! 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   0.2634236529  -0.1048760242   2.0952177438
Cl  -7.6304299328   0.4632749791   0.4699940296
O    3.5063588891  -0.1806944556  -1.0434451824
O    3.0167123163   0.1753509826   1.1214124617
O   -2.3921289058   1.9199174421  -1.7067638242
N    3.5377234002  -2.5261557005   0.6465747238
N    4.5771504376  -2.8984233274  -0.1036314754
N    5.0249671351  -3.2141701628   2.0681028316
C    2.5374101415  -0.3972890806  -0.0671577318
C    4.3669298542   0.8694465085  -0.6131157281
C    2.3623489896  -1.9163349835   0.0862865388
C    4.3132428525   0.7003855796   0.8936068420
C    1.2049293690   0.2352307088  -0.4522143620
C    5.7333970453   0.6955831682  -1.2240558149
C    0.1445340655   0.3950853420   0.4382230134
C    0.9907768366   0.6475108946  -1.7643049489
C   -1.0660955473   0.9481677224   0.0524411195
C   -0.2106355735   1.1927865373  -2.1806775059
C   -1.2411893843   1.3420367939  -1.2666093624
C    3.8215422862  -2.7115509529   1.9385361833
C    5.4414546739  -3.3079054109   0.7890161418
C   -3.5931530446   1.5453157468  -1.1665667037
C   -4.4785783744   2.5481534129  -0.8051956544
C   -3.9464742210   0.2085842153  -1.0345128990
C   -5.7297467250   2.2163626581  -0.3079689202
C   -5.1910292442  -0.1238195319  -0.5257954367
C   -6.0743245787   0.8823089615  -0.1648479375
H    3.9438808550   1.8400562068  -0.9021476289
H    2.1572737100  -2.3656296608  -0.8846083712
H    1.5198015420  -2.1448661962   0.7361677080
H    5.0861871756   0.0089838237   1.2504990232
H    4.4190760646   1.6431191332   1.4315258818
H    6.4069257495   1.4672810028  -0.8499544376
H    6.1546974771  -0.2783044727  -0.9723002688
H    5.6991905066   0.7889969481  -2.3095844015
H    1.7815607202   0.5303279781  -2.4919146078
H   -1.8556059978   1.0708670951   0.7821520415
H   -0.3456954384   1.4982854480  -3.2098953066
H    3.1279712806  -2.4787319247   2.7312900710
H    6.4089515095  -3.6944184459   0.5079349474
H   -4.1977215027   3.5875588353  -0.9150173410
H   -3.2654198207  -0.5802650066  -1.3277243680
H   -6.4210182915   2.9992494588  -0.0274435462
H   -5.4660376078  -1.1643663230  -0.4207611855
*