! 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
Cl   5.2803000225   3.8326873114  -0.2020959654
O   -1.3840881828  -1.1808904922   1.6278791063
N   -1.2517823365  -2.8504893432  -0.5385096641
N   -1.7228080760  -3.6969743275   0.3814889114
N    0.0347622757  -4.5935980332  -0.6661091558
C   -1.6614541251  -0.5504742161   0.4045271194
C   -2.8428378922   0.4512232475   0.4716336926
C   -0.4916677866   0.4057802667   0.1086926016
C   -2.5641800481   1.4196135062  -0.6905777801
C   -1.0456377563   1.3551512808  -0.9527559742
C   -4.2806797397  -0.0805413414   0.4973247968
C   -1.8939885506  -1.5726364778  -0.7425017697
C    0.8447428202  -0.2443969806  -0.2425383937
C   -4.5194726458  -1.1550030926   1.5558092625
C   -5.2540755738   1.0760898015   0.7167625715
C    1.9673751873   0.7556960293  -0.2456647073
C   -0.2062996722  -3.4001075202  -1.1564959178
C    2.3955331472   1.3633312984  -1.4224185716
C    2.5879872237   1.1248643808   0.9458542622
C    3.4094293598   2.3108328380  -1.4200163718
C    3.6041245625   2.0674775353   0.9701323507
C   -0.9206338487  -4.7259884209   0.2718642989
C    4.0067911431   2.6552738121  -0.2188783687
H   -2.6877605963   0.9934221962   1.4138553839
H   -0.3487075329   0.9749371764   1.0359639405
H   -2.8905319278   2.4315280406  -0.4514775165
H   -3.1229407402   1.1189939037  -1.5812605653
H   -0.8413747069   0.9696009810  -1.9559551497
H   -0.5727349503   2.3359099450  -0.9028737035
H   -4.5172232644  -0.5123921472  -0.4827360348
H   -1.5473462553  -1.1768155059  -1.6970075458
H   -2.9554601188  -1.7813941932  -0.8704088105
H    0.7886605583  -0.7130471123  -1.2281774919
H    1.0684469109  -1.0342274365   0.4788505480
H   -1.9523055582  -1.9489767984   1.7540717181
H   -4.0029709689  -2.0928759581   1.3409716741
H   -4.2129242658  -0.8182593710   2.5487011535
H   -5.5812822981  -1.4032612146   1.6109174834
H   -6.2863440030   0.7208449660   0.7218745932
H   -5.1798913495   1.8344632749  -0.0637854641
H   -5.0725038867   1.5688134946   1.6755851548
H    0.3350705426  -2.9110457074  -1.9508324180
H    1.9361117562   1.0945671887  -2.3660928814
H    2.2809092645   0.6646078646   1.8777608462
H    3.7277542141   2.7696466418  -2.3465486201
H    4.0768391017   2.3349607392   1.9056645780
H   -1.0306140802  -5.6033397642   0.8901223680
*