! 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   0.5692873103  -1.7817351814  -2.0560125078
Cl   5.2660536657  -0.7523550661   0.2906297770
O   -0.9823754274   1.4740668809   0.4549106281
N   -2.8220622687  -0.7424696399   0.6437933226
N   -4.8630703652  -0.1169595497   1.1870769951
C   -0.6738915132   0.2157263116  -0.0770769185
C   -1.3887756917  -0.8851629763   0.7142967760
C    0.8175323650  -0.0139493893  -0.0077778312
C    1.4652777195  -0.9116805384  -0.8510508598
C    1.5947593141   0.6408473507   0.9427828929
C   -3.6077581546  -0.9963842880  -0.4463994222
C   -3.6229544069  -0.2076936281   1.5907672790
C   -1.9269399006   2.2502442124  -0.2429615251
C    2.8288904922  -1.1483501533  -0.7749316274
C    2.9581677843   0.4245917756   1.0464642877
C    3.5644275160  -0.4702533910   0.1810934116
C   -4.8652827981  -0.6068368936  -0.0874685256
C   -1.7031814659   3.7041713529  -0.0007716773
C   -0.7003103764   4.2488093541   0.6748313669
H   -0.9916639926   0.1599205943  -1.1261094301
H   -1.1076681936  -1.8707395979   0.3420848993
H   -1.0899070095  -0.8376275819   1.7618287810
H    1.1299644018   1.3401425321   1.6236303560
H   -3.2185783011  -1.4322683485  -1.3522541127
H   -3.2434887847   0.0899974997   2.5565698519
H   -1.8725384514   2.0623208074  -1.3241545356
H   -2.9533496380   1.9987314332   0.0558003837
H    3.3040579507  -1.8461527771  -1.4503956338
H    3.5349917714   0.9495439579   1.7951393114
H   -5.7672325731  -0.6610457072  -0.6775803576
H   -2.4627997332   4.3423528895  -0.4416963449
H   -0.6302253028   5.3230473662   0.7856451427
H    0.0863565417   3.6650021307   1.1343453136
*