! 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   1.7804217738   2.0404673446   1.7257058224
Cl   4.3574023373  -0.6794889911  -2.0610613352
O   -1.6728902394  -0.6851849747   0.7465152820
O   -0.6086607140   0.4204700584   2.3674318305
N   -1.4609248367   1.7203510134  -0.9401198083
N   -0.5107195092   2.3443927306  -1.6394806387
N   -1.9696314588   1.3494066001  -3.0153776738
C   -0.7699932914   0.3465386479   0.9798447122
C   -1.4571235084  -1.6671507894   1.7563607837
C   -1.0146446594  -0.8120295426   2.9431177523
C   -2.7217713825  -2.4613697758   1.9894201845
C   -1.4078325524   1.6548885123   0.4975025286
C    0.5556239392   0.0788974783   0.2667323562
C   -3.1588135233  -3.2959681306   0.7920170181
C    1.7220044907   0.7948030564   0.5247064801
C    0.6070173878  -0.8706436517  -0.7490686852
C   -4.4182889720  -4.0979876449   1.0804477226
C    2.8936313437   0.5663313818  -0.1805874698
C    1.7614011754  -1.1210354762  -1.4707354202
C   -2.3211428540   1.1267633933  -1.7722479875
C    2.9007693598  -0.3950963407  -1.1753173281
C   -0.8572546086   2.0982489142  -2.8758769183
H   -0.6463023001  -2.3417470812   1.4503320062
H   -1.8342632865  -0.6261175167   3.6436847135
H   -0.1884704517  -1.2691412527   3.4912485221
H   -3.5238223497  -1.7786924463   2.2896418602
H   -2.5415250700  -3.1200113860   2.8451810627
H   -0.8413678227   2.5137546517   0.8492135258
H   -2.4182408276   1.7283666589   0.9008773203
H   -2.3490846336  -3.9749225504   0.5079661923
H   -3.3314691520  -2.6468980894  -0.0702983101
H   -0.2811188732  -1.4355844135  -0.9957811106
H   -4.2753329025  -4.7773651705   1.9232888456
H   -5.2589855277  -3.4454472247   1.3242298753
H   -4.7119230034  -4.7008975447   0.2199270249
H    3.7843494934   1.1368414420   0.0425539026
H    1.7625796694  -1.8678422091  -2.2524729347
H   -3.1748335280   0.5618139993  -1.4326446271
H   -0.2889890994   2.4762459691  -3.7114711368
*