! 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   6.2605761110  -1.3042748012   2.6801200107
N   -3.6228077892   0.9298420037   0.4489249988
N   -3.8386352656   2.1308743767  -0.0928036371
N   -5.6460682687   0.8312654314  -0.3255934755
N   -2.4189226398  -2.4895952296  -0.4310379051
C   -1.4074761429  -0.1166745494  -0.0072565226
C   -0.0361592914  -0.3305148151   0.6717452737
C   -2.3429410357   0.5862631254   1.0088216853
C   -1.3011775084   0.6962773724  -1.2900485802
C    0.9891039600  -1.0366231022  -0.2128430684
C    2.3185427828  -1.1261546125   0.4810776882
C   -1.9753140311  -1.4403149685  -0.2743602297
C   -0.6791493323   1.9421683442  -1.2446207352
C   -1.8306069296   0.2565135723  -2.4961769686
C    2.6327514007  -2.2101936314   1.2954496635
C    3.2503032667  -0.0986230761   0.3615952772
C   -0.5840069135   2.7255310767  -2.3823038994
C   -1.7378070416   1.0431163527  -3.6378553973
C   -4.7089990230   0.1630510200   0.2994785683
C   -1.1145040490   2.2786536819  -3.5857502237
C    3.8405722961  -2.2742508700   1.9744533563
C    4.4633473520  -0.1438858350   1.0316509021
C   -5.0611700702   2.0267007903  -0.5423801216
C    4.7472843772  -1.2356432328   1.8365308370
H   -0.1861037896  -0.8978729280   1.5939063469
H    0.3465822122   0.6463152209   0.9745232159
H   -2.4920872484  -0.0503284707   1.8805010504
H   -1.8729089154   1.5064602020   1.3502467475
H    1.1016106525  -0.4939717363  -1.1537321551
H    0.6368187662  -2.0390722358  -0.4685127835
H   -0.2638224191   2.3195449032  -0.3182443663
H   -2.3232915543  -0.7049188446  -2.5689596790
H    1.9280885685  -3.0261718834   1.4037720587
H    3.0331286989   0.7554065673  -0.2692653069
H   -0.0962746081   3.6900789066  -2.3275079306
H   -2.1566324594   0.6817731058  -4.5680538788
H   -4.7733679334  -0.8496469159   0.6662558175
H   -1.0405080500   2.8911445621  -4.4749286632
H    4.0684296963  -3.1265129423   2.6004086317
H    5.1760252431   0.6625744900   0.9225624015
H   -5.5555903941   2.8467830014  -1.0395680377
*