! 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  -5.0259774628   1.2394221847  -2.4194555131
O    1.8998112657   1.4977082082  -0.5927495970
O    2.0813678189  -1.3053146002   2.4441330680
N    1.9290680914  -0.5800390863   0.2976166468
N    1.8587379201  -2.8662612400   0.8118971153
N    0.9279994212  -4.7633059675   0.1993456847
C    1.8526856106   0.8659664392   0.6646107139
C    2.1243588716  -0.7332289016  -1.1677749540
C    2.6318869977   0.6768642279  -1.4642802873
C    0.4984181040   1.1810270473   1.2946041730
C    3.0387654266   1.3235293162   1.5091531628
C    3.1790332779  -1.7520592562  -1.5734171235
C    0.8106055201  -0.9738641081  -1.9060201986
C    0.2320350429   2.6666059773   1.5075950605
C    1.9703845760  -1.5120259469   1.2540478729
C   -1.2171474292   2.9350551324   1.9295776463
C   -2.2075626431   2.5313361352   0.8727808820
C    2.7939587080  -3.8457708324   1.0360826333
C    0.7474144039  -3.4807828211   0.3255083577
C   -2.3413908623   3.2825469476  -0.2933810695
C   -2.9736444433   1.3763700264   0.9979207239
C    2.2059113461  -5.0021595730   0.6265784623
C   -3.2039577477   2.8964379245  -1.3069561272
C   -3.8429925831   0.9711071016  -0.0054131624
C   -3.9479968692   1.7364967137  -1.1540505461
H    3.7130503078   0.7512133065  -1.2872946407
H    2.4354719890   0.9841482696  -2.4913768628
H    0.4163763964   0.6618823359   2.2513382327
H   -0.2703293984   0.7603430525   0.6409509915
H    2.9621330636   0.9972364453   2.5424165825
H    3.0806133778   2.4131168966   1.5050932738
H    3.9852420567   0.9565103767   1.1086693690
H    4.0684577140  -1.6924069038  -0.9449874859
H    3.4895377480  -1.5353587590  -2.5975119994
H    2.8150277166  -2.7775689460  -1.5685774820
H    0.0533206523  -0.2345949123  -1.6439571769
H    0.9778386186  -0.9107289590  -2.9822036099
H    0.4028643891  -1.9627474484  -1.7086250910
H    0.8935305872   3.0628630310   2.2818388550
H    0.4448696028   3.2299039668   0.5957105673
H   -1.3252281275   4.0003506253   2.1473117245
H   -1.4321858214   2.4048739037   2.8609149942
H    3.7732584019  -3.6306413240   1.4294753017
H   -0.1673171616  -2.9448051711   0.1281073911
H   -1.7614653720   4.1893552291  -0.4200083730
H   -2.8922867851   0.7716663846   1.8933085063
H    2.6338938280  -5.9923419245   0.6185046024
H   -3.2931647890   3.4945516164  -2.2039908671
H   -4.4263758554   0.0676945122   0.1121490641
*