! 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 "WATER"
end
*xyz 0 1
Cl   4.9876489794   2.8974359146   1.4022716015
O   -2.5669833864  -1.6550816465   0.9937444771
N   -0.9918863366  -2.7318844104  -1.0204252305
N    0.2432632458  -2.5956636968  -1.5143305846
N    0.1082987533  -4.4490379811  -0.2626364864
C   -2.2119086806  -0.7906777554  -0.0739114808
C   -3.3304321047   0.2863209152  -0.3310313899
C   -0.9687740386   0.0204075709   0.3528713921
C   -2.8422598954   1.5273926264   0.4676641464
C   -1.5985367070   1.0942859264   1.2454173707
C   -2.0192607884  -1.7389087489  -1.2565263676
C   -0.1572129236   0.6608414005  -0.7853838105
C   -4.6953695814  -0.1860312296   0.1704027072
C   -3.4889294379   0.6469136089  -1.8117223188
C    1.1326015678   1.2337782028  -0.2703903449
C   -1.0529739066  -3.8361234284  -0.2763194471
C    1.3113211666   2.6046108021  -0.1151661220
C    2.1788503223   0.3882042459   0.0967945012
C    2.4920457108   3.1266173807   0.3962150721
C    3.3646720348   0.8883370643   0.6096295010
C    0.8625576133  -3.6422650891  -1.0322094189
C    3.5092098521   2.2599611120   0.7577022161
H   -0.2949580797  -0.6339617836   0.9144072532
H   -3.6208842975   1.9198219861   1.1239414704
H   -2.5858940270   2.3383054258  -0.2188618733
H   -0.9203062378   1.9232244446   1.4526147969
H   -1.8673849339   0.6870973347   2.2248048455
H   -1.7462132304  -1.2123094724  -2.1659941790
H   -2.9547457809  -2.2635683645  -1.4596204228
H   -0.7278806857   1.4501694954  -1.2772363749
H    0.0743982984  -0.0831143517  -1.5477289666
H   -4.7244787018  -0.3364674453   1.2495044314
H   -5.4493225600   0.5672609989  -0.0661250773
H   -5.0080394700  -1.1170338250  -0.3074551624
H   -3.8949691162  -0.1792948024  -2.3986426264
H   -4.1883945592   1.4792519587  -1.9085434077
H   -2.5566194713   0.9621471449  -2.2815010697
H   -2.5316721790  -1.1757610708   1.8279977162
H   -1.9507057364  -4.1708604386   0.2159586829
H    0.5188949195   3.2865403192  -0.3990171969
H    2.0699713195  -0.6838323109  -0.0230515782
H    2.6108001048   4.1955894541   0.5096069949
H    4.1652142690   0.2164946508   0.8880971287
H    1.8995864530  -3.8375520132  -1.2565248412
*