! 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   0.6777010612   2.1495600470   1.1738000895
Cl   4.9998810270   0.0393224702  -1.0843785758
O   -1.2035959798  -1.8541659443   0.3049338704
O   -1.3378365685   0.0939305457   1.3753869594
N   -1.4082530073   1.4188523887  -1.3141010819
N   -2.0761709851   2.4194853358  -0.7365693801
N   -0.5532335944   3.2188452331  -2.1699057706
C   -0.8900919739  -0.4905515184   0.2026114000
C   -1.4247849731  -2.1852831098   1.6787278132
C   -1.1138123527  -0.8681722124   2.3896235324
C   -2.8503896469  -2.6653636750   1.8817046367
C   -1.6821455183   0.0434167600  -0.9980833449
C    0.6155655981  -0.3214498544  -0.0251909268
C   -3.2248018248  -3.8733693569   1.0326822901
C    1.3596144875   0.8020791020   0.3326132972
C    1.2833286443  -1.3265460835  -0.7240070422
C   -4.6603647380  -4.3191666574   1.2666001305
C    2.7085327763   0.9123006524   0.0178081290
C    2.6221949449  -1.2371581234  -1.0582101635
C   -0.5017946245   1.9106017013  -2.1651696572
C    3.3269225445  -0.1078750558  -0.6792027898
C   -1.5312994101   3.4772432986  -1.2781508146
H   -0.7182848067  -2.9686651285   1.9697732453
H   -1.7797894891  -0.6562860102   3.2257326829
H   -0.0803613889  -0.8335375067   2.7526594173
H   -3.5436964608  -1.8398742021   1.6848617870
H   -2.9641168084  -2.9176605511   2.9409179815
H   -2.7490831986  -0.0600205420  -0.8028209631
H   -1.4404169748  -0.5610706228  -1.8716962797
H   -2.5432871687  -4.7005874287   1.2548754371
H   -3.0888494225  -3.6384842599  -0.0256695387
H    0.7408729143  -2.2126573194  -1.0232848443
H   -5.3684429614  -3.5299457100   1.0052629635
H   -4.9092968402  -5.1936382370   0.6635907856
H   -4.8341169994  -4.5819623585   2.3121562249
H    3.2619112287   1.7934652013   0.3117832399
H    3.1021299491  -2.0367133245  -1.6050934115
H    0.1502324072   1.2857389723  -2.7563436718
H   -1.8539717396   4.4760312924  -1.0279824852
*