! 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   0.5721013225  -1.7638419227  -2.1517048493
Cl   5.2504213364  -0.8165981865   0.2701356090
O   -1.0493016244   1.4072569768   0.4372212359
N   -2.8567497969  -0.7612255856   0.5777917231
N   -4.8964485259  -0.0475958275   1.0043992520
C   -0.6883808777   0.1730877025  -0.1082071585
C   -1.4256997391  -0.9034017611   0.6860734529
C    0.8032769398  -0.0774648710  -0.0359539146
C    1.4600453959  -0.9367042492  -0.9104162314
C    1.5690840280   0.5343398117   0.9517781000
C   -3.6333582735  -1.1561173995  -0.4768160551
C   -3.6619592854  -0.0920471207   1.4298853080
C   -0.7729514947   2.5163352256  -0.3807994018
C    2.8231046544  -1.1756487067  -0.8307586234
C    2.9320346772   0.3175611156   1.0593558474
C    3.5479526798  -0.5368335131   0.1600775194
C   -4.8901162530  -0.7093398492  -0.1905816646
C   -1.3778527609   3.7526443174   0.1886096941
C   -2.1927517843   3.8220809098   1.2327845030
H   -1.0118374271   0.1172257034  -1.1576303264
H   -1.1384079011  -1.8936283747   0.3328840114
H   -1.1478966305  -0.8443105161   1.7393105782
H    1.0939110631   1.2053060858   1.6554232142
H   -3.2386869194  -1.7177580277  -1.3076620214
H   -3.2901428557   0.3302063364   2.3506882188
H    0.3088136652   2.6703763007  -0.5007054729
H   -1.1677139709   2.3580399403  -1.3957422969
H    3.3056733842  -1.8451948172  -1.5290431945
H    3.5002552094   0.8113107396   1.8351509582
H   -5.7856810630  -0.8370992720  -0.7787937285
H   -1.1036544363   4.6614762281  -0.3379205418
H   -2.5839509842   4.7762929176   1.5608742493
H   -2.5096354308   2.9532225452   1.7941471251
*