! 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   2.3440399737  -0.4237631245   1.5604622577
Cl   2.7280380146   4.6255274855  -0.0917240686
O   -1.6331615875  -0.3666000399  -0.5751610132
O   -0.4998870671  -1.1215794411   1.1933807129
N   -0.3459637503  -2.8611920349  -1.0146307655
N    0.0140770329  -3.8712506070  -0.2200631345
N   -1.8139856927  -4.4118710409  -1.3945559882
C   -0.3415895141  -0.5900853170  -0.0812680756
C   -2.5715008644  -0.4005789918   0.5036020839
C   -1.6669317640  -0.5245232616   1.7230573156
C    0.3520162123  -1.6040314371  -0.9952876815
C    0.4536965667   0.7170567190  -0.0611220768
C   -3.4654854308   0.8206120976   0.5079148585
C   -4.3351136407   0.9399051118  -0.7338084782
C    1.6455314827   0.8714789478   0.6463446134
C    0.0077613959   1.8100839510  -0.7980976396
C    2.3480695635   2.0675606337   0.6446068144
C    0.6910537259   3.0140679532  -0.8223649504
C   -1.4416853328  -3.1934084283  -1.7030879555
C    1.8583440068   3.1326853760  -0.0900608386
C   -0.8895362093  -4.7783321380  -0.4838975458
H   -3.1841258050  -1.3028499505   0.3896890214
H   -1.4467278244   0.4553602322   2.1664439893
H   -2.0733599264  -1.1713783662   2.4991163576
H    1.3741651198  -1.7924455788  -0.6747309641
H    0.3921618789  -1.1984519231  -2.0060959161
H   -4.1034201566   0.7534845954   1.3944052973
H   -2.8568862903   1.7207687946   0.6341865842
H   -3.7374474507   1.0461919245  -1.6400168285
H   -4.9736202149   0.0631702900  -0.8587015320
H   -4.9862735812   1.8121199920  -0.6687719295
H   -0.9027028485   1.7271123918  -1.3739994947
H    3.2651377760   2.1613211038   1.2095623109
H    0.3109490274   3.8418846763  -1.4044764094
H   -1.9158498305  -2.5341015909  -2.4125018730
H   -0.8795067109  -5.7461160968  -0.0065786559
*