! 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   0.6504843554   0.2057872120   2.5835432169
Cl   3.9409291247   3.3081708964  -0.2577137434
N   -1.3682561713  -2.8046316926  -0.8405366314
N   -1.4502800084  -3.5075587448   0.2893899320
N   -3.0505679334  -4.1413858296  -1.1417824135
C   -0.7206646375  -0.5297785861  -0.1350787507
C   -2.0023280548   0.1690789114  -0.6006602827
C   -0.3845780381  -1.7565673422  -0.9931503100
C    0.4556930859   0.4158193502  -0.1294038815
C   -2.4164241876   1.3373221871   0.2849886477
C    1.1288853466   0.8054638837   1.0260541192
C    0.9118863236   0.9608646850  -1.3295357493
C   -3.7124849671   1.9820492246  -0.1817205151
C    2.1985659847   1.6900308798   1.0010169419
C    1.9759703073   1.8424439752  -1.3914965710
C   -2.3280735305  -3.1885902419  -1.6834580332
C    2.6119181425   2.2014377459  -0.2148072199
C   -2.4703321105  -4.2960733671   0.0627489274
H   -0.8870255308  -0.8927367249   0.8809268150
H   -1.8826972385   0.5122970276  -1.6342168622
H   -2.8169535873  -0.5613318574  -0.6155206717
H    0.5861456048  -2.1652830253  -0.7128287153
H   -0.3429502133  -1.5030277508  -2.0526963946
H   -2.5314437155   0.9870098572   1.3148287962
H   -1.6253829740   2.0920171875   0.3043632511
H    0.4183844124   0.6965140632  -2.2563495409
H   -4.0010816792   2.8085907311   0.4690193152
H   -4.5365191257   1.2659142575  -0.1868400279
H   -3.6167499299   2.3805481551  -1.1937343185
H    2.6955145149   1.9737953342   1.9180374365
H    2.2971819548   2.2416668495  -2.3432461395
H   -2.4541097786  -2.7557204175  -2.6632428842
H   -2.8045998793  -5.0140614412   0.7954037982
*