! 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  -0.5881420278  -2.1780638065  -2.1215392670
Cl  -4.4505625785  -1.5457920442   1.5343115265
O    3.3365770078  -0.5822150503   0.1321882662
N    2.0873202590  -0.9686618564   0.4988630736
N    2.6419278411   3.7470704219  -0.1136933236
C    1.3759337259   0.4415783051  -1.4082702091
C    1.1723575257  -0.5069817588  -0.2526500390
C   -0.2090481650  -0.8121796383   0.1835603965
C    1.3856327041   1.8524594700  -0.8795846088
C   -1.1095487414  -1.5183056880  -0.6096777705
C   -0.6559283418  -0.3596619927   1.4223092128
C    0.2018612960   2.5250483050  -0.5964610508
C    2.5773157300   2.5217164588  -0.6173043642
C   -2.4144039530  -1.7512808082  -0.2085896439
C   -1.9530674469  -0.5806711248   1.8525813467
C   -2.8230998375  -1.2700021294   1.0246307364
C    0.2582020628   3.8029003902  -0.0654055267
C    1.5025192630   4.3692244475   0.1618557506
C    4.2971462833  -1.1607787574   0.9958389071
H    2.3035492256   0.2213533306  -1.9363963327
H    0.5649802857   0.3302448001  -2.1274274351
H    0.0248740955   0.1891603379   2.0592252780
H   -0.7565446260   2.0609860051  -0.7965779241
H    3.5252508981   2.0411846361  -0.8344307159
H   -3.0932548207  -2.3065847342  -0.8406800894
H   -2.2766833414  -0.2128201023   2.8161938984
H   -0.6439208116   4.3532312246   0.1645771432
H    1.5818077939   5.3675692113   0.5773274213
H    4.1589054383  -0.8366651873   2.0298166714
H    5.2677809739  -0.8152020017   0.6446479943
H    4.2738534696  -2.2521183195   0.9555982028
*