! 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   0.7844506040  -1.0718885170   2.6786440568
Cl   4.1318699890  -1.6552978973  -1.4266358005
O   -2.2095821563   0.0794100057  -0.4882620819
O   -1.9131203222  -0.9400658672   1.4601721477
N   -0.4052344988   2.2707322984   0.6532560474
N   -0.7348252669   2.8416618062  -0.5063447492
N    1.3411426892   3.4292049611   0.0958112343
C   -1.3338776823  -0.0177467216   0.5868708334
C   -2.7642078237  -1.2155864301  -0.7028987035
C   -2.6405553048  -1.8741204076   0.6802944405
C   -1.2706137212   1.3319822453   1.3139896183
C    0.0515557061  -0.4637386266   0.1135185062
C   -4.1815467784  -1.0861050684  -1.2168787515
C   -4.2718262394  -0.3747159035  -2.5577848740
C    1.0398301477  -0.9446853773   0.9694161392
C    0.3847879367  -0.3356680031  -1.2321714978
C    2.2939540042  -1.3150672269   0.5063408378
C    1.6274549973  -0.6962780374  -1.7227928126
C    0.8375311689   2.6215114881   0.9952589854
C    2.5730831450  -1.1914303077  -0.8429199294
C    0.3390534631   3.5294738266  -0.7998079366
H   -2.1588242990  -1.7616785456  -1.4375984191
H   -3.6101827415  -2.0390187229   1.1556687753
H   -2.1178438072  -2.8325471566   0.6259924329
H   -0.8913874697   1.1877861108   2.3238588607
H   -2.2743043056   1.7503280708   1.3900576766
H   -4.7905482974  -0.5701367606  -0.4684945360
H   -4.5913265945  -2.0956967350  -1.3078812619
H   -3.6881855180  -0.8914199361  -3.3222973089
H   -5.3041419633  -0.3340517957  -2.9061218185
H   -3.9068314882   0.6508914693  -2.4977091431
H   -0.3462698933   0.0608806340  -1.9224774544
H    3.0401922424  -1.6896650440   1.1931590657
H    1.8483868296  -0.5880545521  -2.7755269891
H    1.3189612796   2.2771148693   1.8975435228
H    0.4038824338   4.1301332057  -1.6938622013
*