! 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   0.0387697603   2.0929606039  -0.0484943227
Cl  -7.4760232029  -0.6691063690  -1.7968811247
O    3.5965897109  -0.6722244618   0.3200766470
O    2.6841732726   1.0276503295  -0.8325006082
O   -2.4884883232  -2.2025110349   0.8604936242
N    4.0651463292   1.9747721537   1.4050787531
N    5.2725756002   1.5165763802   1.7416558552
N    5.4427756432   3.5189117406   0.7541271523
C    2.5959540000   0.2998947443   0.3621630562
C    4.0928058471  -0.7897663386  -1.0101692212
C    2.8699994046   1.1948333393   1.5827914128
C    3.8315014131   0.6060990808  -1.5523372562
C    1.2098276587  -0.3233319985   0.4841009951
C    3.4092401748  -1.8922585466  -1.7936146797
C    0.0284937124   0.3953432163   0.3110644482
C    1.0803434748  -1.6726000057   0.8014786607
C   -1.2212476161  -0.1941897150   0.4258272828
C   -0.1511996099  -2.2926825980   0.9017739989
C   -1.3058377589  -1.5504031458   0.7058422007
C    4.1819461124   3.1654148922   0.8115135730
C    6.0655717605   2.4743597758   1.3356862239
C   -3.6192465358  -1.7920182223   0.2104713298
C   -4.8022038660  -1.8073277901   0.9332127752
C   -3.6188954784  -1.4413388561  -1.1332556085
C   -5.9950652091  -1.4700382456   0.3137390785
C   -4.8091064904  -1.0887071629  -1.7489895913
C   -5.9892993197  -1.1049539774  -1.0224064229
H    5.1617069360  -0.9966237063  -0.9351509022
H    2.9793371395   0.5796075998   2.4748933707
H    2.0423655993   1.8789517030   1.7582987654
H    4.6790563741   1.2766825948  -1.3767020576
H    3.6024879518   0.6186553646  -2.6188559723
H    3.4891408580  -2.8496359602  -1.2776480753
H    3.8941040801  -2.0031566103  -2.7647886044
H    2.3530467138  -1.6842919941  -1.9719734177
H    1.9681130139  -2.2667092593   0.9637294645
H   -2.1099158230   0.4095285608   0.2990246573
H   -0.2151087977  -3.3474679724   1.1347662818
H    3.3356008930   3.7299694182   0.4545876613
H    7.1347962101   2.4237049832   1.4702622011
H   -4.7958576271  -2.0890591729   1.9779466241
H   -2.7051352497  -1.4432665977  -1.7132207967
H   -6.9168624623  -1.4867052212   0.8785729377
H   -4.8082704699  -0.8123117728  -2.7942932856
*