! 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   4.2637500004   4.0388398603   0.2082430840
O   -1.3288542651  -0.4990615637   1.4994305111
N   -1.5182987624  -2.9866836410  -0.0974713614
N   -0.8028460099  -3.3262462122   0.9794592840
N   -0.1738174513  -4.5466444704  -0.7827925503
C   -1.9041578994  -0.5452881562   0.2110375551
C   -3.0451010527   0.5269455041   0.2045923633
C   -0.8623882928  -0.2464174121  -0.9006119294
C   -2.5161218646  -1.9439182591  -0.0211390360
C   -4.1896778709   0.1261092037   1.1447695408
C   -2.5018557678   1.8747392275   0.6948534409
C   -3.6260147536   0.7181347050  -1.2003515496
C    0.5995102007  -0.6750833367  -0.6432276340
C    1.5250827399   0.4907839028  -0.4124877732
C   -1.1304062239  -3.7201263710  -1.1405557167
C    1.3939406567   1.3122192325   0.7071681087
C    2.5270069012   0.7934345152  -1.3295424552
C   -0.0075923132  -4.2634771685   0.5203147082
C    2.2298968851   2.3998489679   0.9046566993
C    3.3749927143   1.8781026614  -1.1493983397
C    3.2166440281   2.6759949955  -0.0297058490
H   -0.8581601568   0.8231570105  -1.1104349638
H   -1.2052131029  -0.7078690123  -1.8298660617
H   -3.1971652758  -2.2079223656   0.7869202214
H   -3.0770616108  -1.9755084106  -0.9528950083
H   -4.8862999616   0.9598602271   1.2510623299
H   -3.8310497780  -0.1266591191   2.1430548578
H   -4.7729357730  -0.7164968474   0.7696093781
H   -3.2832287527   2.6335011765   0.6148733216
H   -1.6527228054   2.2335180918   0.1110250143
H   -2.1937437350   1.8372571093   1.7396364538
H   -4.0306136902  -0.2043050515  -1.6217332937
H   -4.4524293431   1.4306871318  -1.1616244815
H   -2.8996400597   1.1155126716  -1.9098172864
H    0.9622025725  -1.2324138225  -1.5074354508
H    0.6856000714  -1.3602332812   0.2004301382
H   -0.8791617070  -1.3355109413   1.6852437335
H   -1.5704739673  -3.6258691294  -2.1207938353
H    0.6245929447   1.1037573529   1.4392916826
H    2.6545510768   0.1739975708  -2.2093097317
H    0.7112340821  -4.7603988071   1.1527314689
H    2.1105709061   3.0247709055   1.7797815544
H    4.1452247779   2.0936646040  -1.8778323988
*