! 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   -0.1944508518  -1.1755663820   1.1636292228
O   -1.6822315244  -0.3438736927  -1.9038613668
O   -1.7020845477  -0.5283142453   2.6796410663
O    0.1137739783   2.5171883589  -1.7103983172
N   -0.5499782154   1.4491682918   0.1776187157
N    1.7328810367   1.7970177919  -0.2994647587
N    3.6799857147   0.8484709666   0.1004804910
C   -0.3247990104   1.1309986656   1.5841472453
C   -0.9141041191   2.1736906776   2.5301141172
C   -1.9405914753   1.4354000513  -0.2747238406
C   -0.8402203273  -0.2767091353   1.8784054133
C    0.3709246164   1.9515208889  -0.6715086162
C   -0.3789614478   3.5696158202   2.2556758384
C   -2.3486981885   0.1179735877  -0.8240283201
C   -0.5152650365  -2.5659465600   1.3366568000
C    0.5752936222  -3.3760780412   0.6755340551
C   -3.3222324439  -0.7562581710  -0.4736671515
C    0.6728406754  -3.1865397358  -0.8389430342
C    2.6875755598   2.7711081146  -0.4853237526
C    2.3989829612   0.6528723969   0.0386553141
C   -3.2494274202  -1.8324980384  -1.4104460717
C   -2.2321597570  -1.5275160580  -2.2469340659
C    3.8731220838   2.1694323458  -0.2116758520
C    1.8075678067  -3.9702102554  -1.4160214653
C    2.8753679113  -3.4397672478  -1.9998690012
H    0.7491569349   1.1085347822   1.7710079239
H   -2.0051939562   2.1762806603   2.4993587323
H   -0.6441564647   1.8742650310   3.5446645342
H   -2.0894796863   2.2279619320  -1.0075627363
H   -2.5947661790   1.6740988522   0.5628163379
H   -0.7172782199   3.9642713172   1.2962973254
H   -0.7227177515   4.2631508357   3.0230786052
H    0.7128919112   3.5939939368   2.2626652407
H   -1.4932974965  -2.7649043745   0.8913404026
H   -0.5692775746  -2.8024822870   2.4007932621
H    0.3721734041  -4.4267071853   0.8998192353
H    1.5339757516  -3.1431092324   1.1478664758
H   -4.0088421365  -0.6492823217   0.3508835081
H    0.7900322387  -2.1298780265  -1.0908044434
H   -0.2684620621  -3.5123803005  -1.2935005214
H    2.4382731778   3.7797663060  -0.7677669090
H    1.8910655082  -0.2827642839   0.2080524145
H   -3.8688668195  -2.7138815109  -1.4477898955
H   -1.8064218491  -2.0293117198  -3.1010176026
H    4.8554868192   2.6144318292  -0.2214838044
H    1.7432625793  -5.0512091764  -1.3181439325
H    3.6779383013  -4.0569110110  -2.3839833972
H    2.9914059344  -2.3674525284  -2.1162283059
*