! 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    0.4257016661   2.2050559953  -0.6686977867
N   -1.3985683066   0.8905143198  -0.4806062939
N   -1.2955497651  -1.4193485346  -0.2366018018
N   -3.3328359077  -0.3781743323  -0.3037363888
C    2.2333348728  -0.0439174293  -0.4492598638
C    2.8127454746   0.2603423639   0.9343202982
C    0.7367674380  -0.1408671904  -0.4394454860
C    4.3346689071   0.3615846628   0.9601013115
C    0.0517704979  -1.3230506934  -0.2872235023
C   -0.0200320513   1.0682573165  -0.5385759664
C   -1.9926838162  -0.3147366711  -0.3337251447
C    5.0482661729  -0.9503308180   0.6643980257
C    0.7806202494  -2.6262084466  -0.1608561178
C   -4.2329476863   0.7430689962  -0.1222646664
C   -4.2737898585   1.2770619327   1.3009226609
H    2.6608488549  -0.9695547268  -0.8388671142
H    2.5453395865   0.7416600607  -1.1432658767
H    2.3844569839   1.2003874085   1.2927929462
H    2.4891075901  -0.5102677794   1.6423450249
H    4.6609149688   1.1261473584   0.2477472311
H    4.6443663807   0.7188799311   1.9460817855
H   -1.9546427432   1.7314987233  -0.5696086767
H    4.7353886770  -1.7347396760   1.3574447458
H    6.1298523343  -0.8422487270   0.7612433580
H    4.8531510780  -1.3100008190  -0.3470331751
H    1.3167396584  -2.8713212229  -1.0799807135
H    0.0836131381  -3.4354025746   0.0467670247
H    1.5203827338  -2.5994800536   0.6403939135
H   -3.6942360410  -1.2964109958  -0.0970250405
H   -3.9831903122   1.5391318770  -0.8272784361
H   -5.2219832698   0.3966924393  -0.4173774151
H   -4.5741017344   0.4973355135   2.0016255101
H   -3.3069683076   1.6661754193   1.6234730401
H   -4.9965459122   2.0903981693   1.3750246076
*