! 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   0.9905255850  -0.5325118009  -2.2956658044
Cl   5.7425550440  -0.4254976900   0.1093280360
O   -0.9663788012  -0.6185790742  -0.0851962632
O   -0.6144605258   0.5695689275   1.7776445617
N   -2.0228613305   1.9236963810  -0.3849793611
N   -2.7408080157   2.3856339605   0.6403281863
N   -4.0780056645   1.8455303899  -1.0732715142
C   -0.2379703188   0.4419007215   0.4327170285
C   -1.1978530719  -1.5238684683   0.9869187836
C   -1.3670115592  -0.5702893290   2.1618657499
C   -2.3664440858  -2.4396460559   0.6831393493
C   -0.6003216611   1.7362354581  -0.3043298007
C    1.2687465035   0.1979307027   0.3306398392
C   -3.6605157345  -1.7578202644   0.2561743981
C    1.8881316870  -0.2278682612  -0.8443666967
C    2.0877365538   0.4281283725   1.4314773204
C   -4.7784954326  -2.7654298945   0.0343438547
C    3.2588353792  -0.4236017056  -0.9209334413
C    3.4591462117   0.2412373035   1.3839030503
C   -2.8322375458   1.5976038576  -1.3948846310
C    4.0336094536  -0.1863522234   0.2007144868
C   -3.9645307033   2.3231591500   0.1819598482
H   -0.3034468990  -2.1416150258   1.1460718932
H   -2.4086439238  -0.2820659362   2.3288783160
H   -0.9697810247  -0.9860196464   3.0892494695
H   -2.5400079085  -3.0400869877   1.5823230749
H   -2.0584933339  -3.1492708209  -0.0902335847
H   -0.2054037547   1.7314366536  -1.3183709158
H   -0.1552430195   2.5842381866   0.2146985660
H   -3.4970834208  -1.1928767410  -0.6626918502
H   -3.9778364740  -1.0316161762   1.0084803456
H    1.6490217358   0.7642462224   2.3600001873
H   -5.0028590414  -3.3242943405   0.9451862407
H   -5.6984836042  -2.2718679664  -0.2820220328
H   -4.5148367830  -3.4902912888  -0.7386743168
H    3.7108732094  -0.7567022031  -1.8448134387
H    4.0628780821   0.4298819477   2.2605091685
H   -2.4723803265   1.1984934125  -2.3301738557
H   -4.8092266575   2.6421010457   0.7728473350
*