! 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  -3.3802666070   2.9649175518  -3.3856058615
O    1.6686382018   1.2554762402   0.4341830669
O    2.2457139371  -2.8508271064  -1.1184438383
N    1.5978137730  -0.9082501079  -0.1472399302
N    1.7616805186  -2.8967997229   1.0992240622
N    2.3666370504  -4.1624087341   2.7936269499
C    1.3762791677   0.0087946544   1.0141637418
C    1.6068700991  -0.1365070982  -1.4154962610
C    1.1807847265   1.2331523574  -0.8836303902
C   -0.0902834973  -0.0458268804   1.4656608182
C    2.3457781735  -0.1727366609   2.1669177161
C    3.0112396182  -0.0444415693  -2.0083337957
C    0.5985502127  -0.6501947311  -2.4321657359
C   -0.5225676131   1.1273557389   2.3436975343
C    1.8908775378  -2.2104988215  -0.1515491226
C   -2.0343993015   1.3787926328   2.2664295111
C   -2.4504328417   1.7932204724   0.8823417076
C    0.6010814311  -3.3115232807   1.7056554930
C    2.7911579514  -3.4609539054   1.7827808933
C   -2.1193771903   3.0569208168   0.3961782968
C   -3.0937747047   0.9098049088   0.0205047904
C    1.0018124579  -4.0852403164   2.7515831805
C   -2.4057467620   3.4277591185  -0.9080278390
C   -3.3854688211   1.2593225694  -1.2910634015
C   -3.0326164164   2.5180940126  -1.7459918590
H    1.6314929795   2.0535719186  -1.4416349341
H    0.0910348438   1.3637192013  -0.9172501118
H   -0.2617306137  -0.9749470144   2.0083693905
H   -0.7245000394  -0.1025912873   0.5778983083
H    2.0847514005  -1.0119538186   2.8067876042
H    2.3151353929   0.7206429267   2.7920116637
H    3.3713183410  -0.2939965156   1.8177479882
H    3.7144281950   0.3895293250  -1.2960655303
H    2.9918338265   0.5992517971  -2.8890768054
H    3.3925798344  -1.0142254868  -2.3189476561
H   -0.3792689639  -0.8097086874  -1.9758801307
H    0.4744564694   0.0935012279  -3.2211475664
H    0.9145988718  -1.5776607957  -2.9038940165
H   -0.2463516282   0.9418961711   3.3843259913
H   -0.0069436431   2.0426677302   2.0464304920
H   -2.2979180153   2.1589173868   2.9845389417
H   -2.5787990851   0.4800210606   2.5667246593
H   -0.3755943004  -3.0643475012   1.3261053107
H    3.8207791466  -3.2995063402   1.5022776246
H   -1.6216396403   3.7702338077   1.0428598263
H   -3.3682053275  -0.0784893317   0.3700062420
H    0.3773803831  -4.5959193724   3.4679386886
H   -2.1385094325   4.4134897360  -1.2648903720
H   -3.8782001896   0.5525837334  -1.9452957554
*