! 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   1.2039430369  -0.0356408087  -2.4415809414
Cl   5.7233753775  -0.4463608292   0.3488248170
O   -0.9567058193  -0.5421547360  -0.4970535724
O   -0.7572474980   0.2001809454   1.6118273467
N   -1.9721522420   2.0356910685  -0.2598643512
N   -2.6870010371   2.4664381520   0.7831173458
N   -4.0235299173   2.0473130810  -0.9659792903
C   -0.2702382092   0.3585221432   0.3095855154
C   -1.6069935745  -1.5152564753   0.3168667703
C   -1.8104992961  -0.7470657554   1.6144198787
C   -2.8586277266  -1.9828074385  -0.4012789042
C   -0.5579849130   1.7910593182  -0.1692048295
C    1.2361527899   0.1150085692   0.2942720149
C   -3.5886863548  -3.1452022492   0.2673778921
C    1.9636786810  -0.0525890726  -0.8837722219
C    1.9509968354   0.1059068759   1.4883882415
C   -4.2937843931  -2.8102313660   1.5746139522
C    3.3393560756  -0.2298941507  -0.8760768494
C    3.3243312867  -0.0668175661   1.5251547386
C   -2.7819258105   1.7808225172  -1.2913361824
C    4.0084909454  -0.2346513290   0.3347815722
C   -3.9082523860   2.4616478849   0.3125155681
H   -0.9342244044  -2.3682388012   0.4814998039
H   -2.7807471209  -0.2395205003   1.6486936339
H   -1.7144668644  -1.3729765048   2.5018454561
H   -2.5645016908  -2.2950420658  -1.4071826514
H   -3.5429362916  -1.1361897439  -0.5261154422
H   -0.1148781566   1.9735492732  -1.1467625948
H   -0.1225945878   2.5063830927   0.5272573751
H   -2.8926283438  -3.9748106643   0.4248892246
H   -4.3335548422  -3.5140957900  -0.4417147350
H    1.4288722014   0.2387823818   2.4249261091
H   -3.6000359089  -2.5857153269   2.3857255396
H   -4.9604086960  -1.9529670610   1.4601442124
H   -4.9029288795  -3.6514072771   1.9090976291
H    3.8769268985  -0.3598918585  -1.8050393820
H    3.8453554090  -0.0672470878   2.4723229898
H   -2.4261805246   1.4172695650  -2.2426985897
H   -4.7491741202   2.7744440427   0.9122144043
*