! 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  -0.7937126695  -1.9110179100  -2.2495509061
Cl  -4.4274453068  -2.1069004243   1.6778658580
O    3.1466120226  -0.3397904054  -0.0229234725
N    1.9532749260  -0.8328420697   0.3961602427
N    3.0478765973   3.7461677912  -0.5855225805
C    1.0719396191   0.6377243485  -1.3778716349
C    0.9687941707  -0.3836159161  -0.2716370186
C   -0.3598032838  -0.8358750886   0.1963691298
C    1.4300272725   1.9901878081  -0.8178208661
C   -1.2573555401  -1.5035970347  -0.6335877530
C   -0.7533414220  -0.5929719378   1.5100514026
C    0.5306152333   2.7189698717  -0.0480940489
C    2.6772169226   2.5604020685  -1.0486694416
C   -2.5091259464  -1.8989590733  -0.1931042515
C   -1.9973253636  -0.9782519290   1.9795013052
C   -2.8672034820  -1.6235578234   1.1165895286
C    0.9094365600   3.9556579593   0.4483569860
C    2.1785652703   4.4265036430   0.1514303359
C    4.1909221608  -0.8205486726   0.8022403237
H    1.8161927246   0.3280001497  -2.1139886437
H    0.1201495045   0.7090083100  -1.9031091665
H   -0.0723378615  -0.0813111097   2.1771721742
H   -0.4605837766   2.3317299026   0.1585742530
H    3.4081837052   2.0290518584  -1.6490636473
H   -3.1852063669  -2.4216292024  -0.8555378327
H   -2.2807266647  -0.7730569616   3.0023644190
H    0.2323991417   4.5479310448   1.0487392470
H    2.5058987328   5.3917272709   0.5209560460
H    5.1103750313  -0.3886267168   0.4110859674
H    4.2681159745  -1.9095817288   0.7675890751
H    4.0650834990  -0.5024723895   1.8397194664
*