! 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   0.5555114414   0.5161219699   2.4112734050
Cl  -7.1759512423   1.9636831781   0.7054341145
O    3.8663565432   0.1257097480  -0.6459086524
O    3.1706019071   1.2617311022   1.1714953247
O   -2.3093593663  -0.2256107122  -1.7012755458
N    3.0877675637  -2.3572511774   0.5202662515
N    1.9263204659  -3.0142621225   0.5390727002
N    3.3577657583  -3.9974597471  -0.8725051995
C    2.9532778756   0.1030190555   0.4171955480
C    4.6448617513   1.3208441748  -0.5863103024
C    3.2702253667  -1.1423088803   1.2698243702
C    4.4689119254   1.7356046662   0.8623532289
C    1.5263788527   0.0775513413  -0.1060336770
C    6.0684121668   1.0387252413  -0.9953623527
C    0.4073254711   0.2284865345   0.7078332002
C    1.2893175952  -0.1644265686  -1.4566196936
C   -0.8862221286   0.1487199520   0.2137324381
C    0.0129679331  -0.2420197955  -1.9801136772
C   -1.0791228529  -0.0881980858  -1.1391705030
C    3.9295048156  -2.9498651030  -0.3310555246
C    2.1339180028  -3.9889167516  -0.3071389745
C   -3.4150169092   0.3034586834  -1.0886039378
C   -3.5196601440   1.6678500328  -0.8554386464
C   -4.4565089155  -0.5518640722  -0.7681703511
C   -4.6790502837   2.1793464635  -0.2962444839
C   -5.6222175292  -0.0402363201  -0.2182979483
C   -5.7228451591   1.3213290675   0.0167916419
H    4.2056409223   2.0732452140  -1.2518961254
H    2.6337260935  -1.1926664957   2.1497061748
H    4.3050597503  -1.0926404704   1.6118583708
H    5.2290926756   1.2795710857   1.5094551708
H    4.4942880729   2.8149536729   1.0096952744
H    6.1273098040   0.7074128424  -2.0321389956
H    6.6644162643   1.9481408944  -0.9082001220
H    6.5210045047   0.2747455174  -0.3612680168
H    2.1268640901  -0.2935218057  -2.1267257177
H   -1.7234012920   0.2610925617   0.8896306820
H   -0.1358854565  -0.4271146687  -3.0358872839
H    4.9320706851  -2.5967700331  -0.5120605185
H    1.3769191786  -4.7271343169  -0.5219699857
H   -2.7092008859   2.3373452824  -1.1142531840
H   -4.3652215414  -1.6139320265  -0.9550227386
H   -4.7660805298   3.2420273554  -0.1161118950
H   -6.4389160199  -0.7050810273   0.0273191249
*