! 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   0.1140667988  -0.2080578681  -2.7024222233
Cl   4.1812282037  -2.1432286672   0.1429753236
O   -2.1977926711  -0.1740949865  -0.8327433147
O   -1.8806089758   0.3101807084   1.3100033090
N   -0.1531886177   2.5551147168   0.4420439832
N    1.0777732087   2.6977290072  -0.0534075454
N    0.9913191903   3.4413344592   2.0560813263
C   -1.2980542710   0.4181628598   0.0424563689
C   -2.7566467273  -1.2916572297  -0.1538846525
C   -2.6830113884  -0.8635255883   1.3210651081
C   -1.1885771807   1.9028753145  -0.3166741178
C    0.0686141170  -0.2679477645   0.0311219994
C   -4.1549695231  -1.5577358443  -0.6686838117
C   -4.7731350749  -2.7858638700  -0.0174950883
C    0.7651846410  -0.5637516477  -1.1385379024
C    0.6981179461  -0.5640553116   1.2360244935
C    2.0241809195  -1.1438184759  -1.1142267823
C    1.9564123827  -1.1386912964   1.2918793047
C   -0.1896511183   2.9950941891   1.7025361828
C    2.6093661706  -1.4260054044   0.1074208568
C    1.7275150544   3.2340871856   0.9460718957
H   -2.1285205541  -2.1757767204  -0.3235228679
H   -3.6613210859  -0.6034562701   1.7331410181
H   -2.2400519521  -1.6383996414   1.9513036179
H   -2.1442547843   2.3902371574  -0.1222390657
H   -0.9555676236   2.0284301218  -1.3714437905
H   -4.1142707346  -1.7025352098  -1.7510687067
H   -4.7799833798  -0.6789660460  -0.4856130222
H   -4.1797288713  -3.6817336794  -0.2083872293
H   -4.8669009596  -2.6761013345   1.0648480057
H   -5.7740195760  -2.9671100268  -0.4094651173
H    0.2001999258  -0.3370561856   2.1680201152
H    2.5404436951  -1.3658806313  -2.0376978337
H    2.4132940958  -1.3535289728   2.2477741291
H   -1.0826367966   2.9794641294   2.3071840196
H    2.7726780035   3.4915632921   0.8717708246
*