   0.2245466811
C    0.9389602367  -1.4993065384  -0.1955113123
C    2.3290480444   0.5654884644  -0.0120466664
C   -2.6323878473  -0.5304644018  -0.8723109033
C    3.8548437919   0.2723161278   0.0227699101
C   -3.3569938693   0.0740717278   0.3771971414
C    1.2288018713   1.8547036897   1.7590861211
C   -3.8997648305  -2.1253468642  -2.2373974185
H   -0.4264242183   1.4474058919  -0.8203651946
H   -1.0863018048   0.9050293046  -2.3597775373
H   -0.4787647409  -0.5442938627   1.1276572864
H   -0.9700448248  -2.1100648857   0.4963229153
H    1.3929983692   0.9815700820  -2.3765423851
H    0.7820524627  -0.6313016436  -2.6925900088
H    0.9109191297  -2.3203485135  -0.9179654656
H    1.4823675071  -1.8795629008   0.6686217941
H    2.2542698352   1.5431140131  -0.4926532042
H   -2.9427966766   0.1144697494  -1.6962897858
H    1.9480438812  -0.0147745703   1.9982909721
H   -3.0317771155  -2.5805562698  -0.4757467323
H    0.9182345666   1.7726208779   2.8096517144
H   -4.2115246860  -3.1787002474  -2.2516605048
*