! 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   2.4356090486  -0.6032208289  -1.8752706968
Cl   0.6532244864  -5.3922029591  -0.3717576866
O   -0.9655085058   0.9666400637   0.6483304230
O    0.2205252967   1.2562840343  -1.2266996586
N    1.2444052705   2.6017987687   1.0720289257
N    0.6875666010   3.0719276902   2.1901383921
N    1.1565238948   4.7496203703   0.7860006907
C    0.2359265176   0.6315836222   0.0194463244
C   -1.8531660884   1.5753400310  -0.2906031779
C   -1.1361824882   1.3497914250  -1.6131765240
C   -3.2369473638   0.9682688122  -0.2211703623
C    1.3979143123   1.1888312777   0.8485452239
C    0.3602455090  -0.8870328752  -0.1098945545
C   -3.9488257528   1.2003049480   1.1051171687
C    1.3061511953  -1.5091551224  -0.9239795143
C   -0.4797945156  -1.7134796308   0.6308678867
C   -5.3481579996   0.6057210258   1.1182913644
C    1.4020453779  -2.8903846528  -1.0114064111
C   -0.4062692443  -3.0941734295   0.5639812255
C    1.5114440374   3.6119394842   0.2405077467
C    0.5385514842  -3.6718954876  -0.2647098201
C    0.6588214675   4.3609934170   1.9765673660
H   -1.9110725036   2.6472136316  -0.0659068152
H   -1.4728508032   0.4295164853  -2.1069875696
H   -1.2479922847   2.1777820579  -2.3115018120
H   -3.1750088841  -0.1039746274  -0.4357643281
H   -3.8277708417   1.4100197532  -1.0310396603
H    2.3505911672   1.0032906548   0.3550868352
H    1.4293472108   0.6966667077   1.8189622551
H   -4.0053612760   2.2749406013   1.3029985481
H   -3.3631744402   0.7698755336   1.9215391092
H   -1.2186540697  -1.2709592513   1.2831313234
H   -5.8500081554   0.7871431049   2.0697994181
H   -5.9718516095   1.0351545049   0.3315838613
H   -5.3228897032  -0.4747733610   0.9629542753
H    2.1421095410  -3.3456544220  -1.6549651207
H   -1.0797449634  -3.7031231862   1.1510116602
H    1.9662774639   3.4757731812  -0.7273781178
H    0.2685940469   5.0505002795   2.7093507892
*