! 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   1.4521529463  -0.7625852044   2.4154830549
Cl   4.1902777751  -3.3655696545  -1.3405819094
O   -1.3126567902   0.3355191731  -0.9837465966
O   -1.1643974877  -0.1586298655   1.1842100816
N   -0.9243173433   2.6569112991   0.5042368990
N   -1.5592698646   2.8503063137   1.6620398754
N   -2.4504341166   4.1310301017   0.0542635140
C   -0.4237212916   0.2794844879   0.0945984508
C   -2.4742603843  -0.4459190693  -0.6861058875
C   -2.1161688725  -1.0660120185   0.6629561655
C    0.1242827862   1.6865857134   0.3537217850
C    0.7388843793  -0.6638223654  -0.2277313355
C   -3.7118902621   0.4311076717  -0.6455852067
C   -3.9927644968   1.1525899964  -1.9536346350
C    1.6126910711  -1.1624756335   0.7370827939
C    0.9832061328  -1.0217228661  -1.5504921992
C    2.6709386060  -1.9961470084   0.4052026287
C    2.0338454218  -1.8475874806  -1.9112343751
C   -1.4698269035   3.4204727546  -0.4460224606
C    2.8701966453  -2.3323940419  -0.9218123669
C   -2.4625708179   3.7428914735   1.3457772093
H   -2.5860194122  -1.2145629463  -1.4570709762
H   -2.9574051789  -1.1249363436   1.3530860036
H   -1.6895191363  -2.0691749616   0.5503956980
H    0.7459080895   1.9861248296  -0.4894249920
H    0.7499280594   1.7011496788   1.2442601240
H   -3.6245805462   1.1489908100   0.1756096520
H   -4.5597581117  -0.2147696962  -0.3998226449
H   -3.1652377850   1.7952883035  -2.2528413664
H   -4.1755382076   0.4460557637  -2.7659458694
H   -4.8772153982   1.7841043881  -1.8643253856
H    0.3356519437  -0.6459036383  -2.3298074612
H    3.3294132495  -2.3730861933   1.1753275258
H    2.1907689767  -2.1036125565  -2.9497442752
H   -1.1150919555   3.4310198366  -1.4645287555
H   -3.1547477202   4.1349207695   2.0748875022
*