! 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   0.5888838369   1.9869320975   1.2242774723
Cl   5.0059247499  -0.1980261476  -0.7633169054
O   -1.4237233235  -1.7310352073  -0.3296785731
O   -1.5409694417   0.0497179789   0.9807479569
N   -1.3639133370   1.7481487211  -1.4262261716
N   -0.2830019059   2.1961346964  -2.0681271053
N   -1.3729421486   3.8897523522  -1.0913334400
C   -1.0203690326  -0.3966807524  -0.2259379316
C   -1.5045825524  -2.2764833315   0.9886359272
C   -1.3987374675  -1.0300782061   1.8855736648
C   -2.7995889573  -3.0535900917   1.1288023439
C   -1.6909483877   0.3491743727  -1.3833605818
C    0.5074557259  -0.3035983221  -0.2894498116
C   -2.8731038987  -3.8351334749   2.4350575739
C    1.2766512056   0.7003100334   0.2957507211
C    1.1856709529  -1.2666167194  -1.0338862215
C   -4.1650545117  -4.6274889868   2.5621745282
C    2.6581494861   0.7329156905   0.1587537215
C    2.5592982607  -1.2528736044  -1.1940863413
C   -2.0018097980   2.7680407724  -0.8453590379
C    3.2873732188  -0.2452298739  -0.5873805877
C   -0.3268163954   3.4824506269  -1.8369899444
H   -0.6520655872  -2.9434623151   1.1590964577
H   -2.1940424720  -0.9597976916   2.6285537232
H   -0.4378567800  -0.9867805962   2.4081932556
H   -2.8841750522  -3.7507505244   0.2896599179
H   -3.6471168324  -2.3636099507   1.0548638991
H   -2.7718939362   0.2479562502  -1.2836970911
H   -1.3958111726  -0.0992683953  -2.3307890162
H   -2.7826611448  -3.1547471360   3.2875043986
H   -2.0194452572  -4.5165116223   2.4989480960
H    0.6252411514  -2.0594779979  -1.5093277916
H   -4.2671683548  -5.3534491777   1.7532083507
H   -4.2029555983  -5.1778152743   3.5031493700
H   -5.0387675253  -3.9737408346   2.5293096959
H    3.2306785621   1.5211758419   0.6273985848
H    3.0467983106  -2.0180410759  -1.7812912524
H   -2.9064348921   2.6451342317  -0.2716577160
H    0.4180575011   4.1554695860  -2.2310998846
*