! 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   5.9259205937   0.0521088467  -0.2077261900
O   -2.6558195729   0.1050564846   1.7051832593
N   -2.1688705410  -1.7757553134  -0.4547652136
N   -1.2728687175  -2.0222673985  -1.4119122354
N   -1.1453592796  -3.5759350862   0.1921939189
C   -3.1482559784   1.8901277520   0.0407928000
C   -2.4489937485   0.5446645720   0.3897329937
C   -2.4181886163   2.2940081911  -1.2464889923
C   -0.9979385745   0.8150808677   0.0357620364
C   -0.9584457396   1.8582716021  -1.0457905789
C   -2.9945205975  -0.5950187106  -0.4957768677
C   -2.8580091723   2.9133720643   1.1420596373
C   -4.6561917159   1.7824630708  -0.1430307498
C    0.0024820695   0.1767073173   0.6495053989
C    1.4413431660   0.2259536172   0.4078189431
C   -2.0783876944  -2.7058836871   0.4989408601
C    2.2477978808  -0.6471429123   1.1484064058
C    2.0788844304   1.0550103379  -0.5219284515
C   -0.6838788999  -3.1090919846  -0.9847897791
C    3.6183367916  -0.7082659674   0.9720087579
C    3.4506278280   1.0082237718  -0.7079934464
C    4.2136839613   0.1232680518   0.0367583316
H   -2.5057676369   3.3634939448  -1.4438420447
H   -2.8539664376   1.7859226176  -2.1103168106
H   -0.3400969202   2.7055984367  -0.7392575493
H   -0.5173916127   1.4742683602  -1.9693578695
H   -3.0604381265  -0.2958213269  -1.5390446881
H   -3.9986945757  -0.8644567280  -0.1664299069
H   -1.7913746798   3.0288747243   1.3507786938
H   -3.2326235460   3.8948087770   0.8457913729
H   -3.3532718648   2.6562952113   2.0805465546
H   -4.9376903277   1.1391615780  -0.9781200209
H   -5.1435914448   1.3994841404   0.7562002653
H   -5.0832072178   2.7664631594  -0.3467173803
H   -2.1445410927   0.6572430921   2.3071089685
H   -0.2751342126  -0.5274721300   1.4288213101
H   -2.7048400060  -2.7158762518   1.3765761962
H    1.7897127638  -1.3029845656   1.8788467045
H    1.5177746164   1.7528413018  -1.1233970614
H    0.1043833180  -3.5881981159  -1.5450457937
H    4.2120134118  -1.3993148329   1.5552741764
H    3.9168321496   1.6586323147  -1.4360014436
*