! 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  -5.3804979920  -0.5473547358   0.2794993913
O    3.0078537003  -0.0688144404  -1.3553800652
O    0.4118714573  -0.4650434600  -0.6007496524
N    1.2251230273   1.6144161581   0.0473770479
N    1.2341979199   2.4449952952   1.0935157516
N    1.1088009030   3.5939249549  -0.8212001109
C    2.9977116728  -1.7935603567   0.4074588330
C    2.7214048355  -0.3261604304  -0.0046720740
C    1.3038959229   0.1766470322   0.2539774078
C    2.5090712711  -2.0364435616   1.8365191667
C    2.3634355614  -2.8160666934  -0.5357020034
C    4.5189975664  -1.9877668728   0.3825718439
C    1.1536523359   2.3113186095  -1.0909350712
C   -0.9206779714  -0.4253562589  -0.3335088981
C    1.1658549156   3.6204889575   0.5248957122
C   -1.7250690686  -1.1742726542  -1.1881336879
C   -1.4981598528   0.2917334994   0.7077914955
C   -3.0942388140  -1.2140432590  -1.0023991330
C   -2.8739340800   0.2488102573   0.8935684928
C   -3.6641101919  -0.5005914397   0.0425804214
H    3.3460354019   0.2997532248   0.6507133014
H    1.0542920303   0.0223080776   1.3069090069
H    2.8935147658  -1.2888232849   2.5354864717
H    1.4198913932  -2.0385532136   1.9146921123
H    2.8485165823  -3.0114709282   2.1911230718
H    2.7122183982  -3.8187768416  -0.2790424647
H    2.6380566033  -2.6355861429  -1.5755810062
H    1.2760278201  -2.8312365801  -0.4741320923
H    4.9388833510  -1.8799112195  -0.6200924175
H    4.7813104120  -2.9903210061   0.7256592195
H    5.0281140896  -1.2757319469   1.0370532046
H    3.9590659148   0.0234578748  -1.4620344102
H    1.1241075539   1.8620402497  -2.0699200684
H    1.1492719777   4.5313153018   1.1030274509
H   -1.2753862864  -1.7310674203  -2.0004295954
H   -0.9185741034   0.8996183069   1.3886858700
H   -3.7092104173  -1.8014508883  -1.6705381564
H   -3.3140013639   0.8109303984   1.7059565683
*