! 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   -4.5787471990   0.5061050150  -0.0385719369
O   -1.2649971886  -0.6749539775  -0.5877681737
N   -2.1838314351   1.4479936351  -0.7582144090
N   -2.1708898817   2.6188760173  -0.1208457447
N   -2.2403212162   2.9317837168  -2.3350375374
C   -3.8630517694  -1.5407264044   0.9665237556
C   -3.5882753650  -0.4846776579  -0.1286897200
C   -2.2014275507   0.1917578766  -0.0287563822
C   -5.1924736850  -2.2216548892   0.6254056097
C   -2.7756114435  -2.6169516771   1.0072094565
C   -3.9748961419  -0.8942366489   2.3492318477
C    0.0610152197  -0.5106256995  -0.3327115202
C   -2.2287227235   1.6459868183  -2.0798635867
C    0.8928534090  -1.5163599244  -0.8164664808
C    0.6103512617   0.5650314030   0.3542250123
C   -2.2021866595   3.4804012166  -1.1042751150
C    2.8344445520  -0.3723634323   0.0706786968
C    2.2577367891  -1.4441419949  -0.6150556886
C    1.9840375795   0.6207179444   0.5476530577
C    4.2939009588  -0.2924948777   0.2762285016
C    5.0381481778  -1.4339220587   0.5802084346
C    4.9644988524   0.9274115740   0.1697186990
C    6.4097708798  -1.3578478987   0.7712036809
C    6.3358877093   1.0037157924   0.3617192974
C    7.0649818739  -0.1386702663   0.6628307061
H   -3.6265025595  -0.9928866232  -1.1031848523
H   -1.9672061922   0.4508630643   1.0083593624
H   -5.4317975561  -2.9806065651   1.3725219376
H   -6.0224416420  -1.5160594682   0.5981585467
H   -5.1476817765  -2.7238042300  -0.3440312640
H   -3.0916594843  -3.4218418232   1.6740746218
H   -1.8228246719  -2.2506736974   1.3911198229
H   -2.5954531602  -3.0624565978   0.0271444099
H   -4.7688068417  -0.1495759307   2.3975612606
H   -3.0464298824  -0.4149353444   2.6656497426
H   -4.2017799100  -1.6566329383   3.0966912701
H   -4.7940860885   0.8321219928  -0.9160238222
H   -2.2424507105   0.8473741177  -2.8053015065
H    0.4663223710  -2.3520557452  -1.3571481113
H    0.0068920598   1.3716839681   0.7475789335
H   -2.1959659394   4.5450093459  -0.9293547963
H    2.8835525185  -2.2300945406  -1.0189318610
H    2.3874690140   1.4600136155   1.1002653796
H    4.5404273503  -2.3897663872   0.6898920846
H    4.4152072086   1.8246008898  -0.0880455872
H    6.9666076279  -2.2539610575   1.0135170382
H    6.8368778990   1.9585656735   0.2662606343
H    8.1354123752  -0.0793514357   0.8112459406
*