! 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   0.1747193221   0.5920775735   3.0348197455
Cl   4.1559065466   1.3969834341  -0.4375345114
N   -1.2944350114  -2.2077922419  -0.2880743862
N   -0.0249367490  -2.6146995314  -0.3355202355
N   -1.1169619610  -3.2565647500  -2.1802090328
C   -1.6540891249   0.1019970476   0.5931489545
C   -2.6268204465   0.6159094364  -0.4683989552
C   -1.7871445933  -1.4143737505   0.8140201952
C   -0.2105176990   0.4691070285   0.3426652273
C   -2.6767392796   2.1357594015  -0.5702099284
C    0.6934565829   0.6870695246   1.3806346112
C    0.3028367395   0.5421821483  -0.9502973765
C   -3.7072781121   2.6103016785  -1.5833264140
C    2.0315086409   0.9765028412   1.1596560380
C    1.6327552460   0.8229389234  -1.2087255602
C   -1.9340423348  -2.5970975924  -1.3950047609
C    2.4892565487   1.0409466181  -0.1437945878
C    0.0367424876  -3.2381909095  -1.4840741363
H   -1.9658655172   0.5477165378   1.5416430085
H   -2.4078855700   0.1913941133  -1.4526403712
H   -3.6238226096   0.2487496298  -0.2052026066
H   -2.8346852912  -1.6672684457   0.9761147538
H   -1.2395959298  -1.7229921761   1.7026315204
H   -2.9088539374   2.5544693526   0.4136368317
H   -1.6943526877   2.5297022938  -0.8425441100
H   -0.3507651462   0.3733098415  -1.7963821230
H   -3.7298760258   3.6988814619  -1.6484701178
H   -4.7121690476   2.2767257884  -1.3167421798
H   -3.4883330343   2.2271130349  -2.5821469902
H    2.7010783716   1.1461304414   1.9913282475
H    1.9911916573   0.8681127643  -2.2277836844
H   -2.9773170630  -2.3907015067  -1.5778267004
H    0.9465778458  -3.7016047939  -1.8326111737
*