! 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   2.5374584261  -0.7388957017  -1.4719020393
Cl   0.2806535375  -5.4020580463  -0.2357725660
O   -1.1199300408   1.0539239535   0.4691771630
O    0.3921032760   1.2526322845  -1.1582455012
N    1.1954050488   2.5633384673   1.1847281026
N    2.1107040557   3.2775617562   0.5269291335
N    0.6670201242   4.6299505629   1.5757834342
C    0.1555573152   0.6402166012   0.0666488748
C   -1.8339968405   1.5751606444  -0.6546888173
C   -0.8622572401   1.3280036521  -1.8043176397
C   -3.1859050379   0.9216846620  -0.8583901333
C    1.1686532283   1.1276651653   1.1052037625
C    0.2124981264  -0.8855009030  -0.0321102817
C   -4.2585583914   1.2830277671   0.1650464328
C    1.2286611971  -1.5685364228  -0.6994459571
C   -0.7641372999  -1.6548366220   0.5934471167
C   -4.0440648681   0.7215267014   1.5636375900
C    1.2553356364  -2.9538574603  -0.7689450392
C   -0.7596419627  -3.0383034212   0.5452917183
C    0.3382625818   3.3812387881   1.8021562209
C    0.2533153171  -3.6770547960  -0.1471117581
C    1.7577347690   4.5079540590   0.7927299748
H   -1.9698224108   2.6515831954  -0.4962042319
H   -1.0931240044   0.3962836896  -2.3375464161
H   -0.8384892622   2.1410487438  -2.5287374802
H   -3.0634442859  -0.1650237806  -0.9174919264
H   -3.5349241987   1.2402437390  -1.8465114876
H    2.1744854105   0.7887768802   0.8667999372
H    0.9045327080   0.7154184708   2.0790476983
H   -5.2177682687   0.9201957046  -0.2134030512
H   -4.3525271139   2.3722826824   0.2168552651
H   -1.5572283802  -1.1634379627   1.1386229098
H   -3.9250112902  -0.3641718073   1.5409569631
H   -3.1654315595   1.1417546289   2.0523522827
H   -4.9039022534   0.9382965254   2.2003229700
H    2.0504613846  -3.4571785460  -1.3013279959
H   -1.5379249505  -3.6019605677   1.0405630528
H   -0.4861357654   3.0293895255   2.4017241925
H    2.3096374663   5.3528675881   0.4104351448
*