! 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   4.6088289259   3.8248693654   1.0535650412
O   -2.3633372200  -1.3509509446   1.3182695537
N   -1.1220140079  -2.7949055073  -0.9372466808
N   -0.8849894021  -3.4383150711   0.2085766482
N    0.4789091235  -4.1885062792  -1.3890105358
C   -2.1787353420  -0.7404209725   0.0662007201
C   -3.3479759897   0.2606765327  -0.2046912290
C   -0.9507521586   0.2005877591   0.0282436234
C   -2.7664235968   1.1697086268  -1.3042422278
C   -1.2326212120   1.1418454151  -1.1451162600
C   -2.1808885084  -1.8097386471  -1.0443790183
C    0.4511458337  -0.4126365915   0.0215970857
C   -3.6544807668   1.0827523190   1.0537807340
C   -4.6569444733  -0.3957475696  -0.6389996617
C    1.5037844495   0.6317810199   0.2730992257
C   -0.3052957581  -3.2574289802  -1.8824599238
C    1.7591457862   1.0834343324   1.5663343016
C    2.2303991081   1.1945357615  -0.7718396265
C    2.7079339807   2.0625052125   1.8165690521
C    3.1836314485   2.1771255188  -0.5437216055
C    0.0874492161  -4.2594493764  -0.1062578078
C    3.4145756461   2.6034053765   0.7535342024
H   -1.0168295702   0.7790544139   0.9551258654
H   -3.1725678933   2.1799651265  -1.2292887110
H   -3.0521761915   0.8024837528  -2.2928466923
H   -0.7590965839   0.7687166924  -2.0576594066
H   -0.8148728713   2.1335644546  -0.9706067472
H   -2.0897306714  -1.3604344991  -2.0328137613
H   -3.1255996535  -2.3531836563  -1.0207635225
H    0.6615858639  -0.8959433872  -0.9338395630
H    0.5239292503  -1.1792380399   0.7969910207
H   -4.4020807836   1.8403103727   0.8119069730
H   -4.0655337658   0.4667760258   1.8537868631
H   -2.7905933142   1.6126162551   1.4548350585
H   -4.5946049511  -0.8853310721  -1.6117908465
H   -4.9999379088  -1.1334235635   0.0900163758
H   -5.4409507961   0.3598323758  -0.7241843459
H   -1.8049294266  -2.1422351794   1.3686411554
H   -0.3124342052  -2.8896273551  -2.8967739311
H    1.2141305025   0.6596758658   2.4019672112
H    2.0590474243   0.8609846379  -1.7884288675
H    2.8953286006   2.3935850248   2.8293745303
H    3.7390657690   2.5990785824  -1.3706299144
H    0.5236973425  -4.9310652070   0.6165850346
*