! 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   0.2274551928   0.0605691930   2.3350288106
Cl  -4.3514577163  -1.1444179936  -0.1765810142
O    3.6262181641  -1.7436703226  -0.0383071746
N    2.2770276600  -1.9027579781   0.0855342025
N   -0.4877751575   2.8103086902  -1.7005198003
C    2.2501449360   0.4534076003  -0.6522126365
C    1.6290768833  -0.8495933524  -0.1991084560
C    0.1515536753  -0.9737364313  -0.1544392989
C    1.3076108519   1.6210077592  -0.6416302687
C   -0.5901043509  -0.5371088975   0.9370370548
C   -0.5366840285  -1.4857369187  -1.2483381196
C    1.3137473535   2.5525510841   0.3878124167
C    0.3834314258   1.8134209660  -1.6642165212
C   -1.9743282244  -0.5837092385   0.9454165076
C   -1.9197130499  -1.5476757080  -1.2684465868
C   -2.6247115537  -1.0870055052  -0.1690118964
C    0.4105339457   3.6025839540   0.3611937176
C   -0.4743153798   3.6837951902  -0.7001406267
C    4.2940289670  -2.9169438254   0.3841803510
H    3.1235757697   0.6737968050  -0.0351559174
H    2.6353741772   0.2975097328  -1.6660045966
H    0.0206261469  -1.8329324946  -2.1085743489
H    2.0210505419   2.4609634009   1.2020442756
H    0.3534528009   1.1233139850  -2.5023657278
H   -2.5319160624  -0.2384047134   1.8046329511
H   -2.4356924806  -1.9446544561  -2.1314133739
H    0.3911769141   4.3436300092   1.1487494705
H   -1.1988278904   4.4880569418  -0.7494888114
H    5.3566375369  -2.7316808364   0.2370268737
H    4.0023975632  -3.7869482983  -0.2085117181
H    4.1165280924  -3.1281073338   1.4412706826
*