! 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   -3.5637057349  -0.7461798409  -1.7808247880
O   -1.0618486407  -0.9794652631  -0.7368810815
N   -2.0427056486   0.9374378187   0.1587741388
N   -2.3032796522   1.6613677329  -0.9357358640
N   -1.9148635372   3.0017630356   0.8101292386
C   -4.6467192421  -0.8280558308   0.4299205264
C   -3.3836897694  -1.0828329672  -0.4316659054
C   -2.0657545351  -0.5091320782   0.1175513661
C   -4.3831437346  -1.2301490628   1.8822023894
C   -5.1532264798   0.6153644934   0.3830299646
C   -5.7485197396  -1.7362142223  -0.1278195775
C    0.2506712228  -0.7642232749  -0.4602820980
C   -1.8097154499   1.7540094773   1.1923091362
C    0.7569047720  -0.4105170271   0.7840831989
C    1.1243602555  -0.9499820970  -1.5280782297
C   -2.2144328597   2.8909747942  -0.4994934292
C    3.0130554820  -0.4073251549  -0.1139049350
C    2.1244391369  -0.2298578964   0.9424088672
C    2.4839331837  -0.7817177915  -1.3510893753
C    4.4646375632  -0.2065680828   0.0627704986
C    5.3825904999  -1.0807863059  -0.5220833768
C    4.9527249794   0.8649858800   0.8124657902
C    6.7468296427  -0.8892800532  -0.3621290074
C    6.3171817475   1.0573595700   0.9711631478
C    7.2202098929   0.1811620924   0.3845421198
H   -3.2230166039  -2.1676956506  -0.4084957042
H   -1.9204020117  -0.8551820441   1.1441185250
H   -3.9610989584  -2.2356677684   1.9569130159
H   -3.7074309707  -0.5447580505   2.3980314055
H   -5.3164562979  -1.2297702372   2.4480477139
H   -5.3137451275   0.9686541571  -0.6367658898
H   -4.4981626978   1.3232821625   0.8910884119
H   -6.1186085697   0.6762975111   0.8897530540
H   -5.9977722992  -1.4897914677  -1.1602460063
H   -6.6610621509  -1.6340382785   0.4629418887
H   -5.4568402838  -2.7891339429  -0.0978042432
H   -3.4505677078   0.2089326350  -1.8879664347
H   -1.5815055507   1.4019940739   2.1864462994
H    0.1245071362  -0.2987897414   1.6537863791
H    0.7301424993  -1.2216210098  -2.4991999503
H   -2.3744903042   3.7388587020  -1.1466329089
H    2.4973139861   0.0329520535   1.9244484768
H    3.1395880570  -0.9162659642  -2.2023247013
H    5.0290449124  -1.9311766917  -1.0923725095
H    4.2617796328   1.5703235679   1.2579142894
H    7.4419126865  -1.5827716316  -0.8178732776
H    6.6751370561   1.9003550772   1.5482185995
H    8.2848970815   0.3316179330   0.5077810855
*