! 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  -5.9866902240  -0.4557000525   0.2031609959
O    0.5866342651   0.7909783841   0.9285571831
N    1.2539705799   1.5546754413  -0.0480356203
N    4.8027657863   0.1406052164   1.4254488901
C    1.8437415113   0.5329675350  -0.9168596283
C    0.7037386211  -0.4921328278  -1.0376542371
C    0.0386486485  -0.3915360185   0.3366199110
C    3.0606566860  -0.0589645248  -0.2164387089
C    2.2821171893   1.0902953606  -2.2656208935
C   -1.4704861181  -0.3725793839   0.3036944167
C    0.3176432564   2.4637091568  -0.6855334807
C    3.6226520481  -1.2545344448  -0.6499590227
C    3.7070297080   0.5957585091   0.8279945624
C   -2.1519686350  -1.3547521076  -0.4120663570
C   -2.2140040016   0.5726119613   1.0010170282
C    4.7654532959  -1.7384690328  -0.0355573646
C   -3.5365408769  -1.3894111087  -0.4492578120
C   -3.6019640758   0.5531840766   0.9725230343
C    5.3181762114  -1.0050323815   1.0014175969
C   -4.2533925276  -0.4274458377   0.2450463806
H    0.0206089905  -0.1977375538  -1.8371425066
H    1.0415052054  -1.5015160359  -1.2633921567
H    0.3558820466  -1.2260560929   0.9714868218
H    3.0148754454   1.8896317578  -2.1467986138
H    1.4421410521   1.4706234905  -2.8468399841
H    2.7500614303   0.3018048447  -2.8548342544
H    0.8731614683   3.1491424601  -1.3238319351
H   -0.1591344648   3.0656528779   0.0863821214
H   -0.4674838967   1.9910681605  -1.2875031658
H    3.1815906682  -1.8138924596  -1.4663145939
H    3.3198216604   1.5365606463   1.1981011988
H   -1.6031067074  -2.1137472443  -0.9567658843
H   -1.7230835682   1.3431330110   1.5792077758
H    5.2211184919  -2.6657941063  -0.3546551863
H   -4.0451154951  -2.1583178210  -1.0150671533
H   -4.1625569425   1.2999835109   1.5184745773
H    6.2154248964  -1.3521480592   1.5018163914
*