%chk=000059338.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059338

0 1
 Cl -7.5499997E-02   4.316500      -1.994900    
 O   -3.679000      -1.579500       2.070800    
 O    4.032700      0.7368000       1.657900    
 O    5.066400     -0.8617000     -0.3658000    
 N   -1.327600      -1.508400     -0.2968000    
 N   -3.121500      0.5242000       1.374100    
 C  -0.5684000     -0.3944000      0.3234000    
 C   -2.794300      -1.382100     -0.1853000    
 C  -0.9025000      -1.690300      -1.696700    
 C   0.9424000     -0.5344000      0.1410000    
 C   0.5561000      -2.148100      -1.759600    
 C    1.469300      -1.340200     -0.8811000    
 C   -1.133000      0.9930000     -4.1000000E-03
 C   -3.475100      -2.743000     -0.4018000    
 C   -3.206700     -0.8485000       1.197700    
 C   -2.331100       1.410400      0.6127000    
 C    1.822300      0.1572000      0.9916000    
 C    2.858400      -1.445300      -1.037300    
 C  -0.4636000       1.903800     -0.8381000    
 C   -4.981600      -2.606500     -0.3789000    
 C    3.202400      5.2700002E-02  0.8226000    
 C    3.720000     -0.7470000     -0.1925000    
 C   -2.757700       2.739400      0.5105000    
 C  -0.9258000       3.213500     -0.9829000    
 C   -2.058100       3.636500     -0.2929000    
 C    4.407500       2.055100       1.263000    
 C    5.724100      -1.909800      0.3434000    
 H  -0.6801000     -0.5281000       1.410500    
 H   -3.176300     -0.6826000     -0.9426000    
 H   -1.032400     -0.7610000      -2.266800    
 H   -1.492200      -2.451000      -2.215900    
 H   0.8981000      -2.092900      -2.800000    
 H   0.6205000      -3.196900      -1.442300    
 H   -3.161600      -3.466600      0.3611000    
 H   -3.206200      -3.175700      -1.369900    
 H    1.426000      0.7834000       1.788100    
 H   -3.690600      0.9351000       2.109500    
 H    3.268600      -2.079900      -1.819800    
 H   0.4394000       1.604900      -1.364700    
 H   -5.386800      -2.342900      0.6003000    
 H   -5.321500      -1.857100      -1.101800    
 H   -5.440300      -3.561200     -0.6599000    
 H   -3.658000       3.074500       1.019700    
 H   -2.416700       4.658600     -0.3833000    
 H    3.524200       2.696600       1.181100    
 H    4.945700       2.033400      0.3102000    
 H    5.069500       2.467300       2.029500    
 H    6.791100      -1.865300      0.1085000    
 H    5.337400      -2.885200      3.1599998E-02
 H    5.598000      -1.783000       1.423200    


%chk=000059338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059338

0 1
Cl -0.118700 4.381224 -2.045285
O -3.781732 -1.599815 2.186990
O 4.033826 0.687496 1.719749
O 5.074685 -0.938009 -0.489773
N -1.385529 -1.465250 -0.328105
N -3.099307 0.496133 1.505999
C -0.615374 -0.403176 0.391972
C -2.870361 -1.404588 -0.120184
C -1.004160 -1.518668 -1.764937
C 0.883188 -0.549661 0.134635
C 0.433619 -2.051234 -1.882878
C 1.383999 -1.316495 -0.949357
C -1.153021 1.012328 0.082129
C -3.511307 -2.795470 -0.339471
C -3.253081 -0.880419 1.292199
C -2.390361 1.409414 0.670369
C 1.790232 0.113037 0.996122
C 2.785335 -1.429976 -1.120924
C -0.477535 1.928511 -0.757094
C -5.036262 -2.730529 -0.567901
C 3.181475 0.017151 0.810042
C 3.688353 -0.792831 -0.249298
C -2.899572 2.715160 0.468626
C -1.011966 3.213324 -0.963705
C -2.207218 3.633014 -0.348440
C 4.869544 1.747745 1.108007
C 5.823077 -1.604160 0.602908
H -0.784841 -0.578115 1.473065
H -3.325432 -0.676258 -0.841111
H -1.089682 -0.517336 -2.253613
H -1.695455 -2.196037 -2.292780
H 0.783441 -1.968400 -2.930105
H 0.431658 -3.127972 -1.623016
H -3.288767 -3.414870 0.546518
H -3.024610 -3.279828 -1.206109
H 1.427245 0.729576 1.826252
H -3.533806 0.846848 2.365928
H 3.200155 -2.033746 -1.936102
H 0.479468 1.648788 -1.206789
H -5.549592 -2.319064 0.318603
H -5.289143 -2.100929 -1.443131
H -5.445656 -3.740318 -0.751027
H -3.845885 3.009567 0.936073
H -2.595399 4.642122 -0.511833
H 4.226669 2.557065 0.712503
H 5.496742 1.337581 0.295941
H 5.497593 2.133630 1.925331
H 6.876941 -1.590528 0.285878
H 5.476719 -2.649038 0.715958
H 5.695688 -1.062695 1.557470


