! 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    1.0473087189   0.6013298688  -1.3324664400
N    1.0732699683  -2.2513436554  -0.7843735032
N    0.7522282626  -2.8484234281   0.3632396418
N   -0.7117391583  -3.3985152475  -1.2379661014
C    3.3043801053   0.8348840838  -0.3295467950
C    1.9461923733   0.0573916461  -0.4096950671
C    3.9406486602   0.2593196894   0.9470359146
C    1.5187243185   0.0799181393   1.0422600501
C    2.7657617535  -0.1349682186   1.8621033727
C    2.2153330147  -1.3802754593  -0.8890716352
C    3.0222422158   2.3280111822  -0.1404740249
C    4.1859520508   0.6621932711  -1.5599421722
C    0.3546229007   0.3988629776   1.6157672555
C    0.1932842085  -2.5876835078  -1.7318410893
C   -0.3238771250  -3.5234116348   0.0471642952
H    4.6027096611   0.9862648398   1.4195275671
H    4.5600349315  -0.6087982755   0.7122350642
H    2.7350748388   0.4504087816   2.7814833027
H    2.8381506986  -1.1827227787   2.1663237471
H    3.0305121721  -1.8393510511  -0.3329083931
H    2.5085511447  -1.3601544711  -1.9383826142
H    2.3748018085   2.5339978380   0.7148723820
H    3.9586268383   2.8618365778   0.0304646240
H    2.5639366068   2.7754767839  -1.0251572022
H    5.0794416659   1.2826697100  -1.4705274207
H    4.5299684583  -0.3636631682  -1.6975476696
H    3.6694080894   0.9703391375  -2.4710740466
H    0.7038539226   1.4359504928  -0.9964143483
H    0.2549678205  -2.2271549946  -2.7465547809
H   -0.8460657724  -4.1338952364   0.7670020377
C   -0.9792485433   0.6943374228   1.0763148916
C   -3.5666996348   1.3366597273   0.2348735871
C   -1.5606356135   0.0565938857  -0.0198831192
C   -1.7525703371   1.6423301569   1.7554823617
C   -3.0308769775   1.9744754719   1.3426368524
C   -2.8407905677   0.3731244714  -0.4449250907
H   -1.0235437282  -0.7103563394  -0.5513325979
H   -1.3420348191   2.1378267486   2.6269518470
H   -3.6017364268   2.7175228389   1.8826321243
H   -3.2680230394  -0.1394450186  -1.2961585009
Cl  -5.1676109822   1.7345620652  -0.2924717335
H    0.3973947621   0.5016319872   2.6979846245
*