! 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   4.9500439925   4.1026890675  -1.5366272863
O   -1.5051447418  -0.7796314365   1.7819823121
N   -1.7862038813  -3.1218562785   0.3678086611
N   -2.6095982191  -3.9071388556  -0.3326467749
N   -2.2759568469  -4.7615300886   1.7061081575
C   -1.5283293933  -0.5831389392   0.3848393219
C   -2.9264463912  -0.0298982464  -0.0603508386
C   -0.3978244822   0.3755961405  -0.0552969476
C   -1.1734769101  -1.9535512006  -0.2312299476
C   -4.0426167623  -1.0550081341   0.1613343237
C   -3.2893721297   1.2146388500   0.7633941615
C   -2.9225575177   0.3614521346  -1.5413175012
C    0.9326974881   0.2031709085   0.6861255803
C    1.9592145360   1.1613381871   0.1499624607
C   -1.5885181137  -3.6505976748   1.5780323085
C    2.1028044224   2.4322625755   0.7001435060
C    2.7603628314   0.8233526712  -0.9377297953
C   -2.8836472279  -4.8697276780   0.5092759199
C    3.0161049973   3.3427498972   0.1896717071
C    3.6802945572   1.7185801520  -1.4631332487
C    3.7996719058   2.9756333319  -0.8922698286
H   -0.7149806489   1.4134562380   0.0701404809
H   -0.2235308462   0.2509301976  -1.1278051850
H   -1.4336870069  -1.9743209107  -1.2867142426
H   -0.0941531250  -2.0990291377  -0.1779633913
H   -3.9900185263  -1.8910836825  -0.5347689479
H   -5.0120525402  -0.5758071988   0.0054202793
H   -4.0420495012  -1.4563711220   1.1759582456
H   -4.2152241485   1.6473125112   0.3801128586
H   -2.5364275736   2.0031863511   0.7192382349
H   -3.4742136847   0.9825060203   1.8144021363
H   -2.6298011759  -0.4629229533  -2.1949188533
H   -3.9278960700   0.6592038661  -1.8462043084
H   -2.2645563885   1.2046792651  -1.7547229219
H    1.3075322882  -0.8185300444   0.5902079387
H    0.7959452527   0.3827506631   1.7534609647
H   -1.5764850241   0.0731385310   2.2238215387
H   -0.9415057516  -3.2122638917   2.3191563112
H    1.4950184895   2.7236173036   1.5486949963
H    2.6732557147  -0.1589016922  -1.3872777677
H   -3.5431198780  -5.6831400487   0.2483258853
H    3.1143442698   4.3234472480   0.6355533609
H    4.2967074618   1.4344472999  -2.3054517976
*