! 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  -6.5528735854   4.5654964228   0.7845711746
O    1.7521200453   0.8701584025   0.8242019667
O    1.0395513771  -3.1466509174   0.1906175035
N    2.2485691304  -1.2288577081   0.1668705753
N    3.2280626811  -3.2888787848  -0.3990450406
N    4.4120966943  -4.6838851973  -1.6206203942
C    1.1377552813  -0.3893720593   0.7045617597
C    3.4051814832  -0.3806573554  -0.2152734939
C    2.7020503226   0.9783210944  -0.2051275828
C   -0.0322619834  -0.3224919505  -0.2876636423
C    0.7129865713  -0.8213705166   2.0980713162
C    4.5050528056  -0.3931346124   0.8429362991
C    3.9707631119  -0.6583058471  -1.6005615789
C   -1.1281834248   0.6517423189   0.1299063045
C    2.0770709117  -2.5438151607   0.0127197911
C   -2.2019646446   0.7804557308  -0.9517694395
C   -3.3002041233   1.7201947989  -0.5437452618
C    4.2695527515  -3.7085907577   0.3926667166
C    3.3515774629  -3.9304667139  -1.5902972598
C   -4.4206359915   1.2575334439   0.1415926545
C   -3.2053801134   3.0859600418  -0.7991434544
C    4.9890253500  -4.5621082010  -0.3858575789
C   -5.4229405064   2.1222514546   0.5556154524
C   -4.1962790585   3.9677302973  -0.3938769732
C   -5.3015917137   3.4750410570   0.2812708361
H    3.3850485918   1.7957251165   0.0258705117
H    2.2348684439   1.1932988439  -1.1748381700
H   -0.4614308536  -1.3174901886  -0.4050509753
H    0.3476307405  -0.0373481882  -1.2740373173
H    0.1405443974  -0.0257641680   2.5748467497
H    1.5827461601  -1.0240317703   2.7237978976
H    0.0879290903  -1.7105975075   2.0763286659
H    5.0234840564  -1.3486295739   0.8864122069
H    4.1149177167  -0.1689617297   1.8363225165
H    5.2531476675   0.3629413237   0.5997858723
H    3.1823632570  -0.8253781782  -2.3354076943
H    4.5402247654   0.2146558048  -1.9255239346
H    4.6564411330  -1.5034634891  -1.6204855343
H   -1.6005307622   0.3164711504   1.0571652761
H   -0.7053552990   1.6388157876   0.3334790925
H   -2.6212303622  -0.2059337386  -1.1672916942
H   -1.7407946161   1.1319651723  -1.8786186163
H    4.3815154377  -3.4033220638   1.4190825627
H    2.6489109331  -3.7839223878  -2.3963675551
H   -4.5216953861   0.1999400737   0.3552729587
H   -2.3447018710   3.4757076270  -1.3299896739
H    5.8854225551  -5.0999142192  -0.1192200728
H   -6.2881873166   1.7415634292   1.0817800550
H   -4.1059570474   5.0245851794  -0.6068545820
*