! 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  -0.5439110250  -2.2086004066  -2.0980933524
Cl  -4.4401700585  -1.3973263252   1.4861746541
O    3.3911776915  -0.6681034415   0.1624317088
N    2.1278193145  -1.0175746201   0.5185988965
N    2.4874501952   3.7431552347   0.0188282061
C    1.4569351624   0.4075101539  -1.3961004983
C    1.2310448119  -0.5365262015  -0.2420023431
C   -0.1623212739  -0.8037350230   0.1826210780
C    1.3698204077   1.8196332695  -0.8789320302
C   -1.0689359739  -1.5051126847  -0.6073415730
C   -0.6152898256  -0.3097322877   1.4029963884
C    0.1450814453   2.4582810734  -0.7206459802
C    2.5087536763   2.5186964259  -0.4900841154
C   -2.3853326201  -1.6950467321  -0.2209040871
C   -1.9236185783  -0.4876562315   1.8190023383
C   -2.7991581945  -1.1740069842   0.9942624873
C    0.1110798959   3.7357571731  -0.1864341075
C    1.3087792854   4.3342547858   0.1709175510
C    4.3262245436  -1.2847389119   1.0275758184
H    2.4220204288   0.2276569332  -1.8683319069
H    0.6931708979   0.2513636227  -2.1579970957
H    0.0697145015   0.2368553978   2.0371979987
H   -0.7739540584   1.9677429041  -1.0183486589
H    3.4864026829   2.0621206056  -0.6035958178
H   -3.0691646027  -2.2468754774  -0.8506577322
H   -2.2511009618  -0.0890315709   2.7688438896
H   -0.8247925226   4.2604914860  -0.0513847716
H    1.3158990602   5.3324314711   0.5940866632
H    4.1833435034  -0.9750572635   2.0653434521
H    5.3093694654  -0.9577483524   0.6939028807
H    4.2760368696  -2.3742675805   0.9681535478
*