%chk=000052927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052927

1 1
 Cl -0.6407000       4.426500       1.726700    
 O   -3.587600      -2.039800      -2.091300    
 O    3.823800       1.412100      -1.124400    
 O    5.128000     -0.6626000      0.1800000    
 N   -1.169200      -1.632500      0.2537000    
 N   -2.961700      7.1800001E-02  -1.549500    
 C   -2.649900      -1.791800      8.5400000E-02
 C  -0.4141000      -2.922700      0.4882000    
 C  -0.5332000     -0.5002000      0.1557000    
 C   0.8061000      -2.668700       1.361300    
 C   0.9722000     -0.5098000      0.1278000    
 C    1.632900      -1.584500      0.7400000    
 C   -3.423500      -1.262000       1.282600    
 C   -1.241600      0.8127000      7.9899997E-02
 C   -3.074200      -1.267700      -1.273700    
 C   -2.303200       1.060200     -0.7991000    
 C    1.716500      0.4832000     -0.5196000    
 C    3.030400      -1.620300      0.7698000    
 C   -4.896400      -1.623700       1.201500    
 C  -0.7574000       1.860700      0.8841000    
 C    3.111400      0.4322000     -0.5000000    
 C    3.767100     -0.6111000      0.1518000    
 C   -2.766400       2.375600     -0.9624000    
 C   -1.262000       3.153400      0.7504000    
 C   -2.251500       3.415400     -0.1894000    
 C    4.172000       2.555300     -0.3463000    
 C    5.772300      -1.361700     -0.8831000    
 H   -2.831000      -2.874400      3.5100002E-02
 H  -0.1510000      -3.317100     -0.4998000    
 H   -1.079900      -3.629900      0.9940000    
 H    1.382500      -3.596400       1.452000    
 H   0.5106000      -2.357500       2.371000    
 H   -3.349800     -0.1769000       1.394300    
 H   -3.012300      -1.690300       2.206000    
 H    1.229600       1.296400      -1.050800    
 H   -3.476300      0.3985000      -2.363900    
 H    3.544800      -2.440900       1.263700    
 H   -5.378000      -1.152300      0.3392000    
 H   -5.034600      -2.707000       1.125500    
 H   -5.417700      -1.281800       2.101600    
 H   3.3199999E-02   1.673300       1.608600    
 H   -3.566300       2.596300      -1.666300    
 H   -2.646200       4.419500     -0.3201000    
 H    4.798600       2.267000      0.5036000    
 H    3.271200       3.067200      7.3000002E-03
 H    4.738400       3.242300     -0.9810000    
 H    5.473400      -2.414700     -0.8862000    
 H    6.852700      -1.305300     -0.7248000    
 H    5.535500     -0.9008000      -1.847300    


%chk=000052927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052927

1 1
Cl -0.521961 4.518506 1.373298
O -3.969735 -2.207943 -1.840465
O 3.823053 1.394676 -1.028764
O 5.124248 -1.031433 0.154655
N -1.264867 -1.724144 0.274699
N -2.992768 -0.119724 -1.615517
C -2.762366 -1.793391 0.249547
C -0.543117 -3.038330 0.386096
C -0.552312 -0.581630 0.115491
C 0.708234 -2.891382 1.261594
C 0.910511 -0.649870 0.117818
C 1.575424 -1.788547 0.690257
C -3.464142 -1.073866 1.438470
C -1.232616 0.723665 -0.052673
C -3.290026 -1.405938 -1.152520
C -2.356329 0.934178 -0.915917
C 1.707425 0.388723 -0.451829
C 2.970900 -1.851375 0.691772
C -4.981688 -1.362202 1.448680
C -0.695883 1.844377 0.648973
C 3.107705 0.328174 -0.449345
C 3.764483 -0.826449 0.100530
C -2.841775 2.252636 -1.123421
C -1.220643 3.128081 0.453880
C -2.280534 3.352283 -0.453353
C 4.432963 2.331226 -0.044423
C 6.022670 -0.629791 -0.969309
H -3.016274 -2.863107 0.328795
H -0.273624 -3.374879 -0.634476
H -1.243172 -3.769304 0.818130
H 1.247780 -3.853084 1.284161
H 0.416288 -2.658976 2.305336
H -3.289044 0.014134 1.416711
H -3.004465 -1.456318 2.370098
H 1.251608 1.260014 -0.929565
H -3.456240 0.113512 -2.501887
H 3.497633 -2.713333 1.112902
H -5.482817 -0.973993 0.544340
H -5.191205 -2.445225 1.508001
H -5.448880 -0.879475 2.323814
H 0.125175 1.694929 1.354590
H -3.687232 2.412470 -1.801223
H -2.672023 4.360547 -0.614396
H 5.146049 1.804694 0.617014
H 3.643152 2.813073 0.560251
H 4.957834 3.084695 -0.648439
H 5.995845 -1.435685 -1.722289
H 7.022942 -0.564257 -0.519735
H 5.711315 0.324262 -1.418557


