! 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   1.2502573042   0.2080567744  -2.3505169395
Cl   4.1131021469  -3.7270097716  -0.1801472282
O   -1.1925461315   0.3700201537  -0.7263236518
O   -1.1446316105   0.0039014334   1.4667016688
N   -0.7372601837   2.7181015854   0.8091751998
N   -1.1779257054   3.0447149489   2.0262064856
N   -2.3026204348   4.1766342188   0.4577068780
C   -0.3422211809   0.3285756467   0.3778746191
C   -2.3611082185  -0.4044822646  -0.4625913511
C   -2.1482323983  -0.8707736568   0.9818945141
C    0.2705722516   1.7124703097   0.6160950592
C    0.7781460627  -0.6971724278   0.1907317316
C   -3.6020545932   0.4455259881  -0.6727001223
C   -4.8781615469  -0.3815900729  -0.6236852306
C    1.5267762560  -0.8150233223  -0.9791411912
C    1.1152307632  -1.5374023079   1.2480834890
C    2.5513769799  -1.7418365956  -1.1017374280
C    2.1299043039  -2.4742753305   1.1526273234
C   -1.4208649969   3.3953629432  -0.1164910116
C    2.8396688112  -2.5690732803  -0.0307710340
C   -2.1115612513   3.9221828864   1.7677873396
H   -2.3829742827  -1.2605121800  -1.1454694375
H   -3.0308637170  -0.7605603320   1.6121248075
H   -1.8223117508  -1.9148753949   1.0277192692
H    0.8931810936   1.9948916258  -0.2314296192
H    0.9075481920   1.6905070823   1.4987453118
H   -3.5294642506   0.9396932380  -1.6447807289
H   -3.6373162319   1.2366844130   0.0820976534
H   -5.7536358409   0.2497091726  -0.7761085413
H   -4.8868320283  -1.1478537935  -1.4009839833
H   -5.0078619843  -0.8850318150   0.3363118774
H    0.5720460075  -1.4637301831   2.1800294129
H    3.1157209897  -1.8120208268  -2.0212683652
H    2.3581943064  -3.1147128946   1.9930488576
H   -1.2384939807   3.2954956762  -1.1743030499
H   -2.6726775361   4.4037499446   2.5535486289
*