! 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   1.7528790214  -0.7908851450  -2.1660403071
Cl   0.5611379344  -5.3862464678   0.2547662454
O   -0.7057058477   1.0876414857   1.1259671687
O   -0.1429236142   1.1352409097  -1.0465208990
N    1.5902066957   2.6627221706   0.6748517508
N    1.9383931596   3.3926443824  -0.3876483080
N    1.2359357342   4.7169198608   1.2765912421
C    0.2492486565   0.6520727311   0.2038713647
C   -1.8482367088   1.5897866440   0.4372419929
C   -1.2348376501   2.0237771793  -0.8853529604
C   -2.9537932785   0.5522281621   0.3082262744
C    1.6066210058   1.2247975050   0.6450300266
C    0.3378531617  -0.8711712080   0.1758664972
C   -4.2604358693   1.1680577610  -0.1804170308
C    0.9781367626  -1.5847953668  -0.8359329779
C   -0.2027970816  -1.6053211355   1.2273932879
C   -5.3783040672   0.1443474186  -0.3014470329
C    1.0478363604  -2.9703511217  -0.8216809770
C   -0.1434355921  -2.9877022654   1.2697032765
C    1.1666582219   3.4643389922   1.6565861033
C    0.4790089986  -3.6604454923   0.2337605515
C    1.7132645942   4.6155467399   0.0191490578
H   -2.2147787471   2.4456177353   1.0094756274
H   -1.9068927536   1.9056886994  -1.7366364064
H   -0.8988519642   3.0653850665  -0.8621592001
H   -3.1195589870   0.0926756178   1.2870453139
H   -2.6439611385  -0.2508779855  -0.3690108950
H    2.4022308132   0.9086685259  -0.0263170907
H    1.8468959520   0.8546302402   1.6419720279
H   -4.1099625331   1.6518528583  -1.1501262072
H   -4.5652502364   1.9610622114   0.5093013614
H   -0.6882696762  -1.0890714345   2.0430042877
H   -5.1276287890  -0.6370807895  -1.0212499246
H   -5.5790576664  -0.3414573432   0.6554270871
H   -6.3071214103   0.6101775413  -0.6336124992
H    1.5422052389  -3.4990813464  -1.6247512916
H   -0.5785558193  -3.5237605345   2.1015184255
H    0.8363175530   3.0964211152   2.6150217728
H    1.9062791406   5.4692754925  -0.6120045747
*