! 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   0.3986395944  -1.1279296272  -2.4472268200
Cl   4.8846481757   0.5107988874  -0.0844628512
O   -1.5868250276  -1.3592367597  -0.2568856325
O   -1.5737928758   0.0898401325   1.4216542545
N   -1.2053159610   2.2295334565  -0.7070465321
N   -1.3447852421   2.9966432212   0.3745799350
N    0.0523969835   3.9537421940  -1.0902352703
C   -1.1322558276  -0.0971601399   0.1127095368
C   -1.5978213733  -2.1881269239   0.9017102200
C   -1.5267382589  -1.1761517030   2.0592820068
C   -2.8467566640  -3.0473182450   0.8922167082
C   -1.8146310263   0.9307389268  -0.7991870048
C    0.3921372739   0.0151653397   0.0390653586
C   -2.8785961367  -4.0432687615   2.0452562715
C    1.1420889577  -0.4166977999  -1.0529173150
C    1.0829209636   0.6312989231   1.0788748744
C   -4.1566015455  -4.8670619472   2.0611908367
C    2.5208361472  -0.2718878120  -1.0990800964
C    2.4576835543   0.7903833542   1.0602943935
C   -0.3636639673   2.8074535556  -1.5675915142
C    3.1672519462   0.3288697911  -0.0336306052
C   -0.5776314489   4.0195727317   0.0988590253
H   -0.7082647654  -2.8289530989   0.9011247046
H   -2.3772455524  -1.2404143604   2.7401657985
H   -0.6110014767  -1.2957231210   2.6453498267
H   -2.8971829752  -3.5924642410  -0.0549439987
H   -3.7283467696  -2.3988883382   0.9335466220
H   -2.8700353996   1.0039067349  -0.5367481906
H   -1.7493582284   0.6057409069  -1.8356598687
H   -2.7813422646  -3.5176679864   3.0002191005
H   -2.0132748076  -4.7090004021   1.9771419944
H    0.5346696111   1.0059034645   1.9315656987
H   -4.1645422517  -5.5720692255   2.8931855677
H   -5.0374041360  -4.2302558992   2.1627665605
H   -4.2720992980  -5.4432051661   1.1413244748
H    3.0776045556  -0.6202539152  -1.9578952921
H    2.9600933686   1.2703701900   1.8884268465
H   -0.0978318809   2.3660322511  -2.5155806511
H   -0.4689888371   4.8489790738   0.7802234538
*