! 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   1.4019563339  -0.6346577971   2.3166024015
Cl   4.0444056495  -3.5481946209  -1.2754087533
O   -1.2106224381   0.5235258005  -1.1734466578
O   -1.1544176606   0.0494013304   0.9949742784
N   -0.7500047495   2.7856169951   0.5096798470
N   -1.0793533133   3.0420109604   1.7770770065
N   -2.3649871303   4.2263909461   0.3779077293
C   -0.3538062405   0.4301785784  -0.0731807862
C   -2.3557406543  -0.3026384560  -0.9522192611
C   -2.1130055417  -0.8441156852   0.4613008871
C    0.2535999180   1.8117394887   0.1777715415
C    0.7600567306  -0.5835659176  -0.3442000653
C   -3.6210583572   0.5225939192  -1.1039215036
C   -4.8721262842  -0.3424404610  -1.1022660527
C    1.5766982588  -1.1042064542   0.6591646954
C    1.0113859117  -1.0008981496  -1.6477653493
C    2.5846278302  -2.0158364023   0.3824494931
C    2.0122707243  -1.9075929902  -1.9534404896
C   -1.5284360552   3.4919763554  -0.3141788387
C    2.7902750740  -2.4122081069  -0.9271336185
C   -2.0467336033   3.9119015992   1.6499320111
H   -2.3571217271  -1.1164061554  -1.6852790477
H   -2.9978377033  -0.8192193271   1.0977458440
H   -1.7334207376  -1.8713127745   0.4442682069
H    0.7809460580   2.1323298262  -0.7204935109
H    0.9765526751   1.7834132254   0.9897119297
H   -3.5677630346   1.0785786283  -2.0435461825
H   -3.6747024077   1.2641431574  -0.3012182525
H   -4.8588430608  -1.0651694990  -1.9203245374
H   -4.9872116201  -0.9013400126  -0.1715092609
H   -5.7656703948   0.2704446034  -1.2213991711
H    0.4102952931  -0.6091365078  -2.4561922976
H    3.1985154740  -2.4078445065   1.1813780682
H    2.1760451245  -2.2110338734  -2.9780291869
H   -1.4423653588   3.4483408590  -1.3880981086
H   -2.5406385023   4.3426470444   2.5072513944
*