! 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   -3.3847487748  -1.3696801069  -0.1516357363
O    0.7248182930   2.7292380396  -0.3203116741
O   -1.6753522586   0.7979352921  -1.6120500047
O   -2.4733573263   0.0980298829   1.2605880549
N   -0.1045852342  -0.1696005881  -0.3339230072
C   -1.0369293741  -1.2758663517  -0.1153964683
C    1.2764786015  -0.3060138834   0.0066202273
C    1.7569328555   0.1722726760   1.2256968327
C    2.1174473126  -0.9582985323  -0.9072345003
C   -0.5198220561  -2.2929750254   0.8936842360
C   -0.5433333759   0.8194990859  -1.1506554862
C   -2.3636296816  -0.7371091204   0.3994667891
C    3.1126812198   0.0033593831   1.5086891391
C    3.4612810591  -1.1049217796  -0.5895445872
C    0.8894326139   0.8468508499   2.2434620318
C    1.5869754524  -1.4994443470  -2.2017131307
C    3.9581624837  -0.6238521890   0.6133007784
C    0.4057820530   1.9748193387  -1.4542697880
C   -4.6931823130  -1.0288611689   0.3050369127
C   -0.3734147672   3.4416988272   0.2021421185
H   -1.2204177477  -1.7907631523  -1.0630217544
H   -0.3140102663  -1.8435022952   1.8644731422
H   -1.2693988192  -3.0721449690   1.0345596914
H    0.3863489184  -2.7814328003   0.5384995068
H    3.5041713325   0.3708917808   2.4500832649
H    4.1237521039  -1.6026982995  -1.2869532540
H    1.2093524834   1.8777652982   2.3998481539
H   -0.1604147508   0.8601959195   1.9676096738
H    0.9734199199   0.3425237678   3.2076917302
H    0.8813667710  -2.3179462845  -2.0433765271
H    1.0703294584  -0.7450248137  -2.7980215551
H    2.3965148384  -1.8928070266  -2.8149863852
H    5.0072702498  -0.7437094523   0.8519805134
H    1.3446061852   1.6063540679  -1.8739271146
H   -0.0789662405   2.5869077696  -2.2248025939
H   -5.3820124443  -1.6116600372  -0.2992245308
H   -4.9026184765   0.0309054944   0.1657338139
H   -4.8317204588  -1.2865831661   1.3552168639
H   -1.1481704515   2.7893638019   0.6198119296
H   -0.8417009851   4.0808982864  -0.5557804409
H   -0.0021467512   4.0784917372   1.0040155003
*