! 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   1.8552642580   2.4216600505   0.7995458360
Cl   5.4692496966  -1.2980336021  -0.4207070749
O   -1.1579693350  -0.8165787308  -0.1277033913
O   -0.6171305460   0.8585813864   1.2747511863
N   -2.0948740416   1.6486372595  -1.0626881880
N   -2.5121789246   2.7028735293  -0.3549161547
N   -4.2641597395   1.5491130175  -1.1536034210
C   -0.3438567872   0.3060797113   0.0127701855
C   -1.6577817596  -1.1961017052   1.1531190174
C   -1.6809108724   0.1380710532   1.8739482713
C   -3.0074858939  -1.8601974719   1.0154980903
C   -0.7074387926   1.2725275848  -1.1244469882
C    1.1330763520  -0.0671828815  -0.0770846725
C   -2.9760831983  -3.1933699522   0.2801880032
C    2.1665196088   0.8084050972   0.2519494625
C    1.4928189674  -1.3320674147  -0.5313681334
C   -4.3509145921  -3.8392071919   0.2170723292
C    3.4994590563   0.4405021557   0.1485396977
C    2.8150463183  -1.7284082303  -0.6410109089
C   -3.1480263104   0.9670310623  -1.5160256144
C    3.8103334866  -0.8323285495  -0.2959761806
C   -3.8116889826   2.5993738753  -0.4424811625
H   -0.9490116552  -1.8808321074   1.6370418502
H   -2.6359175616   0.6592896877   1.7346827761
H   -1.4928587829   0.0433874723   2.9432255585
H   -3.6988494117  -1.1722455666   0.5182394013
H   -3.3988584218  -2.0131983211   2.0262949518
H   -0.5166015901   0.7909203014  -2.0832204648
H   -0.1072869599   2.1777627061  -1.0844649338
H   -2.2754654118  -3.8674977408   0.7804385307
H   -2.5953526792  -3.0503053885  -0.7338891075
H    0.7231787381  -2.0380382956  -0.8077462916
H   -4.7445551947  -4.0329408413   1.2163868650
H   -5.0668912460  -3.1969552506  -0.2983548129
H   -4.3212054883  -4.7902022865  -0.3153062558
H    4.2800925759   1.1399298897   0.4128850647
H    3.0555475606  -2.7220406082  -0.9914924241
H   -3.0575934660   0.0792618452  -2.1200458747
H   -4.4663975043   3.3203927873   0.0208346022
*
