! 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  -4.6611152490  -0.3388138018  -0.0297136227
O    1.8565858598  -1.3369822058  -1.1175338450
N    2.8830544561  -0.4198940786  -0.7825170907
N    0.3057735295   2.7162434166  -1.2416079154
C    2.4591979343   0.1337502846   0.5079165864
C    1.8964983536  -1.1073181834   1.2115236468
C    1.1849308476  -1.8049720652   0.0557014144
C    1.3657708955   1.1656962699   0.2551855408
C    3.6008245239   0.7951628459   1.2683359887
C   -0.2898501762  -1.4726606233  -0.0213985263
C    4.1462714216  -1.1335827787  -0.7861513347
C    0.4409676932   1.4986867817   1.2379113901
C    1.2538550725   1.8291342316  -0.9618460879
C   -0.8499842775  -0.8146216636  -1.1095137076
C   -1.1162466304  -1.8107919789   1.0462858424
C   -0.5571886195   2.4142702890   0.9567535356
C   -2.1922099654  -0.4655603861  -1.1188925951
C   -2.4595378728  -1.4713611171   1.0528217495
C   -0.5904089824   2.9883814349  -0.3033034708
C   -2.9856126648  -0.7892959939  -0.0324983684
H    2.7139891349  -1.7199072339   1.5960757972
H    1.2412948974  -0.8933765574   2.0525582369
H    1.3040595227  -2.8920080850   0.1214189446
H    4.3720122520   0.0833197869   1.5629168517
H    3.2150986518   1.2516457152   2.1799524972
H    4.0636820885   1.5870103872   0.6777050371
H    4.9586055184  -0.4210811922  -0.6485958283
H    4.2835235643  -1.5840713924  -1.7684188134
H    4.2432964255  -1.9239968890  -0.0315421622
H    0.4766519168   1.0404103308   2.2184115015
H    1.9613622992   1.6211325960  -1.7550795708
H   -0.2412172268  -0.5465293245  -1.9608051919
H   -0.7117672833  -2.3375024441   1.9031006116
H   -1.3008151154   2.6737466798   1.6979399141
H   -2.6070921125   0.0605479585  -1.9681707781
H   -3.0832264457  -1.7319189885   1.8973411885
H   -1.3660932340   3.7011682166  -0.5612523708
*