! 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  -0.1090010682  -0.8726339631   2.3643970864
Cl   0.1498146479  -5.2328220837  -0.6840823092
O   -0.6264678938   1.3308379978   0.4251393026
O    0.4502236986   1.3307730720  -1.5426162424
N    1.8647579779   2.6612274027   0.5081225306
N    2.5081002146   3.3546377470  -0.4343833456
N    1.5762694006   4.7399443245   1.0578124455
C    0.4670123556   0.7930496674  -0.2507232328
C   -1.5777246872   1.7836793553  -0.5341014203
C   -0.6710521067   2.1874668115  -1.6880469231
C   -2.6010406584   0.7210620687  -0.9057214345
C    1.7601116834   1.2276272566   0.4542208334
C    0.3985743888  -0.7317301664  -0.3252877427
C   -3.3790228753   0.1646794936   0.2792272523
C    0.1355377463  -1.5370614919   0.7816351797
C    0.6087616704  -1.3750548840  -1.5416024844
C   -4.3275287922  -0.9514529741  -0.1307921857
C    0.0563726139  -2.9181796827   0.6812574587
C    0.5392342470  -2.7514765854  -1.6705195456
C    1.3073015666   3.4999803330   1.3862644208
C    0.2554958197  -3.5133573139  -0.5514463380
C    2.3130894998   4.5931834690  -0.0623475707
H   -2.0822359701   2.6477302332  -0.0956153990
H   -1.1244746870   2.0227578278  -2.6669718937
H   -0.3627110636   3.2354364610  -1.6235473506
H   -2.1184180326  -0.0978856292  -1.4499743678
H   -3.2974933550   1.1820445192  -1.6137436015
H    2.6227970039   0.8422994690  -0.0867475626
H    1.8043397083   0.8331267064   1.4676918881
H   -3.9437801256   0.9717385118   0.7563996683
H   -2.6863601809  -0.2125998310   1.0342970262
H    0.8240707942  -0.7887524767  -2.4231490197
H   -4.8954350524  -1.3256952728   0.7222302578
H   -5.0462495298  -0.6153965638  -0.8812332776
H   -3.7810641614  -1.7964808985  -0.5552981505
H   -0.1580782378  -3.5166146803   1.5558107100
H    0.7011308517  -3.2149797157  -2.6337278803
H    0.7345099594   3.1680491069   2.2376602944
H    2.7220836209   5.4242741314  -0.6159576623
*