! 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  -5.4787731107   4.3401879853   1.3788222458
O    1.6979676835   1.1758808499   0.9270148144
O    0.5613796289  -2.7783398823   0.5160098034
N    1.9094740810  -0.9755710723   0.2412972055
N    2.5147522007  -3.0853312162  -0.6011432588
N    3.2618392962  -4.4248207565  -2.1773956133
C    1.0441115258  -0.0683608019   1.0452644119
C    3.0907881949  -0.2475719012  -0.2841389263
C    2.5379236293   1.1728002615  -0.1990989937
C   -0.3945059797   0.0336520906   0.5232210290
C    1.0494298325  -0.4463939839   2.5192537858
C    4.3011049941  -0.3951505843   0.6340175071
C    3.4594456047  -0.5551325542  -1.7282783994
C   -0.5625723031   0.3500064692  -0.9565799265
C    1.5796215535  -2.2627456577   0.1066779885
C   -2.0246928147   0.2657753230  -1.4079308891
C   -2.9110304396   1.2693657443  -0.7252744268
C    3.6507790611  -3.6721809769  -0.1020236913
C    2.3167826801  -3.5935810622  -1.8447484319
C   -3.7502661214   0.9039293323   0.3231884928
C   -2.8870687609   2.6090982666  -1.1084564968
C    4.0956010593  -4.4899956690  -1.0959190145
C   -4.5416827992   1.8383811442   0.9765881888
C   -3.6701811618   3.5580829083  -0.4702672262
C   -4.4931629995   3.1619667673   0.5728038594
H    3.3289893672   1.9094049849  -0.0511121023
H    1.9989490288   1.4385818811  -1.1161094010
H   -0.8704834463   0.8160332063   1.1212178820
H   -0.9255584654  -0.8879226602   0.7610967432
H    0.5361161608  -1.3886056895   2.6976587827
H    0.5346812538   0.3230560994   3.0962057107
H    2.0675289041  -0.5310549066   2.9003606926
H    4.0789491578  -0.0866751771   1.6558182602
H    5.1155877946   0.2320450764   0.2687712872
H    4.6723824901  -1.4176166951   0.6613729394
H    4.0601806053  -1.4558385723  -1.8385974206
H    2.5797036249  -0.6312288276  -2.3678804351
H    4.0646344718   0.2703945317  -2.1082735444
H   -0.1825985025   1.3497848662  -1.1811805206
H    0.0152037508  -0.3477203214  -1.5691363301
H   -2.4004538614  -0.7442234734  -1.2259615600
H   -2.0640255438   0.4206924377  -2.4888598086
H    4.0097589884  -3.4893251787   0.8961824485
H    1.4779856687  -3.3018517876  -2.4580153946
H   -3.7955269451  -0.1307999710   0.6412079748
H   -2.2490662048   2.9245125992  -1.9258792298
H    4.9681113177  -5.1243117549  -1.0832214625
H   -5.1873573002   1.5318591901   1.7886375488
H   -3.6393747372   4.5921411867  -0.7866406554
*