%chk=000050526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050526

0 1
 Cl   3.209200      -6.469500      -1.077500    
 O   -5.243900      0.5525000      0.2245000    
 N   0.1049000     -0.7875000      0.9454000    
 N    2.414900     -0.8509000      0.6135000    
 N    1.295400       1.193200      0.3557000    
 C    1.255400     -8.3099999E-02  0.5918000    
 C   -1.255300     -0.4468000      0.7626000    
 C    2.588800       1.786200     -6.3999998E-03
 C    2.503700       3.265000     -0.1808000    
 C    2.603900      -2.190600      0.2112000    
 C   -1.595300      0.6528000     -2.2100000E-02
 C   -2.249600      -1.212500       1.366700    
 C   -3.935100      0.2238000      0.4003000    
 C   -2.936900      0.9886000     -0.2036000    
 C   -3.591300     -0.8769000       1.185300    
 C    2.721600       4.109500      0.9080000    
 C    2.205900       3.803700      -1.432600    
 C    3.627500      -2.949800      0.7765000    
 C    1.767000      -2.752800     -0.7520000    
 C    2.641600       5.492500      0.7447000    
 C    2.126100       5.186700      -1.595700    
 C    2.343900       6.031000     -0.5072000    
 C    3.814700      -4.273400      0.3781000    
 C    1.954000      -4.076400      -1.150500    
 C    2.977900      -4.836800     -0.5854000    
 C   -6.191700     -0.5135000      0.2605000    
 C   -7.370900     -0.1354000     -0.5729000    
 C   -7.786400     -0.8295000      -1.638100    
 H    2.967500       1.333800     -0.9325000    
 H    3.336900       1.594800      0.7736000    
 H   0.2379000      -1.692500       1.388700    
 H    3.297000     -0.3951000      0.8251000    
 H  -0.8666000       1.258900     -0.5461000    
 H   -1.994500      -2.068600       1.985900    
 H   -3.199700       1.842000     -0.8229000    
 H   -4.335000      -1.481500       1.695700    
 H    2.951700       3.703100       1.889300    
 H    2.031600       3.156400      -2.288000    
 H    4.285300      -2.521900       1.528700    
 H   0.9761000      -2.178200      -1.225800    
 H    2.810400       6.150200       1.592400    
 H    1.893500       5.606100      -2.570200    
 H    4.616600      -4.854000      0.8270000    
 H    1.297600      -4.500800      -1.905800    
 H    2.281400       7.107800     -0.6341000    
 H   -6.520800     -0.6654000       1.294800    
 H   -5.763500      -1.449400     -0.1217000    
 H   -7.920500      0.7572000     -0.2857000    
 H   -7.275600      -1.727800      -1.966600    
 H   -8.653400     -0.5026000      -2.201800    


%chk=000050526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050526

0 1
Cl 3.413258 -6.763292 -0.983291
O -5.198053 0.541540 -0.125275
N 0.215780 -0.871931 0.792368
N 2.566241 -0.978709 0.638917
N 1.422987 1.142777 0.414499
C 1.397726 -0.156565 0.585493
C -1.132514 -0.479630 0.569421
C 2.702851 1.802629 0.095588
C 2.508852 3.283387 -0.228287
C 2.718153 -2.336453 0.257497
C -1.514570 0.805132 0.091460
C -2.141637 -1.443171 0.827751
C -3.875582 0.129690 0.130430
C -2.872289 1.094681 -0.129118
C -3.505045 -1.149193 0.614637
C 1.362436 3.986786 0.212085
C 3.513129 3.984416 -0.941578
C 3.799619 -3.082938 0.804162
C 1.857295 -2.965427 -0.687202
C 1.224229 5.368318 -0.053747
C 3.377694 5.365342 -1.208136
C 2.230522 6.063519 -0.763606
C 4.021188 -4.421732 0.422483
C 2.065680 -4.311342 -1.056009
C 3.143466 -5.025504 -0.498713
C -6.275068 -0.422167 0.179356
C -7.585090 0.276551 -0.069529
C -8.597279 -0.246175 -0.803177
H 3.222473 1.306891 -0.755681
H 3.408255 1.746309 0.962442
H 0.338219 -1.818427 1.157624
H 3.404740 -0.510643 0.986109
H -0.738769 1.550977 -0.088711
H -1.863524 -2.439527 1.196338
H -3.177261 2.078131 -0.500261
H -4.251815 -1.921027 0.821985
H 0.590343 3.433958 0.755610
H 4.403514 3.448450 -1.296747
H 4.467793 -2.617124 1.538301
H 1.044356 -2.401998 -1.153692
H 0.331191 5.901623 0.292300
H 4.160154 5.893321 -1.765315
H 4.856211 -4.987031 0.846124
H 1.404009 -4.788059 -1.785174
H 2.121753 7.134037 -0.971564
H -6.191430 -0.726102 1.246271
H -6.175215 -1.326174 -0.455412
H -7.691256 1.258503 0.410704
H -8.505661 -1.217545 -1.305094
H -9.548160 0.283519 -0.924634


