%chk=000054601.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054601

0 1
 Cl  -6.435600     -0.8177000      -1.128200    
 O  -0.9901000       1.381200       1.996100    
 N   1.9300001E-02  0.1535000      0.3082000    
 N    2.793300      -3.639900     -0.5082000    
 C    1.385700      0.4037000      0.7147000    
 C    2.253800     -0.8319000      0.4100000    
 C    1.766000      -2.095500       1.132300    
 C    2.678500      -3.303000      0.9055000    
 C    1.898800       1.681000      8.3400004E-02
 C    2.788600       2.472000      0.7885000    
 C    1.465800       2.028400      -1.183900    
 C   -1.064700      0.6726000      0.9958000    
 C    3.732500      -4.746500     -0.7000000    
 C    1.483500      -3.984000      -1.064400    
 C    3.260900       3.648700      0.2073000    
 C    1.938100       3.205200      -1.765200    
 C   -2.402600      0.3017000      0.4670000    
 C    2.835700       4.015300      -1.069600    
 C   -3.476100      0.2707000       1.332800    
 C   -2.528700     -3.9999999E-04 -0.8731000    
 C   -4.732100     -7.8100003E-02  0.8360000    
 C   -3.784600     -0.3490000      -1.369800    
 C   -4.886300     -0.3879000     -0.5152000    
 H    1.372100      0.5485000       1.803600    
 H    2.269100      -1.002600     -0.6740000    
 H    3.290600     -0.6267000      0.7065000    
 H   0.7293000      -2.329800      0.8692000    
 H    1.751800      -1.890400       2.211100    
 H    2.300000      -4.153100       1.488400    
 H    3.670600      -3.060100       1.307400    
 H  -0.1151000     -0.4501000     -0.4957000    
 H    3.127100       2.193500       1.782100    
 H   0.7831000       1.409100      -1.757400    
 H    3.401100      -5.662200     -0.1968000    
 H    4.724000      -4.480900     -0.3164000    
 H    3.858900      -4.964400      -1.766400    
 H   0.8237000      -3.113500      -1.130800    
 H   0.9802000      -4.770900     -0.4908000    
 H    1.590700      -4.340100      -2.096200    
 H    3.960400       4.279100      0.7485000    
 H    1.610700       3.488700      -2.761200    
 H    3.204300       4.930900      -1.522700    
 H   -3.371800      0.5039000       2.388100    
 H   -1.707800      5.4200001E-02  -1.580000    
 H   -5.581500     -0.1054000       1.513800    
 H   -3.892000     -0.5800000      -2.426600    


%chk=000054601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054601

0 1
Cl -5.529260 -2.107436 -2.172863
O -0.783060 1.258790 1.447833
N 0.634068 -0.216049 0.320740
N 1.095350 -2.972220 -0.135377
C 1.832048 0.391533 0.935349
C 3.053573 -0.554876 0.770574
C 2.904756 -1.977801 1.378746
C 2.502118 -3.076555 0.366783
C 2.156503 1.767450 0.337639
C 2.467514 2.859161 1.181846
C 2.205913 1.952427 -1.066614
C -0.611663 0.301293 0.620927
C 0.927747 -3.691220 -1.426087
C 0.116162 -3.464934 0.873045
C 2.834012 4.110715 0.637435
C 2.567217 3.201962 -1.615658
C -1.787293 -0.326141 -0.089374
C 2.888080 4.285642 -0.764411
C -3.069520 -0.194052 0.501518
C -1.667948 -0.987984 -1.338209
C -4.213115 -0.737580 -0.119757
C -2.803732 -1.530641 -1.979797
C -4.058309 -1.403795 -1.352370
H 1.635377 0.537539 2.018227
H 3.303174 -0.633738 -0.307158
H 3.911094 -0.040424 1.242430
H 2.198205 -1.956424 2.231989
H 3.879777 -2.287648 1.803276
H 2.667751 -4.082980 0.821679
H 3.174886 -3.005477 -0.509454
H 0.739513 -1.196325 -0.066850
H 2.399871 2.734159 2.269487
H 1.937695 1.119492 -1.728230
H 1.167313 -4.777165 -1.343433
H 1.589306 -3.247001 -2.190321
H -0.117584 -3.597294 -1.767792
H 0.221218 -2.895284 1.811096
H 0.259139 -4.546850 1.098269
H -0.909673 -3.311785 0.497464
H 3.063264 4.950381 1.303500
H 2.595160 3.334851 -2.703523
H 3.165610 5.257157 -1.189004
H -3.149018 0.354729 1.445423
H -0.692675 -1.052214 -1.831759
H -5.201885 -0.641632 0.337972
H -2.719481 -2.025955 -2.951506


