! 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   0.3912267856  -0.1948992678  -3.1515306509
Cl   3.7784629857  -2.4664694128   0.3115618585
O   -1.1619529551   2.0445804603   0.3173816299
N   -2.3979485403  -0.6106715940   0.3813540768
N   -2.8008627617  -1.2265194972   2.4585686992
C   -0.9756586470   1.1054613516  -0.7042236088
C   -2.2357141839   0.2415744144  -0.7719654020
C    0.2494486221   0.2462313005  -0.4746929624
C    0.9147775795  -0.4014709426  -1.5094285017
C    0.7108960904   0.0173874103   0.8187040612
C   -1.9954093215  -1.9137320553   0.4860077998
C   -2.8662612380  -0.2462657675   1.5964101416
C   -0.2528901696   3.1304654971   0.2798164720
C    1.9993028171  -1.2363646990  -1.2867201838
C    1.7908270754  -0.8078967638   1.0762570662
C    2.4272886225  -1.4294458539   0.0147757796
C   -2.2578202831  -2.2766575706   1.7737707487
C   -0.5410618955   4.0268751998   1.4357906222
C   -0.6982479891   5.3399287249   1.3308039157
H   -0.8940414184   1.6133845742  -1.6746909029
H   -3.1094032680   0.8867393298  -0.8720058813
H   -2.1998674447  -0.3864672875  -1.6609152071
H    0.2153711033   0.4959021633   1.6531450474
H   -1.5759851676  -2.4558253377  -0.3454601088
H   -3.2495531563   0.7435716229   1.7895867921
H    0.7833076163   2.7720827496   0.3472292703
H   -0.3416361735   3.6769383782  -0.6680129823
H    2.4962388072  -1.7242976225  -2.1135826462
H    2.1237927242  -0.9650461055   2.0928245622
H   -2.0861817130  -3.2354958625   2.2384064030
H   -0.5775074821   3.5538930389   2.4134956132
H   -0.8638924772   5.9596013007   2.2027308416
H   -0.6664174606   5.8481412577   0.3732837981
*