! 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  -5.3918388171  -0.7878304649   0.6261072855
O    3.6319910615   0.6856297753  -0.1082004018
O    0.3290992453  -0.5550262125  -0.6215507903
N    1.1274342590   1.6130225730  -0.4666482463
N    1.5480880968   1.9416194918  -1.6925574312
N    0.5552362007   3.6900583217  -0.7097518484
C    3.0493904219  -1.4932519419   0.6680376948
C    2.6628180648  -0.3171026652  -0.2582378478
C    1.2591531958   0.2633288095   0.0310635501
C    4.3598813326  -2.0854169455   0.1398866771
C    3.2604026520  -1.0245799807   2.1100128555
C    1.9914736217  -2.5992455085   0.6546835910
C    0.5331437923   2.6657376853   0.1048585179
C   -0.9825491676  -0.5417971068  -0.2682090438
C    1.1887430767   3.1948161928  -1.7917517398
C   -1.4718488628  -0.0947758692   0.9534514397
C   -1.8634225301  -1.0601065499  -1.2135468761
C   -2.8315626208  -0.1716649308   1.2252230508
C   -3.2166154421  -1.1403331604  -0.9415860329
C   -3.6961609402  -0.6926338623   0.2807529441
H    2.6413329081  -0.6922842463  -1.2907072917
H    1.0880789481   0.3213068769   1.1083742249
H    4.6638534668  -2.9383208183   0.7503456924
H    4.2502974246  -2.4433890781  -0.8869294332
H    5.1764202489  -1.3638233621   0.1568180374
H    3.5275087405  -1.8754463058   2.7396448918
H    2.3614404484  -0.5844883441   2.5479248545
H    4.0634279200  -0.2936493559   2.1963171948
H    2.3728198097  -3.4676196833   1.1954643024
H    1.7494899305  -2.9299600529  -0.3566106340
H    1.0614692272  -2.3121090594   1.1474146388
H    3.6236912812   1.2409575024  -0.8953343016
H    0.1123085494   2.6398826459   1.0983232240
H    1.3922858427   3.7770982199  -2.6768078672
H   -0.8299067604   0.3033043402   1.7268433308
H   -1.4841746986  -1.4062424029  -2.1663045488
H   -3.1993906990   0.1755750106   2.1809343003
H   -3.8889793917  -1.5471781043  -1.6844857364
*