! 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  -4.9201247617  -1.9505822978  -1.0024634805
O    1.7797357845  -1.6432813960  -0.3029446206
N    1.9405831555  -0.2721157291  -0.6469824945
N    2.2428040930   4.1896465585   0.8350204932
C    2.1620109912   0.3995049280   0.6478159441
C    1.1270170858  -0.3396358111   1.5277566665
C    0.8379612294  -1.6370097418   0.7421665763
C    1.7946611152   1.8588421659   0.4602938420
C    3.5662761640   0.1984102199   1.2157118629
C   -0.5905034635  -1.7194136630   0.2590619334
C    3.0114539507  -0.1960284246  -1.6087113094
C    0.6344656862   2.2052350509  -0.2312677653
C    2.5566643677   2.9036460993   0.9675609389
C   -1.5855017840  -2.0429383848   1.1776840216
C   -0.9570342995  -1.4787878103  -1.0597449532
C    0.2994243699   3.5381052058  -0.3776641448
C   -2.9171578424  -2.1167902292   0.8028160091
C   -2.2873029781  -1.5462375457  -1.4516443931
C    1.1370557137   4.4965620158   0.1747334152
C   -3.2577822712  -1.8640995503  -0.5168245917
H    1.5362900262  -0.5483390632   2.5157947424
H    0.2204094407   0.2464560371   1.6728648105
H    1.0520873955  -2.5182749569   1.3519676235
H    4.3374462493   0.6970489663   0.6274249517
H    3.8129253357  -0.8634288301   1.2583838459
H    3.6309355114   0.5797327756   2.2348885993
H    3.9480269643  -0.6619944340  -1.2835310339
H    3.2043258438   0.8546848136  -1.8245980421
H    2.6978386769  -0.6668802748  -2.5407370677
H   -0.0004064721   1.4360637629  -0.6521807577
H    3.4705427187   2.7068549294   1.5152205473
H   -1.3246007238  -2.2461193427   2.2100314356
H   -0.2127594878  -1.2260154839  -1.8018101522
H   -0.5941461389   3.8337799546  -0.9105468605
H   -3.6747328788  -2.3723273000   1.5313306222
H   -2.5567447734  -1.3518124252  -2.4810867046
H    0.9026134570   5.5509214203   0.0778944127
*