! 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  -5.6546813773   4.0252578628   1.1935844386
O    1.1270068419   1.1690458418   0.5238471832
O    1.2199903050  -2.8797064025   1.3494072306
N    1.8280819023  -0.9573532807   0.3032392467
N    2.6977557131  -3.0311851090  -0.3667735487
N    3.2648457038  -4.2295315535  -2.1236487546
C    0.8602171927  -0.1047840342   1.0531891766
C    2.8289918016  -0.1165702323  -0.4078095032
C    2.5013900714   1.2313746421   0.2441997749
C   -0.5986590004  -0.4621073371   0.7766752605
C    1.1376449481  -0.1111204363   2.5560329782
C    4.2768441743  -0.4873322306  -0.1166110977
C    2.5801889565  -0.0351287652  -1.9100541622
C   -1.0417596877  -0.5556091852  -0.6806280809
C    1.8551487949  -2.2776655723   0.5098405663
C   -1.3097519279   0.7645677971  -1.4149721781
C   -2.3871523134   1.5921926336  -0.7731753378
C    3.7286517290  -3.8448739760   0.0354788298
C    2.4478782236  -3.3242310804  -1.6716593634
C   -3.7311465477   1.3377187070  -1.0388204097
C   -2.0806170188   2.6145593651   0.1219211461
C    4.0779171729  -4.5538873281  -1.0713817715
C   -4.7409348124   2.0760568101  -0.4403356292
C   -3.0757170701   3.3648214800   0.7321070492
C   -4.4018061166   3.0881900725   0.4435977696
H    3.0951366428   1.3845585938   1.1541500366
H    2.6908919687   2.0708893864  -0.4241825752
H   -1.2110982774   0.2693340671   1.3121176801
H   -0.8054497751  -1.4142990495   1.2647850767
H    0.5162322537   0.6468062700   3.0352104887
H    2.1799007958   0.1163150316   2.7836322741
H    0.9012080948  -1.0695744453   3.0101032926
H    4.4399629513  -0.6896081326   0.9428661734
H    4.9151118588   0.3553323067  -0.3895665125
H    4.6243944733  -1.3434602041  -0.6917398741
H    1.5494334676   0.2345227372  -2.1402872793
H    3.2270123822   0.7299967068  -2.3420174241
H    2.8119944926  -0.9665059714  -2.4219255849
H   -0.3175372662  -1.1348591385  -1.2605718857
H   -1.9625655945  -1.1445607667  -0.7034507131
H   -1.6087221384   0.5198554478  -2.4372189168
H   -0.3963137364   1.3525628627  -1.4945057143
H    4.1241416550  -3.8238563870   1.0372078341
H    1.6367990458  -2.8694306197  -2.2188314756
H   -4.0029958123   0.5515331665  -1.7337045950
H   -1.0457042106   2.8337994686   0.3534235805
H    4.8715831185  -5.2783774703  -1.1659775254
H   -5.7774118151   1.8656395220  -0.6678623685
H   -2.8138530931   4.1563898695   1.4214245314
*