! 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   0.5793336773   0.3240783706   2.4718234455
Cl  -7.0355128565   2.2565280713   0.5404640888
O    3.9007339157   0.0902869600  -0.5798749554
O    3.2202166368   1.0609443056   1.3113328280
O   -2.2680566031  -0.3340131843  -1.6606739423
N    3.1177468088  -2.4954145219   0.5038942713
N    4.0149118835  -2.9340929535  -0.3813124143
N    2.1837315576  -4.2231939562  -0.4174102739
C    2.9991065435  -0.0356786266   0.4809625899
C    4.3848584509   1.4351097372  -0.6380947613
C    3.3355072427  -1.3027971823   1.2786075784
C    3.5667317714   2.1287747238   0.4482578713
C    1.5661877651  -0.0727869810  -0.0511469043
C    5.8775684633   1.4556869797  -0.3928456003
C    0.4428531038   0.0730359575   0.7601129509
C    1.3324264025  -0.3138769654  -1.4031549411
C   -0.8484635856   0.0039212297   0.2589422579
C    0.0577939069  -0.3800187304  -1.9336626017
C   -1.0363868507  -0.2163993103  -1.0976701334
C    2.0288577716  -3.2689150625   0.4663384437
C    3.4140851304  -3.9696228860  -0.9067257527
C   -3.3494611792   0.2908102687  -1.0986311177
C   -3.3433759828   1.6551445129  -0.8401203275
C   -4.4818083800  -0.4695370831  -0.8553015593
C   -4.4799145156   2.2599699752  -0.3292277603
C   -5.6242388825   0.1369716037  -0.3553740610
C   -5.6129392960   1.4966234279  -0.0909059859
H    4.1609444526   1.8488124512  -1.6248122703
H    2.7198223259  -1.3621270150   2.1744501305
H    4.3787684615  -1.2717975832   1.5913199386
H    4.1306170758   2.8687238361   1.0156479210
H    2.6730880242   2.6129447336   0.0389783185
H    6.4017280560   0.8192990063  -1.1066743508
H    6.2630423862   2.4689749523  -0.5107457709
H    6.1237950020   1.1151551955   0.6143544198
H    2.1734179742  -0.4482746397  -2.0684331320
H   -1.6890399148   0.1136578291   0.9312273010
H   -0.0870089998  -0.5613420151  -2.9905820985
H    1.1691698700  -3.1064871795   1.0981495724
H    3.8838292768  -4.5731019956  -1.6679592987
H   -2.4650732313   2.2556850495  -1.0401509886
H   -4.4786832343  -1.5317787434  -1.0622541688
H   -4.4779116982   3.3226196646  -0.1289518744
H   -6.5099975777  -0.4550219354  -0.1699964801
*