! 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
O   -3.3787370393  -1.3974366731  -0.1014657346
O    0.7339623861   2.7148226943  -0.3585065637
O   -1.6641348313   0.7662682180  -1.6614679977
O   -2.4783000306   0.1758152201   1.1989673282
N   -0.1023501556  -0.1668128866  -0.3464992578
C   -1.0351532564  -1.2657244256  -0.1016880462
C    1.2774687313  -0.2987363744  -0.0002233419
C    1.7537289013   0.1877857159   1.2169264953
C    2.1204920259  -0.9602915822  -0.9053549753
C   -0.5228347746  -2.2563139529   0.9359469284
C   -0.5392308364   0.8050183164  -1.1840401924
C   -2.3632500732  -0.7097800155   0.3908367872
C    3.1072120729   0.0159643046   1.5081924041
C    3.4624664991  -1.1081544371  -0.5805183204
C    0.8820450081   0.8728933893   2.2237842206
C    1.5932421313  -1.5102393995  -2.1976100209
C    3.9549940698  -0.6203867547   0.6214084979
C    0.4054314539   1.9623459258  -1.4916336176
C   -4.6863419055  -1.0451377223   0.3494706933
C   -0.3582621362   3.4341452538   0.1688547324
H   -1.2169182589  -1.8070334437  -1.0349720222
H   -1.2675665720  -3.0386564547   1.0833115906
H    0.3924518899  -2.7440431344   0.6042409728
H   -0.3347172669  -1.7843304140   1.8997657141
H    3.4945736983   0.3893112919   2.4489900334
H    4.1263907550  -1.6133387365  -1.2712469768
H    1.2121285235   1.9002856408   2.3829287441
H   -0.1639641121   0.8985063325   1.9342455750
H    0.9473163132   0.3686035723   3.1896745207
H    1.0983170969  -0.7538828846  -2.8102150084
H    2.4011982849  -1.9276087746  -2.7971234263
H    0.8697228746  -2.3123033152  -2.0354343375
H    5.0025542501  -0.7423997079   0.8658532857
H    1.3410877517   1.5935578814  -1.9186117584
H   -0.0845385386   2.5758385451  -2.2574576006
H   -4.9317062486  -0.0147053438   0.0919721711
H   -4.7902566334  -1.1838112619   1.4256789057
H   -5.3705400020  -1.7140546145  -0.1651832712
H    0.0178966776   4.0558191354   0.9802846878
H   -1.1423272144   2.7860396151   0.5751250848
H   -0.8151079395   4.0885434665  -0.5830441339
*