! 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    0.2828750275  -2.1216786416  -0.6047823690
O   -2.0569013003   2.6342764583   0.9841177951
O   -1.0499097549  -2.3553980192  -2.3788614958
O    0.7483643340   0.2916568987  -2.1753668493
N   -0.4714066831   0.4258457813  -0.2886165130
N    1.4383824057   1.7771360279  -0.6075577579
N    3.3824670663   2.7769686987  -0.3439222255
C   -1.4278029564  -0.5288153906  -0.8425994362
C   -2.4039006247   0.1030862125  -1.8351970425
C   -0.5935348221   0.6988588755   1.1407008098
C   -0.7113010069  -1.7560376889  -1.3910182048
C    0.5482194381   0.7855614218  -1.0840106522
C   -3.7131245119  -0.6630692593  -1.9539406064
C   -1.8692468065   1.3847037127   1.4647579471
C    1.1301787909  -3.1959231982  -1.0356686607
C    2.3164254490  -3.2558245248  -0.1025583721
C   -2.9695061111   0.9862039834   2.1462237857
C    1.9539226368  -3.5910783715   1.3436358015
C    1.1719199536   3.0038272163  -0.0364545608
C    2.7896215804   1.7096293565  -0.7827732596
C   -3.8967996329   2.0710834110   2.0834723807
C   -3.2875887088   3.0386158166   1.3636272996
C    2.3839310629   3.5968618536   0.1135615463
C    3.1695433258  -3.7381999015   2.2007305680
C    3.4419790236  -2.9991122066   3.2693102038
H   -2.0148253376  -0.8884853585   0.0098826846
H   -2.6242053043   1.1103965741  -1.4759315477
H   -1.9368375619   0.2173773362  -2.8140439581
H    0.2675768760   1.2653524544   1.4911222063
H   -0.5704764451  -0.2500592242   1.6805804215
H   -3.5742631651  -1.6707824846  -2.3422835575
H   -4.2122610455  -0.7412557442  -0.9854303403
H   -4.3947214953  -0.1434768374  -2.6285761846
H    1.4608199933  -3.0134462217  -2.0604435961
H    0.5713623622  -4.1355046844  -1.0229202911
H    2.8652208799  -2.3107570748  -0.1455481092
H    2.9911610086  -4.0203161802  -0.4979433103
H   -3.1058702465   0.0329794613   2.6315554657
H    1.3900417511  -4.5304800316   1.3538430335
H    1.2987595743  -2.8246133626   1.7629889153
H    0.1755648482   3.3543685279   0.1672915432
H    3.2689343513   0.8463495948  -1.2173756673
H   -4.8842875466   2.1180022514   2.5125475822
H   -3.5886498319   4.0262340548   1.0533809062
H    2.5888270967   4.5750768544   0.5191516387
H    3.8761379366  -4.5082323887   1.9009979948
H    4.3443154544  -3.1490541716   3.8486258683
H    2.7720129844  -2.2167923942   3.6086687723
*