! 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    0.2279486149  -0.9697869884   0.0042831884
O   -2.2436829469  -0.3690277640  -1.5923446305
O   -0.2890476990  -0.9680545013   2.1785250545
O   -0.1143725659   3.2733510181  -1.7912423877
N   -0.3933661872   1.6832066191  -0.1901294543
N    1.7521705687   2.3848867055  -0.8735314224
N    3.7984851923   1.5753027034  -0.9528994726
C    0.0822338063   1.1356199151   1.0759313991
C   -0.5450379154   1.8207472267   2.2916765447
C   -1.8457709222   1.6996562773  -0.3904967991
C   -0.0452656073  -0.3836190504   1.1548868660
C    0.3418038064   2.4863992692  -0.9914470425
C   -0.3607736852   3.3290863001   2.2671976798
C   -2.4392604854   0.3442172848  -0.4608900869
C    0.2100326625  -2.4065713142  -0.0554739328
C    1.4991287773  -3.0184910586   0.4569476658
C   -3.1942021223  -0.3707984244   0.4080552931
C    1.4967158934  -4.5385455112   0.2743181054
C    2.5990450282   3.4689705233  -0.9358346240
C    2.5388674721   1.2679598322  -0.9016414772
C   -3.4766873887  -1.6142652926  -0.2335550760
C   -2.8700911572  -1.5526091394  -1.4408681656
C    3.8507419820   2.9455475283  -0.9624847026
C    0.4206458166  -5.2153432326   1.0630318750
C   -0.5636581713  -5.9403832713   0.5454183141
H    1.1558038854   1.3262982838   1.1461265690
H   -1.6018657166   1.5655444905   2.3930258627
H   -0.0549176129   1.4165673039   3.1774981997
H   -2.0581011965   2.2470518981  -1.3064420980
H   -2.3314047338   2.2520361028   0.4156782189
H   -0.9030189480   3.8120836386   1.4525489945
H   -0.7276582584   3.7673956508   3.1954205818
H    0.6923277022   3.6031181341   2.1740655602
H    0.0749416229  -2.6355979016  -1.1125452479
H   -0.6589238658  -2.7867036727   0.4824893037
H    1.6443258790  -2.7777666294   1.5126635342
H    2.3473000144  -2.5976017339  -0.0886567477
H   -3.5127362945  -0.0523046880   1.3880152909
H    2.4711667452  -4.9176268426   0.5952936958
H    1.3989806139  -4.7882463300  -0.7860655163
H    2.2413042413   4.4844071246  -0.9326626861
H    2.1257508059   0.2723828917  -0.9147520427
H   -4.0507150371  -2.4393759901   0.1554334899
H   -2.8053340939  -2.2434722331  -2.2664300229
H    4.7874172260   3.4796776107  -0.9868477785
H    0.4643336352  -5.0803819604   2.1412958355
H   -1.3157527290  -6.4044673951   1.1711138237
H   -0.6542244498  -6.1026099688  -0.5231076249
*