! 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   3.7752887126  -3.5425850713   1.1840600118
N   -3.4189793398   0.3017906436   0.2793678696
N   -3.8388493460   1.0458736772   1.3071050095
N   -4.6469134073  -1.0355013726   1.4660149271
N   -0.6088603152  -1.8354884494  -0.1730254036
C   -1.0334851464   0.7344187855  -0.3935627133
C   -0.7150716350   1.4502376857   0.9405259907
C   -2.5470500582   0.8384026768  -0.7330535823
C   -0.2755249884   1.3298612917  -1.5748472073
C    0.7695493380   1.6682530065   1.2379069533
C    1.5712262977   0.3983718457   1.2562773363
C   -0.7437545695  -0.6967879612  -0.2618295749
C    0.4170721905   0.5446480354  -2.4893844291
C   -0.3040099157   2.7105894925  -1.7632259072
C    1.3946373234  -0.5379587071   2.2723759982
C    2.4678370337   0.1014086217   0.2356301452
C    1.0807821343   1.1273655789  -3.5612044140
C    0.3592259691   3.2922760384  -2.8323617677
C   -3.9095499840  -0.9375208288   0.3878919224
C    1.0579093398   2.5020520027  -3.7350833049
C    2.0669895084  -1.7476850618   2.2598991972
C    3.1523250686  -1.1047886246   0.2050715043
C   -4.5696938188   0.2037866459   1.9899465401
C    2.9363685187  -2.0247718381   1.2157549233
H   -1.1699361717   0.8890844530   1.7585383613
H   -1.2150118312   2.4205013622   0.9332913863
H   -2.8069045931   1.8856553490  -0.8770463309
H   -2.7457929313   0.3164124992  -1.6681027669
H    0.8293434003   2.1625205154   2.2106268564
H    1.1984217055   2.3651228840   0.5161319382
H    0.4581151205  -0.5311760210  -2.3763594065
H   -0.8373455468   3.3504796151  -1.0708202635
H    0.7110233218  -0.3305524371   3.0876143560
H    2.6380679007   0.8183513972  -0.5580182009
H    1.6189893316   0.4983943705  -4.2583145046
H    0.3311963284   4.3669216748  -2.9566824177
H   -3.7115366752  -1.7144130420  -0.3339255402
H    1.5800558066   2.9562717175  -4.5670535629
H    1.9119968209  -2.4658031787   3.0539359276
H    3.8425901525  -1.3183045276  -0.6001269146
H   -5.0729361148   0.4954043176   2.8987606856
*