! 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    0.2322196156  -0.8681538094   1.0708427432
O   -1.5648119293  -0.4264337045  -1.7318460429
O   -1.0298823213  -0.3401378922   2.8335362516
O   -0.1051328834   2.6392881042  -1.9131606865
N   -0.4768050100   1.6428176701   0.0913476565
N    1.6974245599   2.2263242089  -0.6024255815
N    3.7757996902   1.5666591654  -0.3046311468
C   -0.0877891259   1.4269534104   1.4804902351
C   -0.7350989302   2.4260069344   2.4371534630
C   -1.8914491305   1.4467700840  -0.2254389861
C   -0.3677364214  -0.0199219359   1.8816158356
C    0.3017959471   2.1875950773  -0.8663958895
C   -0.4694933269   3.8674435663   2.0347709355
C   -2.1942509994   0.0531760887  -0.6381663410
C    0.0204594353  -2.2731777060   1.2788092478
C    0.7164373593  -3.0181721803   0.1622761690
C   -3.0210496094  -0.8913376421  -0.1293797637
C    0.3715118903  -4.5068342019   0.2063104663
C    2.4931331697   3.3185234176  -0.8604289474
C    2.5326001773   1.1934475337  -0.2861032731
C   -2.8873326251  -2.0362047702  -0.9734561699
C   -1.9865667078  -1.6945128971  -1.9219922980
C    3.7651156085   2.8930135185  -0.6489394664
C    1.0659326690  -5.2683534989  -0.8766845397
C    0.4554252374  -5.8873136191  -1.8798624177
H    0.9913214292   1.5607200369   1.5670250679
H   -1.8091597213   2.2536434938   2.5284313076
H   -0.3163383914   2.2418170643   3.4278336749
H   -2.1877579211   2.1579970603  -0.9956974651
H   -2.4931147379   1.6818214344   0.6515678069
H   -0.9586520271   4.1349294507   1.0967771341
H   -0.8499025620   4.5473428250   2.7969037752
H    0.5981781958   4.0685387512   1.9251809214
H   -1.0521826788  -2.4804352071   1.2732480355
H    0.4182411942  -2.5637560707   2.2543437238
H    1.7988108880  -2.8821511545   0.2381159429
H    0.4053099546  -2.6078148912  -0.8012024964
H   -3.6461260285  -0.7887392822   0.7434036659
H   -0.7107675484  -4.6350297986   0.1156643450
H    0.6588959742  -4.9170315414   1.1802764651
H    2.0872009143   4.2752198897  -1.1428074859
H    2.1701086589   0.1985199633  -0.0824606309
H   -3.3890015149  -2.9852592029  -0.8774614865
H   -1.5693495546  -2.2223382750  -2.7645680573
H    4.6735746361   3.4693425119  -0.7244905785
H    2.1517570806  -5.2873337647  -0.8271272127
H    1.0130090424  -6.4142029718  -2.6441711604
H   -0.6248215432  -5.8950960522  -1.9753969683
*