! 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  -4.7226641764  -0.4754363011  -0.0362175342
O    1.8291213840  -1.2709928789  -1.1512783580
N    2.9040096688  -0.4148966324  -0.8028515446
N   -0.3996386336   2.5361275305   1.0599835981
C    2.4835850307   0.1579488555   0.4815039838
C    1.8639526219  -1.0573494356   1.1832692839
C    1.1641216736  -1.7568818934   0.0199322927
C    1.4383831761   1.2339257743   0.2138410789
C    3.6392095626   0.7700953879   1.2618234391
C   -0.3140972241  -1.4509713061  -0.0555100886
C    4.1214708774  -1.2079182952  -0.7632897689
C    1.3345912240   1.8887705506  -1.0055246587
C    0.5496019330   1.6223003870   1.2116306906
C   -1.1438986827  -1.9195101517   0.9598059941
C   -0.8786807783  -0.7021478231  -1.0803100336
C    0.3449423014   2.8425169417  -1.1824065174
C   -2.4981463078  -1.6286722227   0.9749418435
C   -2.2324558802  -0.3980367725  -1.0791713109
C   -0.5060849928   3.1206725274  -0.1280960237
C   -3.0309386976  -0.8597918252  -0.0480482106
H    2.6511910835  -1.6860286529   1.6015652871
H    1.1888651764  -0.8118322258   1.9994508696
H    1.2983049511  -2.8418305780   0.0847244198
H    3.2565821643   1.2324864534   2.1714596438
H    4.1425131735   1.5474034276   0.6859074460
H    4.3752470146   0.0244707845   1.5614203418
H    4.9719786084  -0.5448776089  -0.6160717321
H    4.2555625234  -1.6839846611  -1.7330777253
H    4.1493732912  -1.9858401748   0.0073793802
H    2.0045897081   1.6449818429  -1.8175117679
H    0.6023314419   1.1725835615   2.1970460777
H   -0.7320487469  -2.5172032128   1.7645695178
H   -0.2689026982  -0.3321235249  -1.8911004170
H    0.2306027896   3.3577454342  -2.1262564998
H   -3.1251850233  -1.9958991009   1.7758962705
H   -2.6527861550   0.1964964163  -1.8788112723
H   -1.2973020081   3.8526061484  -0.2403080213
*