! 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   5.3870800923   2.1316102002  -0.9548930107
O   -2.1893277965  -0.4321609238   1.8559221507
N   -1.3496663974  -2.7192791620   0.1098153566
N   -0.7890658003  -2.8989976266   1.3090151987
N    0.3519112228  -4.0151176961  -0.2540055553
C   -2.2907719081  -0.4234479515   0.4466616425
C   -3.5611368342   0.4230231841   0.0884532366
C   -0.9724350595   0.0879886673  -0.1747495377
C   -2.5131567402  -1.8738224591  -0.0511656392
C   -4.8505934280  -0.3627738380   0.3765019412
C   -3.6450878741   1.7066149062   0.9245784662
C   -3.5590311711   0.8082656938  -1.3927924042
C   -0.4883744225   1.4846355905   0.2244510931
C    0.9756559589   1.6592749690  -0.0774126688
C   -0.6583204883  -3.3865117360  -0.8118259817
C    1.9386603954   1.0622398243   0.7351949877
C    1.4116509794   2.3976469567  -1.1726186299
C    0.2294320415  -3.6807102667   1.0414384953
C    3.2922448504   1.1986891401   0.4740990590
C    2.7637943639   2.5475182114  -1.4524690541
C    3.6944556909   1.9457384581  -0.6229194283
H   -1.0186377980   0.0158429713  -1.2648998880
H   -0.1849169654  -0.6094773442   0.1238864761
H   -3.3310716715  -2.3383196632   0.4978638813
H   -2.7675097848  -1.8941967987  -1.1099779664
H   -5.0076284452  -1.1971978368  -0.3088466708
H   -5.7123094454   0.2972958532   0.2590023216
H   -4.8795582095  -0.7504452585   1.3963687701
H   -2.8059361862   2.3812783945   0.7713611213
H   -3.7195551649   1.5019508944   1.9920781026
H   -4.5444277705   2.2581468945   0.6400891859
H   -4.4985954794   1.3016779464  -1.6495610750
H   -2.7569927753   1.5044618997  -1.6421782793
H   -3.4662173927  -0.0542631397  -2.0561364069
H   -0.6527520024   1.6393017235   1.2928548892
H   -1.0505625268   2.2586228616  -0.2993678400
H   -1.5575399733  -1.1197270032   2.1128871733
H   -0.9258620514  -3.3870911145  -1.8569042375
H    1.6310268666   0.4816888751   1.5974975458
H    0.6889625977   2.8740989665  -1.8244456381
H    0.9034923431  -4.0205938634   1.8123100659
H    4.0217113011   0.7324434788   1.1228278390
H    3.0814418088   3.1310884914  -2.3062854527
*