! 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  -0.1449853678  -0.4589814227  -2.1512777406
Cl   4.0584954901  -2.2254180601   0.6316179299
O   -0.5636392927   2.5722758790   0.9449164449
N   -2.3284729407  -0.5910587146   0.5734949560
N   -2.3582003989  -2.7650193551   0.2180538774
C   -0.7985282888   1.3343727719   0.3210570921
C   -1.9404926498   0.6875155783   1.1137831931
C    0.4338976492   0.4562436058   0.3446168507
C    0.7938459587  -0.3907070542  -0.6979269153
C    1.2344567711   0.4416831751   1.4846486351
C   -3.2183692576  -0.8063969626  -0.4425344233
C   -1.8366200570  -1.8003936185   0.9268581406
C    0.2246963103   3.4668685031   0.1931853768
C    1.9061797793  -1.2173065257  -0.6244067644
C    2.3467753794  -0.3730655916   1.5906945827
C    2.6725935502  -1.1986925401   0.5263894255
C   -3.2242099765  -2.1544725133  -0.6439664832
C   -0.5223336302   4.1966419388  -0.8781411047
C   -1.8373030920   4.2080890823  -1.0514340979
H   -1.1300814653   1.4812825230  -0.7133112538
H   -1.6416982136   0.5522339545   2.1544269568
H   -2.8078233490   1.3481854486   1.1087287807
H    0.9840201707   1.0879657111   2.3162600415
H   -3.7580529755  -0.0028002627  -0.9160607997
H   -1.1107245313  -1.9149555571   1.7181055952
H    0.6364967014   4.1932059247   0.9007117224
H    1.0936649999   2.9621285346  -0.2495395892
H    2.1649990244  -1.8629129799  -1.4522180297
H    2.9472967710  -0.3634338366   2.4896780896
H   -3.8074801300  -2.7147359184  -1.3584654037
H    0.1117749448   4.7725316486  -1.5460532765
H   -2.2857390510   4.7777059332  -1.8549921613
H   -2.5199882072   3.6628649210  -0.4108640757
*