! 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   -0.2085572147  -0.8898669869   1.2627231712
O   -1.0018910856  -0.6221213102  -1.7098839263
O   -2.0467888661  -0.5628460072   2.4875413858
O    1.6835122134   2.3863400046   1.3299306816
N   -0.2280735874   1.6265241734   0.3647588076
N    1.6773841488   2.1526841717  -0.9181153566
N    3.0546673640   2.9724889488  -2.4283524278
C   -0.8299157132   1.3461150061   1.6625696252
C   -2.0304141185   2.2291323877   1.9917166378
C   -1.1290794732   1.6343115639  -0.7879711198
C   -1.1284939466  -0.1376373218   1.8330820955
C    1.0482404704   2.0642021232   0.3487113357
C   -1.6984612900   3.7113233708   1.9180922229
C   -1.7456187409   0.3156712830  -1.0821961400
C   -0.3258615178  -2.3137976882   1.3930678383
C    0.8160674686  -2.9439131820   0.6282067661
C   -2.9820280298  -0.1784912218  -0.8272141739
C    0.7020151668  -4.4683171640   0.6411477260
C    1.7406063162   1.2227858833  -1.9344146937
C    2.5087712676   3.1755403027  -1.2688856595
C   -2.9938614405  -1.5152602586  -1.3278095135
C   -1.7637656778  -1.7254331384  -1.8491322403
C    2.5932917203   1.7517868852  -2.8485809660
C    1.7976086717  -5.1175985583  -0.1413174678
C    2.6892164379  -5.9666379894   0.3544610266
H   -0.0666214098   1.5584609191   2.4163078903
H   -2.8870661583   1.9970050562   1.3545116173
H   -2.3430262841   1.9842617460   3.0072368072
H   -0.6109485647   2.0287238438  -1.6592923530
H   -1.9400003006   2.3381301658  -0.5922530077
H   -0.8677194500   3.9664391529   2.5783597931
H   -1.4300106410   4.0374637691   0.9114655444
H   -2.5581355358   4.3059540308   2.2277630300
H   -1.2903909701  -2.6396178683   0.9960637028
H   -0.2854494697  -2.5908279078   2.4498548661
H    1.7702095129  -2.6423081221   1.0680692719
H    0.8126477391  -2.5836607402  -0.4041979520
H   -3.7905265977   0.3438410445  -0.3405709513
H   -0.2635380311  -4.7545460228   0.2091354667
H    0.7076127880  -4.8382002803   1.6699934414
H    1.2203732861   0.2821789914  -1.9055123051
H    2.6470242988   4.0412874344  -0.6405637679
H   -3.8091417112  -2.2198187120  -1.3012449515
H   -1.3106307997  -2.5681992187  -2.3461389171
H    2.9047025493   1.3149557213  -3.7843585756
H    1.8522276066  -4.8523873544  -1.1944219773
H    3.4656590882  -6.3979166925  -0.2647554201
H    2.6824658647  -6.2594412627   1.3984352439
*