! 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   5.2872347369  -0.2519078865   3.7636539322
N   -3.1104891925   0.7119508908   0.2796861229
N   -2.5359612437   1.3158742447   1.3248170850
N   -3.7298072094   2.7854684735   0.1292129580
N   -1.5965297051  -3.4715616798  -1.3841330039
C   -1.5395213060  -0.9358578847  -0.7473811266
C   -0.3469434323  -0.7644718671   0.2188534551
C   -2.8913232462  -0.6766940119  -0.0152400598
C   -1.4628499079  -0.0613567580  -1.9922960727
C    1.0186462186  -1.0481545140  -0.4068534710
C    2.1107129079  -0.8600740761   0.6082749419
C   -1.5733308016  -2.3513026663  -1.1264745040
C   -1.9758250614  -0.4945945016  -3.2113806518
C   -0.9592809036   1.2343797646  -1.9018879252
C    2.5657324530  -1.9263795611   1.3780419918
C    2.6594569891   0.3991250453   0.8369228680
C   -1.9761838415   0.3436876623  -4.3177460352
C   -0.9604830930   2.0722948872  -3.0066932777
C   -3.8140113558   1.6028349116  -0.4265078988
C   -1.4678694248   1.6300054604  -4.2198395205
C    3.5414104061  -1.7503797703   2.3483309599
C    3.6339049056   0.5966014376   1.8033402816
C   -2.9347716957   2.5554382279   1.1931094691
C    4.0669516265  -0.4850920129   2.5536113308
H   -0.5067498528  -1.4350960140   1.0672725178
H   -0.3648353277   0.2433691545   0.6341167739
H   -3.7157992992  -1.0131338865  -0.6422739865
H   -2.9257330933  -1.2434413859   0.9144721665
H    1.1898663894  -0.3850240135  -1.2571636105
H    1.0505171228  -2.0686520952  -0.7968906825
H   -2.3829365281  -1.4931235498  -3.3163711526
H   -0.5581984654   1.6101537371  -0.9692794158
H    2.1582109776  -2.9179786068   1.2203761652
H    2.3288128757   1.2480943101   0.2500886941
H   -2.3755442488  -0.0147484174  -5.2575812425
H   -0.5633230084   3.0746717892  -2.9142225183
H   -4.3650310737   1.3414570687  -1.3166579792
H   -1.4662746672   2.2834078206  -5.0825225193
H    3.8854324039  -2.5930552676   2.9328753115
H    4.0491353988   1.5825525118   1.9636751343
H   -2.6468353006   3.3221942641   1.8957579467
*