! 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   4.3217551755  -1.6106343923   0.1447532352
O   -1.9143662244   0.3568784820  -1.2814794009
N   -0.5863554612   2.4684830137   0.3452079324
N   -0.5333119233   2.8195951986  -0.9422911980
N    1.1352451889   3.7779940423   0.1900632772
C   -2.0503438617  -2.2783658902   0.1561318186
C   -3.0814190191  -3.3594955767   0.0213013392
C   -2.4803177962  -2.7362588415  -1.2005999596
C   -2.3563256491  -0.8928733038   0.7016481078
C   -1.4527541048   0.1764321436   0.0314570123
C   -3.8358042736  -0.5263674500   0.6322527545
C   -1.5668504367   1.5122771173   0.8043539777
C    0.0036494266  -0.2763564735   0.0537497451
C    0.6895572875  -0.4067965330   1.2601810008
C    0.6815997745  -0.5783280469  -1.1206874548
C    2.0120731112  -0.8169605231   1.2991417378
C    2.0068627326  -0.9902436289  -1.1013462032
C    0.4198113283   3.0381309907   1.0059694252
C    2.6643852666  -1.1037418496   0.1105838844
C    0.5146054508   3.6049658714  -0.9893695141
H   -1.0745195474  -2.6440770852   0.4567453834
H   -4.1170266004  -3.1335041217   0.2412729688
H   -2.7900734591  -4.3683021923   0.2864955380
H   -1.7741525755  -3.3135740165  -1.7846334802
H   -3.1091180504  -2.0850044324  -1.7930145319
H   -2.0792874129  -0.9079415029   1.7620969500
H   -4.2390118194  -0.5811817369  -0.3789785294
H   -4.0269484830   0.4811089986   1.0015910515
H   -4.4205417098  -1.1965250084   1.2617636692
H   -1.4141306186   1.3747274552   1.8735873243
H   -2.5582435019   1.9438961529   0.6683178702
H   -1.5162038513   1.1658029995  -1.6392948544
H    0.1987440375  -0.1952656889   2.2025315091
H    0.1793967367  -0.5052241424  -2.0749384998
H    2.5242255737  -0.9083522607   2.2474350945
H    2.5154693507  -1.2188072228  -2.0283756206
H    0.5841579857   2.8955495042   2.0623746240
H    0.8373670377   4.0707500870  -1.9072825259
*