! 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
O    0.9510119535   0.6830495846  -1.2337065583
N    0.8640639566  -2.1260463285  -0.5865597256
N    0.8053554119  -2.9641295201   0.4506829070
N   -1.0836323621  -3.0704916621  -0.7449867322
C    3.2939939270   0.8347450433  -0.4063775224
C    1.9028442541   0.1262876834  -0.3732753706
C    3.9949719792   0.2337535915   0.8235514554
C    1.5835045950   0.1621913555   1.1068485861
C    2.8790668362  -0.0723650365   1.8426522632
C    2.0416410810  -1.3302227036  -0.8412363124
C    3.0995738555   2.3394970172  -0.2016688645
C    4.0719603106   0.6150671951  -1.6964076867
C    0.4290146405   0.4154132943   1.7163097636
C   -0.2696398349  -2.1952503231  -1.2874699217
C   -0.3767820344  -3.5105436442   0.3142130603
H    4.7433911344   0.9186378639   1.2250256034
H    4.5320182833  -0.6778214137   0.5524575015
H    2.9427734469   0.5554086762   2.7318789426
H    2.9375804703  -1.1072692798   2.1893206942
H    2.8724123643  -1.8362724186  -0.3541365715
H    2.2343554393  -1.3477045941  -1.9142598900
H    2.5501499518   2.5773977412   0.7124641094
H    4.0712309272   2.8307206697  -0.1251694545
H    2.5787335518   2.8078742873  -1.0398557394
H    4.3287374534  -0.4320779570  -1.8645149310
H    3.5156856549   0.9694087369  -2.5671420379
H    5.0131194764   1.1688016421  -1.6674287888
H    0.7032312841   1.5616931652  -0.9303869580
H   -0.4510846176  -1.6085443748  -2.1732837833
H   -0.7424872074  -4.2547868422   1.0049981522
C   -0.8926181678   0.6985966257   1.1126107504
C   -3.4200930759   1.2334585952   0.0725448487
C   -1.8825524276  -0.2799984770   1.1006401593
C   -1.2119725995   1.9632381586   0.6218004856
C   -2.4647343275   2.2365541679   0.0930582386
C   -3.1414666708  -0.0253444383   0.5795075978
H   -1.6703739591  -1.2620287280   1.5014740953
H   -0.4796339126   2.7615785388   0.6634684913
H   -2.6888431507   3.2226318030  -0.2907923981
H   -3.8922009399  -0.8039507682   0.5696566248
Cl  -4.9901484976   1.5619447262  -0.5867246551
H    0.4373655013   0.4082950919   2.8048010630
*