! 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  -0.0961804508   2.1589393256   0.1992676046
Cl  -7.3898592612  -0.7200024466  -1.8061097591
O    3.5522592505  -0.5002254326   0.0890474939
O    2.5752753768   1.3105161780  -0.7748074401
O   -2.4200183694  -2.2848666898   0.8675334246
N    4.1530330100   1.8863154356   1.4887405080
N    4.2403253504   3.1419514015   1.0467690037
N    6.2808362413   2.2988111549   1.4186779504
C    2.5455035273   0.4466286539   0.3154853743
C    3.9168087498  -0.4919625221  -1.2933517137
C    2.8883066830   1.2109051431   1.5967553008
C    2.9507732406   0.5275649001  -1.8891630504
C    1.1892197537  -0.2435344660   0.4612974612
C    3.8175405163  -1.8685117611  -1.9049146864
C   -0.0249052411   0.4386800204   0.4039975047
C    1.1256937975  -1.6166061382   0.6851851668
C   -1.2435140353  -0.2108215058   0.5268114265
C   -0.0748067641  -2.2927054570   0.8045987157
C   -1.2632760914  -1.5855271656   0.7133737648
C    5.3758288592   1.3939531989   1.7014406962
C    5.5310436334   3.3480415615   1.0263136247
C   -3.5563290467  -1.8796421402   0.2202557996
C   -4.7301942800  -1.8230282280   0.9533493233
C   -3.5566220417  -1.5907827315  -1.1379679222
C   -5.9173004217  -1.4745986671   0.3272369515
C   -4.7396258013  -1.2302507160  -1.7614093620
C   -5.9121266131  -1.1730990855  -1.0244195801
H    4.9477458104  -0.1313019137  -1.3652558819
H    2.9312338663   0.5087419053   2.4287658548
H    2.1269507575   1.9514628733   1.8296265648
H    3.4147785703   1.1737568884  -2.6331469079
H    2.0804014905   0.0408103433  -2.3474740173
H    4.4763898488  -2.5766564506  -1.4019922177
H    4.1215428456  -1.8270203978  -2.9521141850
H    2.7983949469  -2.2559729280  -1.8669980661
H    2.0422275921  -2.1845650966   0.7575375646
H   -2.1611472400   0.3607367896   0.4831783807
H   -0.0873444215  -3.3625557443   0.9659414891
H    5.5530981878   0.3949143779   2.0657681295
H    5.9511735177   4.2923564322   0.7168619028
H   -4.7226841933  -2.0536102399   2.0103594839
H   -2.6460968213  -1.6467215778  -1.7201305447
H   -6.8334040121  -1.4315319537   0.8993675453
H   -4.7400825243  -1.0030864503  -2.8183047474
*