! 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   -4.1402147553   0.1451561742  -0.4799740694
O    1.9723511422  -2.1967402137   0.4402786878
N    0.5619234531  -0.4213290277   0.2225390719
C   -4.0515451804   1.5729058752  -0.4265853403
C   -3.0396071517  -0.6225141624  -0.3849745539
C   -0.6771571356  -1.0204112225  -0.0289386877
C    2.8869244282  -0.0202988386   0.6447557077
C   -1.7616540717  -0.1421115222  -0.1309393165
C    3.2133908883   0.9921064020  -0.2646349772
C   -3.5506130049   2.1327627258  -1.7467918535
C   -5.4428259040   2.0688928184  -0.0900385383
C    1.7750860150  -0.9954955099   0.4136854893
C   -3.2367469191  -1.9968423979  -0.5430579079
C   -0.8709654302  -2.3895337640  -0.1835767078
C    3.6398809722  -0.1996335790   1.8041457659
C   -2.1576411919  -2.8507019516  -0.4389052494
C    4.2911615120   1.8216156077   0.0440834179
C    2.4730421564   1.2058369299  -1.5554799445
C    4.6931353916   0.6471652415   2.0996780761
C    5.0178630436   1.6642377126   1.2127895061
H   -3.3765108025   1.8675115034   0.3844520401
H   -1.5797660143   0.9172385448  -0.0018935564
H    0.5324472337   0.5822629969   0.3197847963
H   -2.5577268724   1.7659792430  -2.0094355875
H   -4.2312631736   1.8758252381  -2.5603141847
H   -3.4902198986   3.2200517481  -1.6894938280
H   -5.4397650682   3.1560584166  -0.0135706959
H   -5.7863772408   1.6703969504   0.8651673749
H   -6.1630255836   1.7890513932  -0.8607747162
H   -4.2299976820  -2.3787567150  -0.7414856265
H   -0.0570950809  -3.0902340165  -0.1096596562
H    3.3866657887  -1.0001892172   2.4877110358
H   -2.3146929413  -3.9148342893  -0.5595571906
H    4.5694611064   2.6016030404  -0.6543512822
H    1.6258909897   1.8847667943  -1.4305306398
H    3.1294023965   1.6587043990  -2.2980241749
H    2.0904924618   0.2799950899  -1.9828886829
H    5.2601696823   0.5095180091   3.0106787717
H    5.8456540200   2.3284681921   1.4246557687
*