! 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   5.3021862663   2.5549113999   0.4832323544
O   -2.5062159033  -1.1085142100   1.7167669491
N   -1.2612613686  -2.4983761147  -0.5952483250
N   -0.9150564966  -3.1130090582   0.5394019582
N    0.4100863266  -3.7772445630  -1.1295151009
C   -2.3116670644  -0.4920196936   0.4559622720
C   -3.5144646500   0.5001233708   0.3024371056
C   -0.9192063850   0.1842118448   0.4831295889
C   -2.3800280294  -1.5751818476  -0.6410791064
C   -3.6156865095   1.4029993788   1.5384270887
C   -3.3883802851   1.4072812198  -0.9238799791
C   -4.8387379092  -0.2682148710   0.1825546701
C   -0.2480301585   0.6182760545  -0.8275540481
C    1.1458300781   1.1076574476  -0.5467067589
C   -0.4660510235  -2.9091684950  -1.5826858192
C    2.2164583067   0.2196908369  -0.4784228824
C    1.3916134803   2.4533918604  -0.2894735417
C    0.0929265063  -3.8663288743   0.1737253819
C    3.4954190602   0.6536113357  -0.1642351295
C    2.6632878071   2.9083042809   0.0268132947
C    3.7072938734   1.9997453162   0.0881184279
H   -0.2355416327  -0.5151393680   0.9745424411
H   -0.9614932095   1.0460153730   1.1533156185
H   -3.2929038275  -2.1594038082  -0.5308536889
H   -2.3882068287  -1.1427886067  -1.6402504965
H   -3.8409664817   0.8455846385   2.4465855344
H   -4.4224879560   2.1248603980   1.3942563827
H   -2.7069910209   1.9809620929   1.7152710164
H   -3.1985824851   0.8634872102  -1.8513629283
H   -2.6088894700   2.1599819521  -0.8080191808
H   -4.3238873807   1.9521045851  -1.0673355819
H   -4.9688238178  -1.0001716267   0.9800870021
H   -5.6740071473   0.4323358883   0.2463102311
H   -4.9437880145  -0.7847970350  -0.7735660389
H   -0.8096425431   1.4074890787  -1.3236281443
H   -0.1958759106  -0.2086382746  -1.5368071641
H   -1.9000949562  -1.8620924131   1.7815065442
H   -0.5593959604  -2.5566983957  -2.5982327069
H    2.0598864236  -0.8345571905  -0.6770473568
H    0.5783309512   3.1679824130  -0.3366705292
H    0.6152190528  -4.4990866201   0.8742151232
H    4.3139028340  -0.0521048949  -0.1192659248
H    2.8329867832   3.9587360404   0.2218443171
*